smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000025029427 484371791 /nfs/dbraw/zinc/37/17/91/484371791.db2.gz DWCDSOVQLXFJGX-NSHDSACASA-N 0 1 361.314 -0.025 20 5 FBBDMN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000025029433 483501468 /nfs/dbraw/zinc/50/14/68/483501468.db2.gz DWCDSOVQLXFJGX-LLVKDONJSA-N 0 1 361.314 -0.025 20 5 FBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000045046154 483692910 /nfs/dbraw/zinc/69/29/10/483692910.db2.gz XLSURSZWSJDYHY-OLZOCXBDSA-N 0 1 360.436 -0.083 20 5 FBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000045046156 483692645 /nfs/dbraw/zinc/69/26/45/483692645.db2.gz XLSURSZWSJDYHY-STQMWFEESA-N 0 1 360.436 -0.083 20 5 FBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000045046158 483692595 /nfs/dbraw/zinc/69/25/95/483692595.db2.gz XLSURSZWSJDYHY-CHWSQXEVSA-N 0 1 360.436 -0.083 20 5 FBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000045046160 483692900 /nfs/dbraw/zinc/69/29/00/483692900.db2.gz XLSURSZWSJDYHY-QWHCGFSZSA-N 0 1 360.436 -0.083 20 5 FBBDMN CN(C)CCNS(=O)(=O)c1ccc(N2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000045287713 483634888 /nfs/dbraw/zinc/63/48/88/483634888.db2.gz ZIXNGNIIKRHVFV-UHFFFAOYSA-N 0 1 371.419 -0.629 20 5 FBBDMN CNC(=O)CN(C)c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000045438509 483636239 /nfs/dbraw/zinc/63/62/39/483636239.db2.gz DYMFKTULIZKWLZ-UHFFFAOYSA-N 0 1 373.435 -0.383 20 5 FBBDMN CS(=O)(=O)c1ccc(NCCNC(=O)c2cnn[nH]2)c([N+](=O)[O-])c1 ZINC000047816425 483661142 /nfs/dbraw/zinc/66/11/42/483661142.db2.gz VIYKERISWGZWAC-UHFFFAOYSA-N 0 1 354.348 -0.042 20 5 FBBDMN Cc1[nH]nc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000064354524 484439568 /nfs/dbraw/zinc/43/95/68/484439568.db2.gz NPPKWZWZBWRGJM-UHFFFAOYSA-N 0 1 366.378 -0.757 20 5 FBBDMN CN(C)CC(=O)N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102488297 484513030 /nfs/dbraw/zinc/51/30/30/484513030.db2.gz SBKNEHHZLMJHIB-UHFFFAOYSA-N 0 1 352.395 -0.241 20 5 FBBDMN CCN(CC)S(=O)(=O)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000116204005 662150757 /nfs/dbraw/zinc/15/07/57/662150757.db2.gz CGSWJKJCTMWVDU-UHFFFAOYSA-N 0 1 374.423 -0.029 20 5 FBBDMN Cc1[nH]nc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000116448560 243159990 /nfs/dbraw/zinc/15/99/90/243159990.db2.gz CGEOWGDJVMGOMJ-UHFFFAOYSA-N 0 1 364.362 -0.467 20 5 FBBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000132498350 484962853 /nfs/dbraw/zinc/96/28/53/484962853.db2.gz QURIBHRXMKCQOK-UHFFFAOYSA-N 0 1 352.395 -0.278 20 5 FBBDMN CN1CCN(c2cc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)ccn2)CC1 ZINC000139427118 484061065 /nfs/dbraw/zinc/06/10/65/484061065.db2.gz MMDKNXHVDUZHPO-UHFFFAOYSA-N 0 1 360.378 -0.351 20 5 FBBDMN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000157160735 485266658 /nfs/dbraw/zinc/26/66/58/485266658.db2.gz POZSCYONNRTJNA-UHFFFAOYSA-N 0 1 350.379 -0.008 20 5 FBBDMN CCc1[nH]nc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1[N+](=O)[O-] ZINC000171368546 535998471 /nfs/dbraw/zinc/99/84/71/535998471.db2.gz QQPNCIYMZYTVEL-UHFFFAOYSA-N 0 1 350.379 -0.083 20 5 FBBDMN CC(C)CN(C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000226513250 660107100 /nfs/dbraw/zinc/10/71/00/660107100.db2.gz OCVITZRFLVAZTH-IJLUTSLNSA-N 0 1 362.404 -0.134 20 5 FBBDMN CN(CC(=O)N1CCNCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261597702 243280684 /nfs/dbraw/zinc/28/06/84/243280684.db2.gz AFVCRNLRHDPIOH-UHFFFAOYSA-N 0 1 360.367 -0.214 20 5 FBBDMN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)c([N+](=O)[O-])c1 ZINC000261605490 243281803 /nfs/dbraw/zinc/28/18/03/243281803.db2.gz CPIPZLYNGNCMQI-UHFFFAOYSA-N 0 1 372.403 -0.344 20 5 FBBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N1CCNCC1 ZINC000261625010 243279623 /nfs/dbraw/zinc/27/96/23/243279623.db2.gz GQBNHQXJNHYUBB-UHFFFAOYSA-N 0 1 372.403 -0.344 20 5 FBBDMN CN(CC(=O)N1CCNCC1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000261632962 243280701 /nfs/dbraw/zinc/28/07/01/243280701.db2.gz HPBPAMWHYBTKOG-UHFFFAOYSA-N 0 1 356.404 -0.134 20 5 FBBDMN CN(CC(=O)N1CCNCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261692222 243283351 /nfs/dbraw/zinc/28/33/51/243283351.db2.gz NUOPHGSZVJHKCI-UHFFFAOYSA-N 0 1 360.367 -0.214 20 5 FBBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(=O)N1CCNCC1 ZINC000261743127 243284528 /nfs/dbraw/zinc/28/45/28/243284528.db2.gz TTZUPOSIMPTQPS-UHFFFAOYSA-N 0 1 372.403 -0.344 20 5 FBBDMN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000261773811 243286050 /nfs/dbraw/zinc/28/60/50/243286050.db2.gz XDAYEIHSXOPRCT-UHFFFAOYSA-N 0 1 372.403 -0.344 20 5 FBBDMN CN(CC(=O)N1CCNCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261821051 243285908 /nfs/dbraw/zinc/28/59/08/243285908.db2.gz HHFFTOBIHBIAPA-UHFFFAOYSA-N 0 1 356.404 -0.212 20 5 FBBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC(=O)N1CCNCC1 ZINC000261869374 243288442 /nfs/dbraw/zinc/28/84/42/243288442.db2.gz LDGKRQFATIBIHJ-UHFFFAOYSA-N 0 1 356.404 -0.044 20 5 FBBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC(=O)N1CCNCC1 ZINC000261883996 243290026 /nfs/dbraw/zinc/29/00/26/243290026.db2.gz MXIJBVDGSQJFGE-UHFFFAOYSA-N 0 1 356.404 -0.044 20 5 FBBDMN C[C@H]1CNCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261932329 243289113 /nfs/dbraw/zinc/28/91/13/243289113.db2.gz DGTLBVHWFYUZKU-JTQLQIEISA-N 0 1 371.419 -0.136 20 5 FBBDMN C[C@@H]1CNCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261932336 243288916 /nfs/dbraw/zinc/28/89/16/243288916.db2.gz DGTLBVHWFYUZKU-SNVBAGLBSA-N 0 1 371.419 -0.136 20 5 FBBDMN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000261937452 243291838 /nfs/dbraw/zinc/29/18/38/243291838.db2.gz UENSINKHDILHJI-UHFFFAOYSA-N 0 1 356.404 -0.044 20 5 FBBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(=O)N1CCNCC1 ZINC000261960786 243292985 /nfs/dbraw/zinc/29/29/85/243292985.db2.gz XSOTVDRDCJAVGH-UHFFFAOYSA-N 0 1 356.404 -0.044 20 5 FBBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N1CCNCC1 ZINC000261968962 243292731 /nfs/dbraw/zinc/29/27/31/243292731.db2.gz YRRVMANKYQKRGZ-UHFFFAOYSA-N 0 1 356.404 -0.044 20 5 FBBDMN O=C(C[C@@H]1COCCN1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262292826 243307168 /nfs/dbraw/zinc/30/71/68/243307168.db2.gz YTJUIOYRYBSRSM-LLVKDONJSA-N 0 1 372.403 -0.632 20 5 FBBDMN O=C(C[C@H]1COCCN1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262292835 243308965 /nfs/dbraw/zinc/30/89/65/243308965.db2.gz YTJUIOYRYBSRSM-NSHDSACASA-N 0 1 372.403 -0.632 20 5 FBBDMN O=C(C[C@@H]1COCCN1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262314917 243311513 /nfs/dbraw/zinc/31/15/13/243311513.db2.gz CDUHRVXZJJMKBO-LLVKDONJSA-N 0 1 372.403 -0.632 20 5 FBBDMN O=C(C[C@H]1COCCN1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262314922 243309530 /nfs/dbraw/zinc/30/95/30/243309530.db2.gz CDUHRVXZJJMKBO-NSHDSACASA-N 0 1 372.403 -0.632 20 5 FBBDMN NS(=O)(=O)c1ccc(NCCC(=O)N2CCNCC2)c([N+](=O)[O-])c1 ZINC000262468337 243317893 /nfs/dbraw/zinc/31/78/93/243317893.db2.gz FVGCPBFZYJHKKA-UHFFFAOYSA-N 0 1 357.392 -0.524 20 5 FBBDMN O=C(C[C@@H]1COCCN1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262496702 243322202 /nfs/dbraw/zinc/32/22/02/243322202.db2.gz IGSHWCSJKMODMO-LLVKDONJSA-N 0 1 372.403 -0.632 20 5 FBBDMN O=C(C[C@H]1COCCN1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262496703 243320641 /nfs/dbraw/zinc/32/06/41/243320641.db2.gz IGSHWCSJKMODMO-NSHDSACASA-N 0 1 372.403 -0.632 20 5 FBBDMN C[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1 ZINC000262593670 243326543 /nfs/dbraw/zinc/32/65/43/243326543.db2.gz GCJIHXPIQOAAHR-JTQLQIEISA-N 0 1 371.419 -0.136 20 5 FBBDMN C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1 ZINC000262593672 243325585 /nfs/dbraw/zinc/32/55/85/243325585.db2.gz GCJIHXPIQOAAHR-SNVBAGLBSA-N 0 1 371.419 -0.136 20 5 FBBDMN CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000262612763 243327911 /nfs/dbraw/zinc/32/79/11/243327911.db2.gz DYGWTPSSNDOQJD-CYBMUJFWSA-N 0 1 372.403 -0.485 20 5 FBBDMN CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000262612765 243329473 /nfs/dbraw/zinc/32/94/73/243329473.db2.gz DYGWTPSSNDOQJD-ZDUSSCGKSA-N 0 1 372.403 -0.485 20 5 FBBDMN CN(C)CC(=O)N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000263655225 243351432 /nfs/dbraw/zinc/35/14/32/243351432.db2.gz CNWKSAAMNXVTAV-UHFFFAOYSA-N 0 1 371.419 -0.548 20 5 FBBDMN CCS(=O)(=O)NCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000263709910 243354590 /nfs/dbraw/zinc/35/45/90/243354590.db2.gz UACDIWVVRNSGAN-UHFFFAOYSA-N 0 1 355.369 -0.049 20 5 FBBDMN CN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000263724556 243358846 /nfs/dbraw/zinc/35/88/46/243358846.db2.gz DTWPBOXYTFEMCH-UHFFFAOYSA-N 0 1 356.404 -0.011 20 5 FBBDMN NS(=O)(=O)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000263727428 243358233 /nfs/dbraw/zinc/35/82/33/243358233.db2.gz OUQUGTAXBBEPAC-UHFFFAOYSA-N 0 1 354.348 -0.568 20 5 FBBDMN CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263761365 243358629 /nfs/dbraw/zinc/35/86/29/243358629.db2.gz LBYPGFUUAFUDRJ-UHFFFAOYSA-N 0 1 356.404 -0.011 20 5 FBBDMN O=C1CNC(=O)N1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000264464818 243398224 /nfs/dbraw/zinc/39/82/24/243398224.db2.gz HLFGDAYHYUBJJK-UHFFFAOYSA-N 0 1 360.323 -0.046 20 5 FBBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000264478545 243396909 /nfs/dbraw/zinc/39/69/09/243396909.db2.gz HMHQAQHHNIRCRC-GFCCVEGCSA-N 0 1 352.395 -0.054 20 5 FBBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000264478547 243397299 /nfs/dbraw/zinc/39/72/99/243397299.db2.gz HMHQAQHHNIRCRC-LBPRGKRZSA-N 0 1 352.395 -0.054 20 5 FBBDMN NC(=O)[C@H]1CCCN1CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264601461 483480838 /nfs/dbraw/zinc/48/08/38/483480838.db2.gz NLVIGLDYKFGQRV-GFCCVEGCSA-N 0 1 371.419 -0.006 20 5 FBBDMN NC(=O)[C@@H]1CCCN1CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264601462 483480655 /nfs/dbraw/zinc/48/06/55/483480655.db2.gz NLVIGLDYKFGQRV-LBPRGKRZSA-N 0 1 371.419 -0.006 20 5 FBBDMN CCc1[nH]nc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] ZINC000264669982 483509853 /nfs/dbraw/zinc/50/98/53/483509853.db2.gz LEGWXJKCGHOSII-UHFFFAOYSA-N 0 1 364.362 -0.557 20 5 FBBDMN COC(=O)CN(CCN1CCOCC1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264708663 483532949 /nfs/dbraw/zinc/53/29/49/483532949.db2.gz DPQISAKTASUBHT-UHFFFAOYSA-N 0 1 355.351 -0.426 20 5 FBBDMN COCCNC(=O)CN1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000265241643 484060401 /nfs/dbraw/zinc/06/04/01/484060401.db2.gz IPWUWTQTBSGPCJ-UHFFFAOYSA-N 0 1 354.367 -0.853 20 5 FBBDMN NC(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265509320 484241392 /nfs/dbraw/zinc/24/13/92/484241392.db2.gz DNXVICCKNNPNCW-CYBMUJFWSA-N 0 1 363.374 -0.011 20 5 FBBDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265509321 484239832 /nfs/dbraw/zinc/23/98/32/484239832.db2.gz DNXVICCKNNPNCW-ZDUSSCGKSA-N 0 1 363.374 -0.011 20 5 FBBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c1[N+](=O)[O-] ZINC000265855053 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ZINC000594754511 483939398 /nfs/dbraw/zinc/93/93/98/483939398.db2.gz RHIYZXAPTBFERS-VIFPVBQESA-N 0 1 371.375 -0.995 20 5 FBBDMN CC(C)(CNS(=O)(=O)c1ncccc1[N+](=O)[O-])NS(C)(=O)=O ZINC000594754965 483937578 /nfs/dbraw/zinc/93/75/78/483937578.db2.gz QDQJYTYMHHIDLA-UHFFFAOYSA-N 0 1 352.394 -0.404 20 5 FBBDMN CCN(CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-])S(C)(=O)=O ZINC000594755028 483937678 /nfs/dbraw/zinc/93/76/78/483937678.db2.gz FKHFURZHVIQJEF-UHFFFAOYSA-N 0 1 366.421 -0.060 20 5 FBBDMN CN1CCN(C(=O)CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594756255 483939952 /nfs/dbraw/zinc/93/99/52/483939952.db2.gz WJHOMGWLESEBSP-UHFFFAOYSA-N 0 1 357.392 -0.568 20 5 FBBDMN O=C1NC(=O)[C@]2(CCC[C@@H]2CNS(=O)(=O)c2ncccc2[N+](=O)[O-])N1 ZINC000594757730 483941160 /nfs/dbraw/zinc/94/11/60/483941160.db2.gz PJYVJHCIUBWYLZ-AMIZOPFISA-N 0 1 369.359 -0.354 20 5 FBBDMN O=C1NC(=O)[C@]2(CCC[C@H]2CNS(=O)(=O)c2ncccc2[N+](=O)[O-])N1 ZINC000594757753 483941388 /nfs/dbraw/zinc/94/13/88/483941388.db2.gz PJYVJHCIUBWYLZ-ISVAXAHUSA-N 0 1 369.359 -0.354 20 5 FBBDMN O=C1NC(=O)[C@@]2(CCC[C@@H]2CNS(=O)(=O)c2ncccc2[N+](=O)[O-])N1 ZINC000594757757 483940744 /nfs/dbraw/zinc/94/07/44/483940744.db2.gz PJYVJHCIUBWYLZ-OQPBUACISA-N 0 1 369.359 -0.354 20 5 FBBDMN O=C1NC(=O)[C@@]2(CCC[C@H]2CNS(=O)(=O)c2ncccc2[N+](=O)[O-])N1 ZINC000594757761 483940875 /nfs/dbraw/zinc/94/08/75/483940875.db2.gz PJYVJHCIUBWYLZ-SDBXPKJASA-N 0 1 369.359 -0.354 20 5 FBBDMN CN(C)CCN(CCOCCO)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761891 483942267 /nfs/dbraw/zinc/94/22/67/483942267.db2.gz LQZRSOWSTBJYJE-UHFFFAOYSA-N 0 1 362.408 -0.449 20 5 FBBDMN CC[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000594763052 483944771 /nfs/dbraw/zinc/94/47/71/483944771.db2.gz KQZSOPWAVXLCNW-JTQLQIEISA-N 0 1 358.376 -0.095 20 5 FBBDMN CC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000594763059 483944116 /nfs/dbraw/zinc/94/41/16/483944116.db2.gz KQZSOPWAVXLCNW-SNVBAGLBSA-N 0 1 358.376 -0.095 20 5 FBBDMN CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594765021 483943810 /nfs/dbraw/zinc/94/38/10/483943810.db2.gz GJUKNSDJKGMLRA-SECBINFHSA-N 0 1 364.405 -0.308 20 5 FBBDMN CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594765281 483945149 /nfs/dbraw/zinc/94/51/49/483945149.db2.gz JDRBVBIAYNDVOJ-SECBINFHSA-N 0 1 364.405 -0.450 20 5 FBBDMN CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594765282 483944190 /nfs/dbraw/zinc/94/41/90/483944190.db2.gz JDRBVBIAYNDVOJ-VIFPVBQESA-N 0 1 364.405 -0.450 20 5 FBBDMN CN(C)C(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])O1 ZINC000594769134 483946660 /nfs/dbraw/zinc/94/66/60/483946660.db2.gz BQGSXJHFBMBCNA-GXSJLCMTSA-N 0 1 358.376 -0.096 20 5 FBBDMN CN(C)C(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])O1 ZINC000594769136 483946902 /nfs/dbraw/zinc/94/69/02/483946902.db2.gz BQGSXJHFBMBCNA-KOLCDFICSA-N 0 1 358.376 -0.096 20 5 FBBDMN CN(C)C(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])O1 ZINC000594769138 483945731 /nfs/dbraw/zinc/94/57/31/483945731.db2.gz BQGSXJHFBMBCNA-MWLCHTKSSA-N 0 1 358.376 -0.096 20 5 FBBDMN CN(C)C(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])O1 ZINC000594769141 483946246 /nfs/dbraw/zinc/94/62/46/483946246.db2.gz BQGSXJHFBMBCNA-ONGXEEELSA-N 0 1 358.376 -0.096 20 5 FBBDMN CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594769236 483945896 /nfs/dbraw/zinc/94/58/96/483945896.db2.gz FJZFDXVPKQPFPK-UHFFFAOYSA-N 0 1 367.409 -0.900 20 5 FBBDMN CS(=O)(=O)N1CC(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594771205 483947643 /nfs/dbraw/zinc/94/76/43/483947643.db2.gz OHACRILDGQTCLF-UHFFFAOYSA-N 0 1 350.378 -0.841 20 5 FBBDMN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594771206 483948491 /nfs/dbraw/zinc/94/84/91/483948491.db2.gz SBZLDWUYNZULIT-BDAKNGLRSA-N 0 1 374.375 -0.276 20 5 FBBDMN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594771210 483948754 /nfs/dbraw/zinc/94/87/54/483948754.db2.gz SBZLDWUYNZULIT-DTWKUNHWSA-N 0 1 374.375 -0.276 20 5 FBBDMN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594771219 483948688 /nfs/dbraw/zinc/94/86/88/483948688.db2.gz SBZLDWUYNZULIT-IUCAKERBSA-N 0 1 374.375 -0.276 20 5 FBBDMN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594771221 483948036 /nfs/dbraw/zinc/94/80/36/483948036.db2.gz SBZLDWUYNZULIT-RKDXNWHRSA-N 0 1 374.375 -0.276 20 5 FBBDMN Cc1nc(CN2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000594772832 483946430 /nfs/dbraw/zinc/94/64/30/483946430.db2.gz MSUOQDRWLHQLCO-UHFFFAOYSA-N 0 1 367.391 -0.077 20 5 FBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1(OCCO)CCOCC1 ZINC000594778199 483951580 /nfs/dbraw/zinc/95/15/80/483951580.db2.gz CCAZUZMOGSHMLE-UHFFFAOYSA-N 0 1 361.376 -0.174 20 5 FBBDMN O=C1NC(=O)C2(CCC(NS(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)N1 ZINC000594778676 483951210 /nfs/dbraw/zinc/95/12/10/483951210.db2.gz SRPJJLACVRAFSZ-UHFFFAOYSA-N 0 1 369.359 -0.211 20 5 FBBDMN CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594779413 483952077 /nfs/dbraw/zinc/95/20/77/483952077.db2.gz MKMDNZJJCQQHDT-MRVPVSSYSA-N 0 1 352.394 -0.404 20 5 FBBDMN CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594779414 483951612 /nfs/dbraw/zinc/95/16/12/483951612.db2.gz MKMDNZJJCQQHDT-QMMMGPOBSA-N 0 1 352.394 -0.404 20 5 FBBDMN CS(=O)(=O)NC1CC(NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594780117 483951480 /nfs/dbraw/zinc/95/14/80/483951480.db2.gz FVMUCBKBNGSUMG-UHFFFAOYSA-N 0 1 350.378 -0.652 20 5 FBBDMN COC(=O)CC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)OC ZINC000594780248 483951243 /nfs/dbraw/zinc/95/12/43/483951243.db2.gz OXRDOJKTDARNJM-MRVPVSSYSA-N 0 1 361.332 -0.237 20 5 FBBDMN COC(=O)c1cn(CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])nn1 ZINC000594782458 483951395 /nfs/dbraw/zinc/95/13/95/483951395.db2.gz YLPYPDRIALXIIA-UHFFFAOYSA-N 0 1 356.320 -0.654 20 5 FBBDMN CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594796017 483958476 /nfs/dbraw/zinc/95/84/76/483958476.db2.gz QZYKUIMQXZWOKV-MRVPVSSYSA-N 0 1 350.378 -0.698 20 5 FBBDMN CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594796018 483958151 /nfs/dbraw/zinc/95/81/51/483958151.db2.gz QZYKUIMQXZWOKV-QMMMGPOBSA-N 0 1 350.378 -0.698 20 5 FBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000594797475 483958636 /nfs/dbraw/zinc/95/86/36/483958636.db2.gz XUHRQDVHBIYWGF-UHFFFAOYSA-N 0 1 353.364 -0.386 20 5 FBBDMN CCn1cc(S(=O)(=O)[N-]CCN(C)CCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000594822238 483965340 /nfs/dbraw/zinc/96/53/40/483965340.db2.gz TUQIOCUAFJICQF-UHFFFAOYSA-N 0 1 362.456 -0.027 20 5 FBBDMN CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594823741 483965220 /nfs/dbraw/zinc/96/52/20/483965220.db2.gz XWOZHONQXMZKKC-APPZFPTMSA-N 0 1 351.362 -0.920 20 5 FBBDMN CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594823742 483966040 /nfs/dbraw/zinc/96/60/40/483966040.db2.gz XWOZHONQXMZKKC-CBAPKCEASA-N 0 1 351.362 -0.920 20 5 FBBDMN CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594823743 483965249 /nfs/dbraw/zinc/96/52/49/483965249.db2.gz XWOZHONQXMZKKC-IONNQARKSA-N 0 1 351.362 -0.920 20 5 FBBDMN CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594823744 483966290 /nfs/dbraw/zinc/96/62/90/483966290.db2.gz XWOZHONQXMZKKC-VXNVDRBHSA-N 0 1 351.362 -0.920 20 5 FBBDMN CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594825455 483964096 /nfs/dbraw/zinc/96/40/96/483964096.db2.gz ADTZFUWCEFPXEH-PSASIEDQSA-N 0 1 368.364 -0.176 20 5 FBBDMN CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594825456 483964411 /nfs/dbraw/zinc/96/44/11/483964411.db2.gz ADTZFUWCEFPXEH-SCZZXKLOSA-N 0 1 368.364 -0.176 20 5 FBBDMN CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594825457 483964374 /nfs/dbraw/zinc/96/43/74/483964374.db2.gz ADTZFUWCEFPXEH-WCBMZHEXSA-N 0 1 368.364 -0.176 20 5 FBBDMN CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594825458 483963951 /nfs/dbraw/zinc/96/39/51/483963951.db2.gz ADTZFUWCEFPXEH-WPRPVWTQSA-N 0 1 368.364 -0.176 20 5 FBBDMN CN(CC1CN(C)C1)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595174299 484013820 /nfs/dbraw/zinc/01/38/20/484013820.db2.gz RYYYRJRMUWCTON-UHFFFAOYSA-N 0 1 364.406 -0.025 20 5 FBBDMN CC(C)OC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595248953 483723871 /nfs/dbraw/zinc/72/38/71/483723871.db2.gz KFMMJEYMGLKCRO-ZDUSSCGKSA-N 0 1 374.419 -0.258 20 5 FBBDMN CC(C)OC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595252640 484026958 /nfs/dbraw/zinc/02/69/58/484026958.db2.gz DBVNPGPGZLIVIC-NSHDSACASA-N 0 1 374.419 -0.258 20 5 FBBDMN CC(C)OC[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595253814 484027493 /nfs/dbraw/zinc/02/74/93/484027493.db2.gz OZQGWMXHQQGSFR-ZDUSSCGKSA-N 0 1 374.419 -0.258 20 5 FBBDMN N[C@@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1F ZINC000595279399 484029312 /nfs/dbraw/zinc/02/93/12/484029312.db2.gz KXHWYGXQGUKWEU-NXEZZACHSA-N 0 1 364.337 -0.015 20 5 FBBDMN O=C(N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1(O)CNC1 ZINC000595957529 484123123 /nfs/dbraw/zinc/12/31/23/484123123.db2.gz VRDRVHNEDCTFPS-UHFFFAOYSA-N 0 1 360.374 -0.156 20 5 FBBDMN N[C@@H]1CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[C@H]1F ZINC000595983343 484126787 /nfs/dbraw/zinc/12/67/87/484126787.db2.gz WZHCJPNJAOHKEA-VXGBXAGGSA-N 0 1 368.369 -0.148 20 5 FBBDMN CN(C)CC(=O)N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596073438 484138412 /nfs/dbraw/zinc/13/84/12/484138412.db2.gz OXOJIWIXONNCRG-UHFFFAOYSA-N 0 1 371.419 -0.548 20 5 FBBDMN COC(=O)[C@H]1CN(C)CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596273139 484175125 /nfs/dbraw/zinc/17/51/25/484175125.db2.gz NUWNXFAUNOODRF-JTQLQIEISA-N 0 1 372.403 -0.217 20 5 FBBDMN COC(=O)[C@@H]1CN(C)CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596273140 484174225 /nfs/dbraw/zinc/17/42/25/484174225.db2.gz NUWNXFAUNOODRF-SNVBAGLBSA-N 0 1 372.403 -0.217 20 5 FBBDMN NS(=O)(=O)c1ccc(N2CCN(Cc3nnc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000596294690 484176163 /nfs/dbraw/zinc/17/61/63/484176163.db2.gz INVYMNNJLSYWTF-UHFFFAOYSA-N 0 1 367.391 -0.318 20 5 FBBDMN CN(C)CCNS(=O)(=O)c1ccc(N[C@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000596312706 484178089 /nfs/dbraw/zinc/17/80/89/484178089.db2.gz YTADOOHFROLTPW-LBPRGKRZSA-N 0 1 371.419 -0.265 20 5 FBBDMN Cc1nc(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000596924490 484220435 /nfs/dbraw/zinc/22/04/35/484220435.db2.gz YNWFWRINKRTVHW-UHFFFAOYSA-N 0 1 368.375 -0.341 20 5 FBBDMN Cc1nc(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000596948826 484220605 /nfs/dbraw/zinc/22/06/05/484220605.db2.gz OKNNSCXPWQEAMR-UHFFFAOYSA-N 0 1 368.375 -0.341 20 5 FBBDMN Cc1nc(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000597262795 484228226 /nfs/dbraw/zinc/22/82/26/484228226.db2.gz SNKJRTXPFYIQBQ-UHFFFAOYSA-N 0 1 368.375 -0.341 20 5 FBBDMN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCCc1nc[nH]n1 ZINC000597610120 484232559 /nfs/dbraw/zinc/23/25/59/484232559.db2.gz PETGVTJEHQLVCO-UHFFFAOYSA-N 0 1 368.375 -0.260 20 5 FBBDMN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[N@H+]2CC[C@H]1C2 ZINC000597709512 484234427 /nfs/dbraw/zinc/23/44/27/484234427.db2.gz ZTMGNSJNXNTRKY-NSHDSACASA-N 0 1 354.388 -0.210 20 5 FBBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c1[N+](=O)[O-] ZINC000597734838 484235467 /nfs/dbraw/zinc/23/54/67/484235467.db2.gz DVTQHCNBPNNLTK-MRVPVSSYSA-N 0 1 360.396 -0.332 20 5 FBBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c1[N+](=O)[O-] ZINC000597734839 484236093 /nfs/dbraw/zinc/23/60/93/484236093.db2.gz DVTQHCNBPNNLTK-QMMMGPOBSA-N 0 1 360.396 -0.332 20 5 FBBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)c1[N+](=O)[O-] ZINC000598317624 484305662 /nfs/dbraw/zinc/30/56/62/484305662.db2.gz TZLOKEPDDKDVNM-FKTZTGRPSA-N 0 1 358.376 -0.236 20 5 FBBDMN COC(=O)c1ccnc(N2CCN(C(=O)CN(C)C)CC2)c1[N+](=O)[O-] ZINC000598586292 483472756 /nfs/dbraw/zinc/47/27/56/483472756.db2.gz DUCIAAOYCMDUEP-UHFFFAOYSA-N 0 1 351.363 -0.013 20 5 FBBDMN CN1CCN(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598586451 483472790 /nfs/dbraw/zinc/47/27/90/483472790.db2.gz VJQJHJQNQRRKJH-UHFFFAOYSA-N 0 1 351.411 -0.119 20 5 FBBDMN O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCCN(CCO)CC1 ZINC000598594898 483474979 /nfs/dbraw/zinc/47/49/79/483474979.db2.gz NQNNUARQSNAMPR-UHFFFAOYSA-N 0 1 352.395 -0.274 20 5 FBBDMN O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000598632006 483508848 /nfs/dbraw/zinc/50/88/48/483508848.db2.gz XQTCDGPIUDKFEU-NWDGAFQWSA-N 0 1 350.379 -0.523 20 5 FBBDMN O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000598632006 483508845 /nfs/dbraw/zinc/50/88/45/483508845.db2.gz XQTCDGPIUDKFEU-NWDGAFQWSA-N 0 1 350.379 -0.523 20 5 FBBDMN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(=O)N1CCNCC1 ZINC000598661568 483527588 /nfs/dbraw/zinc/52/75/88/483527588.db2.gz HYLPEAHWCOTKHY-UHFFFAOYSA-N 0 1 364.362 -0.736 20 5 FBBDMN Cc1ccc(S(=O)(=O)NCC(=O)N2CCNCC2)c(C)c1[N+](=O)[O-] ZINC000598716575 483530118 /nfs/dbraw/zinc/53/01/18/483530118.db2.gz NNRBGIJVKRJPAV-UHFFFAOYSA-N 0 1 356.404 -0.078 20 5 FBBDMN COC(=O)c1ccnc(NCCCN2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000599130501 483537330 /nfs/dbraw/zinc/53/73/30/483537330.db2.gz AIRLZYBDNDXFJT-NSHDSACASA-N 0 1 351.363 0.528 20 5 FBBDMN COC(=O)CNC(=O)c1ccc(NCCN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175667 483538829 /nfs/dbraw/zinc/53/88/29/483538829.db2.gz HBVDJRBESFVCJK-GFCCVEGCSA-N 0 1 366.374 -0.024 20 5 FBBDMN COC(=O)CNC(=O)c1ccc(NCCN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199206 483538603 /nfs/dbraw/zinc/53/86/03/483538603.db2.gz HBVDJRBESFVCJK-LBPRGKRZSA-N 0 1 366.374 -0.024 20 5 FBBDMN CC(C)CN1CCO[C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599212482 483540716 /nfs/dbraw/zinc/54/07/16/483540716.db2.gz BJFRSGWNDXOVIY-LLVKDONJSA-N 0 1 361.424 -0.037 20 5 FBBDMN CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599212483 483541120 /nfs/dbraw/zinc/54/11/20/483541120.db2.gz BJFRSGWNDXOVIY-NSHDSACASA-N 0 1 361.424 -0.037 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCS(=O)(=O)NC(C)(C)C)n1 ZINC000599213936 483540626 /nfs/dbraw/zinc/54/06/26/483540626.db2.gz SPVUVTCDBAATRR-UHFFFAOYSA-N 0 1 369.425 -0.676 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCNC(=O)c2cccnc2)n1 ZINC000599216682 483541164 /nfs/dbraw/zinc/54/11/64/483541164.db2.gz SAHXFAZKNKFKSN-UHFFFAOYSA-N 0 1 354.348 -0.568 20 5 FBBDMN CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599216845 483540376 /nfs/dbraw/zinc/54/03/76/483540376.db2.gz YDTFEKSKCWDUMU-UHFFFAOYSA-N 0 1 369.425 -0.722 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000599222649 483540991 /nfs/dbraw/zinc/54/09/91/483540991.db2.gz CSSBIKDTIDOHEP-MRVPVSSYSA-N 0 1 367.409 -0.969 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000599222650 483540820 /nfs/dbraw/zinc/54/08/20/483540820.db2.gz CSSBIKDTIDOHEP-QMMMGPOBSA-N 0 1 367.409 -0.969 20 5 FBBDMN CC(C)[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N1CCOCC1 ZINC000599223319 483540574 /nfs/dbraw/zinc/54/05/74/483540574.db2.gz RVDLRIMBYADQBB-LLVKDONJSA-N 0 1 361.424 -0.037 20 5 FBBDMN CC(C)[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N1CCOCC1 ZINC000599223320 483540498 /nfs/dbraw/zinc/54/04/98/483540498.db2.gz RVDLRIMBYADQBB-NSHDSACASA-N 0 1 361.424 -0.037 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)NCCc2ccccc2)n1 ZINC000599225346 483541230 /nfs/dbraw/zinc/54/12/30/483541230.db2.gz IOFSIQNCEULZQS-UHFFFAOYSA-N 0 1 367.387 -0.035 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC(=O)NCc2cccnc2)n1 ZINC000599225701 483542051 /nfs/dbraw/zinc/54/20/51/483542051.db2.gz MZULIOBSGBWRQC-UHFFFAOYSA-N 0 1 368.375 -0.292 20 5 FBBDMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000599226385 483542701 /nfs/dbraw/zinc/54/27/01/483542701.db2.gz WOUKCQHLNNVTAK-MRVPVSSYSA-N 0 1 357.348 -0.096 20 5 FBBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000599226386 483542524 /nfs/dbraw/zinc/54/25/24/483542524.db2.gz WOUKCQHLNNVTAK-QMMMGPOBSA-N 0 1 357.348 -0.096 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCN2CCCS2(=O)=O)n1 ZINC000599226998 483542017 /nfs/dbraw/zinc/54/20/17/483542017.db2.gz MSKFYIVTYSXLPX-UHFFFAOYSA-N 0 1 367.409 -0.968 20 5 FBBDMN CCN(CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000599227338 483541846 /nfs/dbraw/zinc/54/18/46/483541846.db2.gz SVXAEQKYCNWLEE-UHFFFAOYSA-N 0 1 369.425 -0.722 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000599229312 483542368 /nfs/dbraw/zinc/54/23/68/483542368.db2.gz AWPXBNVPRULYHT-JTQLQIEISA-N 0 1 374.423 -0.806 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000599229312 483542363 /nfs/dbraw/zinc/54/23/63/483542363.db2.gz AWPXBNVPRULYHT-JTQLQIEISA-N 0 1 374.423 -0.806 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000599229322 483541976 /nfs/dbraw/zinc/54/19/76/483541976.db2.gz AWPXBNVPRULYHT-SNVBAGLBSA-N 0 1 374.423 -0.806 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000599229322 483541971 /nfs/dbraw/zinc/54/19/71/483541971.db2.gz AWPXBNVPRULYHT-SNVBAGLBSA-N 0 1 374.423 -0.806 20 5 FBBDMN CN(C)C(=O)CN1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599229746 483542202 /nfs/dbraw/zinc/54/22/02/483542202.db2.gz YTSCASJCQNRQLF-UHFFFAOYSA-N 0 1 374.423 -0.841 20 5 FBBDMN Cn1cc(N2CC[C@@H](NS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C2=O)cn1 ZINC000599234490 483542107 /nfs/dbraw/zinc/54/21/07/483542107.db2.gz JYHWYBOFPIPWBO-SECBINFHSA-N 0 1 369.363 -0.854 20 5 FBBDMN Cn1cc(N2CC[C@H](NS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C2=O)cn1 ZINC000599234491 483542431 /nfs/dbraw/zinc/54/24/31/483542431.db2.gz JYHWYBOFPIPWBO-VIFPVBQESA-N 0 1 369.363 -0.854 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCc3c2cnn3CCO)n1 ZINC000599244480 483543985 /nfs/dbraw/zinc/54/39/85/483543985.db2.gz JRUZCECCQWMLBL-JTQLQIEISA-N 0 1 370.391 -0.127 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCc3c2cnn3CCO)n1 ZINC000599244481 483544218 /nfs/dbraw/zinc/54/42/18/483544218.db2.gz JRUZCECCQWMLBL-SNVBAGLBSA-N 0 1 370.391 -0.127 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000599244735 483543507 /nfs/dbraw/zinc/54/35/07/483543507.db2.gz MOMSWPPPKYKRKH-LURJTMIESA-N 0 1 371.297 -0.230 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000599244736 483543338 /nfs/dbraw/zinc/54/33/38/483543338.db2.gz MOMSWPPPKYKRKH-ZCFIWIBFSA-N 0 1 371.297 -0.230 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000599244904 483544069 /nfs/dbraw/zinc/54/40/69/483544069.db2.gz MWGXXJZZDIFLKE-LLVKDONJSA-N 0 1 361.424 -0.157 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000599244907 483544147 /nfs/dbraw/zinc/54/41/47/483544147.db2.gz MWGXXJZZDIFLKE-NSHDSACASA-N 0 1 361.424 -0.157 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000599245874 483543802 /nfs/dbraw/zinc/54/38/02/483543802.db2.gz YVAXUVNEJFCKEC-BDAKNGLRSA-N 0 1 366.421 -0.038 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000599245876 483544004 /nfs/dbraw/zinc/54/40/04/483544004.db2.gz YVAXUVNEJFCKEC-DTWKUNHWSA-N 0 1 366.421 -0.038 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000599245877 483544053 /nfs/dbraw/zinc/54/40/53/483544053.db2.gz YVAXUVNEJFCKEC-IUCAKERBSA-N 0 1 366.421 -0.038 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000599245879 483543942 /nfs/dbraw/zinc/54/39/42/483543942.db2.gz YVAXUVNEJFCKEC-RKDXNWHRSA-N 0 1 366.421 -0.038 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(CS(C)(=O)=O)CC2)n1 ZINC000599249985 483544011 /nfs/dbraw/zinc/54/40/11/483544011.db2.gz JJNUNRIHDILCLZ-UHFFFAOYSA-N 0 1 352.394 -0.569 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CCS(C)(=O)=O)n1 ZINC000599250038 483543858 /nfs/dbraw/zinc/54/38/58/483543858.db2.gz IFNCQKOMPCQVLV-UHFFFAOYSA-N 0 1 354.410 -0.180 20 5 FBBDMN COC(=O)CC1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCOCC1 ZINC000599252202 483544225 /nfs/dbraw/zinc/54/42/25/483544225.db2.gz NLYINJFCRCGYHN-UHFFFAOYSA-N 0 1 362.364 -0.281 20 5 FBBDMN COC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599252527 483544118 /nfs/dbraw/zinc/54/41/18/483544118.db2.gz QGORYWJBBYXLIM-LLVKDONJSA-N 0 1 350.353 -0.425 20 5 FBBDMN COC[C@](C)(CC(=O)OC)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599252530 483543873 /nfs/dbraw/zinc/54/38/73/483543873.db2.gz QGORYWJBBYXLIM-NSHDSACASA-N 0 1 350.353 -0.425 20 5 FBBDMN CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000599255845 483544166 /nfs/dbraw/zinc/54/41/66/483544166.db2.gz MZWNZYCHTCKCAL-SECBINFHSA-N 0 1 361.380 -0.756 20 5 FBBDMN CC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000599255846 483544189 /nfs/dbraw/zinc/54/41/89/483544189.db2.gz MZWNZYCHTCKCAL-VIFPVBQESA-N 0 1 361.380 -0.756 20 5 FBBDMN COC(=O)[C@]1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCSC1 ZINC000599264957 483543728 /nfs/dbraw/zinc/54/37/28/483543728.db2.gz GCVVPLMTZQRLDD-JTQLQIEISA-N 0 1 350.378 -0.345 20 5 FBBDMN COC(=O)[C@@]1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCSC1 ZINC000599264958 483544115 /nfs/dbraw/zinc/54/41/15/483544115.db2.gz GCVVPLMTZQRLDD-SNVBAGLBSA-N 0 1 350.378 -0.345 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCN2S(C)(=O)=O)n1 ZINC000599267117 483544041 /nfs/dbraw/zinc/54/40/41/483544041.db2.gz SQBBWOVSCZCDRP-MRVPVSSYSA-N 0 1 367.409 -0.969 20 5 FBBDMN Cc1nc(CN2CCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000599271549 483544033 /nfs/dbraw/zinc/54/40/33/483544033.db2.gz GMFMMDQEPHULCS-UHFFFAOYSA-N 0 1 370.395 -0.739 20 5 FBBDMN CN(C)C(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])O1 ZINC000599272563 483543284 /nfs/dbraw/zinc/54/32/84/483543284.db2.gz PWCIPLVVNJNEPA-PSASIEDQSA-N 0 1 361.380 -0.758 20 5 FBBDMN CN(C)C(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])O1 ZINC000599272664 483544000 /nfs/dbraw/zinc/54/40/00/483544000.db2.gz PWCIPLVVNJNEPA-SCZZXKLOSA-N 0 1 361.380 -0.758 20 5 FBBDMN CN(C)C(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])O1 ZINC000599272665 483543569 /nfs/dbraw/zinc/54/35/69/483543569.db2.gz PWCIPLVVNJNEPA-WCBMZHEXSA-N 0 1 361.380 -0.758 20 5 FBBDMN CN(C)C(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])O1 ZINC000599272666 483543471 /nfs/dbraw/zinc/54/34/71/483543471.db2.gz PWCIPLVVNJNEPA-WPRPVWTQSA-N 0 1 361.380 -0.758 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC(=O)NCc2ccccn2)n1 ZINC000599275781 483545276 /nfs/dbraw/zinc/54/52/76/483545276.db2.gz WUMIIFLMSJKMCK-UHFFFAOYSA-N 0 1 368.375 -0.292 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCCS2(=O)=O)n1 ZINC000599275897 483544856 /nfs/dbraw/zinc/54/48/56/483544856.db2.gz XAJFPDHPGNEDBU-MRVPVSSYSA-N 0 1 352.394 -0.426 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCCS2(=O)=O)n1 ZINC000599275899 483545300 /nfs/dbraw/zinc/54/53/00/483545300.db2.gz XAJFPDHPGNEDBU-QMMMGPOBSA-N 0 1 352.394 -0.426 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)n1 ZINC000599277879 483545064 /nfs/dbraw/zinc/54/50/64/483545064.db2.gz KJJZADRHZQINNQ-GFCCVEGCSA-N 0 1 364.380 -0.301 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)n1 ZINC000599277880 483545478 /nfs/dbraw/zinc/54/54/78/483545478.db2.gz KJJZADRHZQINNQ-LBPRGKRZSA-N 0 1 364.380 -0.301 20 5 FBBDMN COCCO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599282661 483545149 /nfs/dbraw/zinc/54/51/49/483545149.db2.gz TWMKTJIOQLNWDK-GXSJLCMTSA-N 0 1 364.380 -0.573 20 5 FBBDMN COCCO[C@H]1COCC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599282662 483545385 /nfs/dbraw/zinc/54/53/85/483545385.db2.gz TWMKTJIOQLNWDK-KOLCDFICSA-N 0 1 364.380 -0.573 20 5 FBBDMN COCCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599282663 483545394 /nfs/dbraw/zinc/54/53/94/483545394.db2.gz TWMKTJIOQLNWDK-MWLCHTKSSA-N 0 1 364.380 -0.573 20 5 FBBDMN COCCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599282664 483544738 /nfs/dbraw/zinc/54/47/38/483544738.db2.gz TWMKTJIOQLNWDK-ONGXEEELSA-N 0 1 364.380 -0.573 20 5 FBBDMN COC(=O)CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC ZINC000599290021 483545161 /nfs/dbraw/zinc/54/51/61/483545161.db2.gz NVKDWRBYHDVQCX-SSDOTTSWSA-N 0 1 364.336 -0.899 20 5 FBBDMN CCOCCOC[C@H](O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599297220 483545529 /nfs/dbraw/zinc/54/55/29/483545529.db2.gz UGGBKAGPPVVOCA-SECBINFHSA-N 0 1 352.369 -0.979 20 5 FBBDMN CCOCCOC[C@@H](O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599297222 483545501 /nfs/dbraw/zinc/54/55/01/483545501.db2.gz UGGBKAGPPVVOCA-VIFPVBQESA-N 0 1 352.369 -0.979 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000599297458 483545181 /nfs/dbraw/zinc/54/51/81/483545181.db2.gz ICACLOPBOVVFDU-UHFFFAOYSA-N 0 1 360.440 -0.367 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(S(C)(=O)=O)CCC2)n1 ZINC000599297936 483545245 /nfs/dbraw/zinc/54/52/45/483545245.db2.gz YFKVVLRRWDJJFL-UHFFFAOYSA-N 0 1 352.394 -0.426 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)n1 ZINC000599305017 483544668 /nfs/dbraw/zinc/54/46/68/483544668.db2.gz VKMKPQWHYMEIFW-PSASIEDQSA-N 0 1 350.397 -0.235 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)n1 ZINC000599305018 483545337 /nfs/dbraw/zinc/54/53/37/483545337.db2.gz VKMKPQWHYMEIFW-SCZZXKLOSA-N 0 1 350.397 -0.235 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)n1 ZINC000599305019 483545358 /nfs/dbraw/zinc/54/53/58/483545358.db2.gz VKMKPQWHYMEIFW-WCBMZHEXSA-N 0 1 350.397 -0.235 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)n1 ZINC000599305020 483545297 /nfs/dbraw/zinc/54/52/97/483545297.db2.gz VKMKPQWHYMEIFW-WPRPVWTQSA-N 0 1 350.397 -0.235 20 5 FBBDMN CCOC(=O)c1cn(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cn1 ZINC000599307336 483547044 /nfs/dbraw/zinc/54/70/44/483547044.db2.gz SDLGTXIQGLUIIJ-UHFFFAOYSA-N 0 1 372.363 -0.320 20 5 FBBDMN CNC(=O)[C@H](CCSC)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599313799 483547173 /nfs/dbraw/zinc/54/71/73/483547173.db2.gz CKEKDSAMSZYJEB-ZETCQYMHSA-N 0 1 351.410 -0.526 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C2CC2)[C@@]2(CO)CCCO2)n1 ZINC000599314175 483546451 /nfs/dbraw/zinc/54/64/51/483546451.db2.gz XMUWXOBGHOYTGV-AAEUAGOBSA-N 0 1 360.392 -0.073 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C2CC2)[C@]2(CO)CCCO2)n1 ZINC000599314176 483546584 /nfs/dbraw/zinc/54/65/84/483546584.db2.gz XMUWXOBGHOYTGV-DGCLKSJQSA-N 0 1 360.392 -0.073 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C2CC2)[C@]2(CO)CCCO2)n1 ZINC000599314177 483546415 /nfs/dbraw/zinc/54/64/15/483546415.db2.gz XMUWXOBGHOYTGV-WCQYABFASA-N 0 1 360.392 -0.073 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C2CC2)[C@@]2(CO)CCCO2)n1 ZINC000599314178 483546917 /nfs/dbraw/zinc/54/69/17/483546917.db2.gz XMUWXOBGHOYTGV-YPMHNXCESA-N 0 1 360.392 -0.073 20 5 FBBDMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000599314328 483546322 /nfs/dbraw/zinc/54/63/22/483546322.db2.gz GJOLURXTUUEFOI-SSDOTTSWSA-N 0 1 352.394 -0.428 20 5 FBBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000599314335 483546980 /nfs/dbraw/zinc/54/69/80/483546980.db2.gz GJOLURXTUUEFOI-ZETCQYMHSA-N 0 1 352.394 -0.428 20 5 FBBDMN CSCC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000599316948 483546677 /nfs/dbraw/zinc/54/66/77/483546677.db2.gz RWHWIVNOHZFQDM-QMMMGPOBSA-N 0 1 365.437 -0.184 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(S(C)(=O)=O)CCCC2)n1 ZINC000599317630 483546187 /nfs/dbraw/zinc/54/61/87/483546187.db2.gz UDIUWBLFZWMZQG-UHFFFAOYSA-N 0 1 366.421 -0.036 20 5 FBBDMN CC[C@](COC)(NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC ZINC000599324751 483540063 /nfs/dbraw/zinc/54/00/63/483540063.db2.gz WHTSGSGRXOYEDL-LLVKDONJSA-N 0 1 350.353 -0.425 20 5 FBBDMN CC[C@@](COC)(NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC ZINC000599324752 483540356 /nfs/dbraw/zinc/54/03/56/483540356.db2.gz WHTSGSGRXOYEDL-NSHDSACASA-N 0 1 350.353 -0.425 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(CS(C)(=O)=O)CCC2)n1 ZINC000599326596 483541210 /nfs/dbraw/zinc/54/12/10/483541210.db2.gz APUIHRYKEWOPQZ-UHFFFAOYSA-N 0 1 366.421 -0.179 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC(C)(C)S(C)(=O)=O)n1 ZINC000599328367 483540770 /nfs/dbraw/zinc/54/07/70/483540770.db2.gz YKAGLZLWMGGGAV-UHFFFAOYSA-N 0 1 354.410 -0.180 20 5 FBBDMN C[C@@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CS1(=O)=O ZINC000599343207 483541737 /nfs/dbraw/zinc/54/17/37/483541737.db2.gz ZFAMRGYFEFBGOT-HTQZYQBOSA-N 0 1 352.394 -0.428 20 5 FBBDMN C[C@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CS1(=O)=O ZINC000599343208 483542064 /nfs/dbraw/zinc/54/20/64/483542064.db2.gz ZFAMRGYFEFBGOT-JGVFFNPUSA-N 0 1 352.394 -0.428 20 5 FBBDMN C[C@@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CS1(=O)=O ZINC000599343209 483541823 /nfs/dbraw/zinc/54/18/23/483541823.db2.gz ZFAMRGYFEFBGOT-SFYZADRCSA-N 0 1 352.394 -0.428 20 5 FBBDMN C[C@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CS1(=O)=O ZINC000599343210 483542124 /nfs/dbraw/zinc/54/21/24/483542124.db2.gz ZFAMRGYFEFBGOT-YUMQZZPRSA-N 0 1 352.394 -0.428 20 5 FBBDMN COC(=O)c1ccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nc1 ZINC000599343386 483541628 /nfs/dbraw/zinc/54/16/28/483541628.db2.gz QXGRMNPGVMSOBZ-UHFFFAOYSA-N 0 1 355.332 -0.012 20 5 FBBDMN COCCOc1ccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nn1 ZINC000599348867 483542746 /nfs/dbraw/zinc/54/27/46/483542746.db2.gz QOSVMZNKOYBGCZ-UHFFFAOYSA-N 0 1 372.363 -0.378 20 5 FBBDMN CCS(=O)(=O)C1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599350425 483546200 /nfs/dbraw/zinc/54/62/00/483546200.db2.gz SDJQNTVSVKEPGU-UHFFFAOYSA-N 0 1 352.394 -0.426 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2C[C@@H]3CCCCN3C2=O)n1 ZINC000599350470 483546390 /nfs/dbraw/zinc/54/63/90/483546390.db2.gz QWSMGKKPMMWWJS-JTQLQIEISA-N 0 1 372.407 -0.103 20 5 FBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2C[C@H]3CCCCN3C2=O)n1 ZINC000599350471 483546928 /nfs/dbraw/zinc/54/69/28/483546928.db2.gz QWSMGKKPMMWWJS-SNVBAGLBSA-N 0 1 372.407 -0.103 20 5 FBBDMN NC(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000599395165 483548005 /nfs/dbraw/zinc/54/80/05/483548005.db2.gz BHGZILXRVCJLOU-JTQLQIEISA-N 0 1 357.392 -0.392 20 5 FBBDMN COC(=O)CCNC(=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000599476684 483548863 /nfs/dbraw/zinc/54/88/63/483548863.db2.gz GAYUYLDBIDUMTQ-UHFFFAOYSA-N 0 1 360.348 -0.663 20 5 FBBDMN O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(C(=O)N2CCNCC2)CC1 ZINC000599614772 483550523 /nfs/dbraw/zinc/55/05/23/483550523.db2.gz SQJOSWVZIGRYEA-UHFFFAOYSA-N 0 1 363.378 -0.414 20 5 FBBDMN NS(=O)(=O)NC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000599647537 483553453 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/nfs/dbraw/zinc/73/10/24/606731024.db2.gz MQHFGQONAVPUHG-UHFFFAOYSA-N 0 1 369.363 -0.516 20 5 FBBDMN CN(C)CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000821583155 606644962 /nfs/dbraw/zinc/64/49/62/606644962.db2.gz KNFOHLYVKSIGRZ-UHFFFAOYSA-N 0 1 360.378 -0.015 20 5 FBBDMN CN(C)S(=O)(=O)c1ccc(-n2cnc(-c3nn[nH]n3)n2)c([N+](=O)[O-])c1 ZINC000821588191 606873304 /nfs/dbraw/zinc/87/33/04/606873304.db2.gz GPVJSGJBPCUIHP-UHFFFAOYSA-N 0 1 365.335 -0.394 20 5 FBBDMN CN1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821627400 606631694 /nfs/dbraw/zinc/63/16/94/606631694.db2.gz ZNTCTMPFLZNFHR-GFCCVEGCSA-N 0 1 363.378 -0.238 20 5 FBBDMN CN1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821627401 606631521 /nfs/dbraw/zinc/63/15/21/606631521.db2.gz ZNTCTMPFLZNFHR-LBPRGKRZSA-N 0 1 363.378 -0.238 20 5 FBBDMN CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000821628794 606731436 /nfs/dbraw/zinc/73/14/36/606731436.db2.gz QXGNVZHWKWCRLK-UHFFFAOYSA-N 0 1 353.364 -0.289 20 5 FBBDMN CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1=O ZINC000821628943 606734580 /nfs/dbraw/zinc/73/45/80/606734580.db2.gz VERXIJCVDCOWGL-UHFFFAOYSA-N 0 1 367.347 -0.762 20 5 FBBDMN CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821632806 606731060 /nfs/dbraw/zinc/73/10/60/606731060.db2.gz JUUQDLYWTRSWKO-UHFFFAOYSA-N 0 1 355.336 -0.859 20 5 FBBDMN COC(=O)CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821661388 606732881 /nfs/dbraw/zinc/73/28/81/606732881.db2.gz GURRCQYPYMNMBM-UHFFFAOYSA-N 0 1 370.347 -0.042 20 5 FBBDMN COC(=O)c1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc([N+](=O)[O-])c1 ZINC000821668083 607218127 /nfs/dbraw/zinc/21/81/27/607218127.db2.gz NQSFMHNHMOCQES-UHFFFAOYSA-N 0 1 373.289 -0.208 20 5 FBBDMN COc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1[N+](=O)[O-] ZINC000821798553 607209396 /nfs/dbraw/zinc/20/93/96/607209396.db2.gz FMSXRVNWYVKUNG-UHFFFAOYSA-N 0 1 359.306 -0.309 20 5 FBBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821845642 607209452 /nfs/dbraw/zinc/20/94/52/607209452.db2.gz IVTYFIVMNAKTFX-UHFFFAOYSA-N 0 1 359.306 -0.309 20 5 FBBDMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000823131940 607216357 /nfs/dbraw/zinc/21/63/57/607216357.db2.gz RMGXHAODAIAXLG-UHFFFAOYSA-N 0 1 359.306 -0.438 20 5 FBBDMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCNc1ccccc1[N+](=O)[O-] ZINC000823132094 607206189 /nfs/dbraw/zinc/20/61/89/607206189.db2.gz ZPFQVEFWQBLHDG-UHFFFAOYSA-N 0 1 358.322 -0.405 20 5 FBBDMN O=C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCN1 ZINC000823536290 606733575 /nfs/dbraw/zinc/73/35/75/606733575.db2.gz ZLPAOGJTHHPEBV-UHFFFAOYSA-N 0 1 367.347 -0.715 20 5 FBBDMN CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000823994348 607576126 /nfs/dbraw/zinc/57/61/26/607576126.db2.gz GSSUVFZQFNFXIY-UHFFFAOYSA-N 0 1 355.336 -0.811 20 5 FBBDMN CC(=O)NCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000823994992 607582677 /nfs/dbraw/zinc/58/26/77/607582677.db2.gz VZXPNZSDCQLQJU-UHFFFAOYSA-N 0 1 369.363 -0.421 20 5 FBBDMN C[C@@H](C(N)=O)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824059194 608250504 /nfs/dbraw/zinc/25/05/04/608250504.db2.gz ONBIXTRVZXUIIH-LURJTMIESA-N 0 1 355.336 -0.731 20 5 FBBDMN C[C@H](C(N)=O)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824059195 608250273 /nfs/dbraw/zinc/25/02/73/608250273.db2.gz ONBIXTRVZXUIIH-ZCFIWIBFSA-N 0 1 355.336 -0.731 20 5 FBBDMN CC(C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(N)=O ZINC000824200353 607611107 /nfs/dbraw/zinc/61/11/07/607611107.db2.gz PEERCKLCGQTHHR-JTQLQIEISA-N 0 1 369.363 -0.437 20 5 FBBDMN CC(C)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(N)=O ZINC000824200354 607611277 /nfs/dbraw/zinc/61/12/77/607611277.db2.gz PEERCKLCGQTHHR-SNVBAGLBSA-N 0 1 369.363 -0.437 20 5 FBBDMN CC(C)NC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824304556 607579541 /nfs/dbraw/zinc/57/95/41/607579541.db2.gz ASKNRSPYSOEUSR-UHFFFAOYSA-N 0 1 369.363 -0.422 20 5 FBBDMN C[C@@H](CC(N)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824392908 607644975 /nfs/dbraw/zinc/64/49/75/607644975.db2.gz PPTOMGGWAKDZQR-LURJTMIESA-N 0 1 355.336 -0.683 20 5 FBBDMN C[C@H](CC(N)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824392909 607645247 /nfs/dbraw/zinc/64/52/47/607645247.db2.gz PPTOMGGWAKDZQR-ZCFIWIBFSA-N 0 1 355.336 -0.683 20 5 FBBDMN C[C@H](C[S@@](C)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824448119 608124884 /nfs/dbraw/zinc/12/48/84/608124884.db2.gz GAGRAKOULKTPCZ-GJAJDEHISA-N 0 1 374.404 -0.180 20 5 FBBDMN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824448120 608124735 /nfs/dbraw/zinc/12/47/35/608124735.db2.gz GAGRAKOULKTPCZ-GZADNHSOSA-N 0 1 374.404 -0.180 20 5 FBBDMN C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824448122 608124759 /nfs/dbraw/zinc/12/47/59/608124759.db2.gz GAGRAKOULKTPCZ-SYDQRWKJSA-N 0 1 374.404 -0.180 20 5 FBBDMN C[C@H](C[S@](C)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824448124 608124934 /nfs/dbraw/zinc/12/49/34/608124934.db2.gz GAGRAKOULKTPCZ-WBOGJMANSA-N 0 1 374.404 -0.180 20 5 FBBDMN CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)OCCO1 ZINC000824822706 608561935 /nfs/dbraw/zinc/56/19/35/608561935.db2.gz GLZSQJMNQJPKAB-UHFFFAOYSA-N 0 1 370.347 -0.184 20 5 FBBDMN C[C@@]1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824843270 608110932 /nfs/dbraw/zinc/11/09/32/608110932.db2.gz CHAWHHFMGZQQAX-GFCCVEGCSA-N 0 1 354.348 -0.080 20 5 FBBDMN C[C@]1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824843272 608110724 /nfs/dbraw/zinc/11/07/24/608110724.db2.gz CHAWHHFMGZQQAX-LBPRGKRZSA-N 0 1 354.348 -0.080 20 5 FBBDMN C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824858652 607608065 /nfs/dbraw/zinc/60/80/65/607608065.db2.gz LPXCJNWKNAQKEF-SSDOTTSWSA-N 0 1 367.347 -0.716 20 5 FBBDMN C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824858657 607607882 /nfs/dbraw/zinc/60/78/82/607607882.db2.gz LPXCJNWKNAQKEF-ZETCQYMHSA-N 0 1 367.347 -0.716 20 5 FBBDMN CN(C)CC(=O)N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000824909372 661101921 /nfs/dbraw/zinc/10/19/21/661101921.db2.gz LIENFGZBYSPHSG-HNNXBMFYSA-N 0 1 350.375 -0.139 20 5 FBBDMN CN(C)CC(=O)N1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000824909375 661101962 /nfs/dbraw/zinc/10/19/62/661101962.db2.gz LIENFGZBYSPHSG-OAHLLOKOSA-N 0 1 350.375 -0.139 20 5 FBBDMN C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@@H]1O ZINC000824992692 608563939 /nfs/dbraw/zinc/56/39/39/608563939.db2.gz NNVMCGDUMGFSIK-APPZFPTMSA-N 0 1 354.348 -0.224 20 5 FBBDMN C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@@H]1O ZINC000824992694 608563514 /nfs/dbraw/zinc/56/35/14/608563514.db2.gz NNVMCGDUMGFSIK-CBAPKCEASA-N 0 1 354.348 -0.224 20 5 FBBDMN C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H]1O ZINC000824992696 608564005 /nfs/dbraw/zinc/56/40/05/608564005.db2.gz NNVMCGDUMGFSIK-IONNQARKSA-N 0 1 354.348 -0.224 20 5 FBBDMN C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H]1O ZINC000824992699 608564098 /nfs/dbraw/zinc/56/40/98/608564098.db2.gz NNVMCGDUMGFSIK-VXNVDRBHSA-N 0 1 354.348 -0.224 20 5 FBBDMN CCCNC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825328570 607578799 /nfs/dbraw/zinc/57/87/99/607578799.db2.gz UKDWYOOXKCCUFA-UHFFFAOYSA-N 0 1 369.363 -0.421 20 5 FBBDMN CCN(CC(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825399637 607606625 /nfs/dbraw/zinc/60/66/25/607606625.db2.gz ZWIWIARCYFESJW-UHFFFAOYSA-N 0 1 370.347 -0.042 20 5 FBBDMN CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825465467 607583261 /nfs/dbraw/zinc/58/32/61/607583261.db2.gz MABKYIBRGCIAFJ-SSDOTTSWSA-N 0 1 369.363 -0.422 20 5 FBBDMN CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825465469 607583556 /nfs/dbraw/zinc/58/35/56/607583556.db2.gz MABKYIBRGCIAFJ-ZETCQYMHSA-N 0 1 369.363 -0.422 20 5 FBBDMN CCNC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825471574 607578236 /nfs/dbraw/zinc/57/82/36/607578236.db2.gz XDGRPBVRAWRUNU-UHFFFAOYSA-N 0 1 355.336 -0.811 20 5 FBBDMN CCOC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825511925 607598895 /nfs/dbraw/zinc/59/88/95/607598895.db2.gz LJUNTGBHDSQOOG-UHFFFAOYSA-N 0 1 370.347 -0.042 20 5 FBBDMN CCOC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825517643 607612951 /nfs/dbraw/zinc/61/29/51/607612951.db2.gz IWRDBNPXPJCNJT-UHFFFAOYSA-N 0 1 356.320 -0.384 20 5 FBBDMN CC[S@@](=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825669149 607612848 /nfs/dbraw/zinc/61/28/48/607612848.db2.gz QXEYITHYBAJSOP-HSZRJFAPSA-N 0 1 374.404 -0.178 20 5 FBBDMN CC[S@](=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825669150 607613018 /nfs/dbraw/zinc/61/30/18/607613018.db2.gz QXEYITHYBAJSOP-QHCPKHFHSA-N 0 1 374.404 -0.178 20 5 FBBDMN CN(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825838622 607590189 /nfs/dbraw/zinc/59/01/89/607590189.db2.gz BHSKMFDXTVDMBH-UHFFFAOYSA-N 0 1 369.363 -0.469 20 5 FBBDMN CN(C)C(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825839928 607578401 /nfs/dbraw/zinc/57/84/01/607578401.db2.gz LPCZYKGRMMYEGO-UHFFFAOYSA-N 0 1 355.336 -0.859 20 5 FBBDMN CN(C)C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825855837 608566923 /nfs/dbraw/zinc/56/69/23/608566923.db2.gz JZSMRVNAMCTULZ-UHFFFAOYSA-N 0 1 353.364 -0.291 20 5 FBBDMN CN([C@@H]1CCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825887296 607975771 /nfs/dbraw/zinc/97/57/71/607975771.db2.gz FMTDXYPDDCKNKO-MRVPVSSYSA-N 0 1 367.347 -0.716 20 5 FBBDMN CN([C@H]1CCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825887299 607975933 /nfs/dbraw/zinc/97/59/33/607975933.db2.gz FMTDXYPDDCKNKO-QMMMGPOBSA-N 0 1 367.347 -0.716 20 5 FBBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCn1cc([N+](=O)[O-])cn1 ZINC000825934202 608034788 /nfs/dbraw/zinc/03/47/88/608034788.db2.gz KUCQNLXIUWDKMU-UHFFFAOYSA-N 0 1 361.370 -0.159 20 5 FBBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCn1cc([N+](=O)[O-])cn1 ZINC000825934202 608034787 /nfs/dbraw/zinc/03/47/87/608034787.db2.gz KUCQNLXIUWDKMU-UHFFFAOYSA-N 0 1 361.370 -0.159 20 5 FBBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCn1cc([N+](=O)[O-])cn1 ZINC000825934202 608034786 /nfs/dbraw/zinc/03/47/86/608034786.db2.gz KUCQNLXIUWDKMU-UHFFFAOYSA-N 0 1 361.370 -0.159 20 5 FBBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCn1cc([N+](=O)[O-])cn1 ZINC000825934202 608034785 /nfs/dbraw/zinc/03/47/85/608034785.db2.gz KUCQNLXIUWDKMU-UHFFFAOYSA-N 0 1 361.370 -0.159 20 5 FBBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCn1ccc([N+](=O)[O-])n1 ZINC000825935104 608035730 /nfs/dbraw/zinc/03/57/30/608035730.db2.gz UUJPLEZXIXNRJW-UHFFFAOYSA-N 0 1 361.370 -0.159 20 5 FBBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCn1ccc([N+](=O)[O-])n1 ZINC000825935104 608035729 /nfs/dbraw/zinc/03/57/29/608035729.db2.gz UUJPLEZXIXNRJW-UHFFFAOYSA-N 0 1 361.370 -0.159 20 5 FBBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCn1ccc([N+](=O)[O-])n1 ZINC000825935104 608035728 /nfs/dbraw/zinc/03/57/28/608035728.db2.gz UUJPLEZXIXNRJW-UHFFFAOYSA-N 0 1 361.370 -0.159 20 5 FBBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCn1ccc([N+](=O)[O-])n1 ZINC000825935104 608035727 /nfs/dbraw/zinc/03/57/27/608035727.db2.gz UUJPLEZXIXNRJW-UHFFFAOYSA-N 0 1 361.370 -0.159 20 5 FBBDMN CN1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1=O ZINC000826016885 607603055 /nfs/dbraw/zinc/60/30/55/607603055.db2.gz HOXHMEMQMZVDDH-SSDOTTSWSA-N 0 1 367.347 -0.716 20 5 FBBDMN CN1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1=O ZINC000826016888 607602999 /nfs/dbraw/zinc/60/29/99/607602999.db2.gz HOXHMEMQMZVDDH-ZETCQYMHSA-N 0 1 367.347 -0.716 20 5 FBBDMN CN1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1=O ZINC000826028610 607621239 /nfs/dbraw/zinc/62/12/39/607621239.db2.gz DIXFBSFNNMBNIL-SSDOTTSWSA-N 0 1 367.347 -0.716 20 5 FBBDMN CN1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1=O ZINC000826028611 607621356 /nfs/dbraw/zinc/62/13/56/607621356.db2.gz DIXFBSFNNMBNIL-ZETCQYMHSA-N 0 1 367.347 -0.716 20 5 FBBDMN CN1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1=O ZINC000826044177 609397382 /nfs/dbraw/zinc/39/73/82/609397382.db2.gz BAPZXRRXYJWROE-UHFFFAOYSA-N 0 1 353.320 -0.805 20 5 FBBDMN CNC(=O)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826052727 607594502 /nfs/dbraw/zinc/59/45/02/607594502.db2.gz TXGGAYNDWBVKLU-LURJTMIESA-N 0 1 355.336 -0.812 20 5 FBBDMN CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826052728 607665604 /nfs/dbraw/zinc/66/56/04/607665604.db2.gz TXGGAYNDWBVKLU-ZCFIWIBFSA-N 0 1 355.336 -0.812 20 5 FBBDMN COC(=O)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826104016 607673914 /nfs/dbraw/zinc/67/39/14/607673914.db2.gz NXHSKQIGGOCZMW-SSDOTTSWSA-N 0 1 370.347 -0.138 20 5 FBBDMN COC(=O)[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826104017 607674329 /nfs/dbraw/zinc/67/43/29/607674329.db2.gz NXHSKQIGGOCZMW-ZETCQYMHSA-N 0 1 370.347 -0.138 20 5 FBBDMN COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826138243 607937592 /nfs/dbraw/zinc/93/75/92/607937592.db2.gz LXTKKZUCWNLXDX-UHFFFAOYSA-N 0 1 356.320 -0.432 20 5 FBBDMN COC[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826148952 607636054 /nfs/dbraw/zinc/63/60/54/607636054.db2.gz VFXSXANTBZBKOW-GFCCVEGCSA-N 0 1 372.363 -0.549 20 5 FBBDMN COC[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826148953 607635891 /nfs/dbraw/zinc/63/58/91/607635891.db2.gz VFXSXANTBZBKOW-LBPRGKRZSA-N 0 1 372.363 -0.549 20 5 FBBDMN COC[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)OC ZINC000826149145 609318632 /nfs/dbraw/zinc/31/86/32/609318632.db2.gz ALOYTTWBXXLTPS-MRVPVSSYSA-N 0 1 372.363 -0.285 20 5 FBBDMN COC[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)OC ZINC000826149146 609318621 /nfs/dbraw/zinc/31/86/21/609318621.db2.gz ALOYTTWBXXLTPS-QMMMGPOBSA-N 0 1 372.363 -0.285 20 5 FBBDMN COC[C@@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826149911 608756667 /nfs/dbraw/zinc/75/66/67/608756667.db2.gz RSEPGDLPTFNZND-MRVPVSSYSA-N 0 1 372.363 -0.549 20 5 FBBDMN COC[C@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826149912 608756899 /nfs/dbraw/zinc/75/68/99/608756899.db2.gz RSEPGDLPTFNZND-QMMMGPOBSA-N 0 1 372.363 -0.549 20 5 FBBDMN COC[C@H](O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826152350 608238913 /nfs/dbraw/zinc/23/89/13/608238913.db2.gz XFAVHYIXNPVVIG-MRVPVSSYSA-N 0 1 372.363 -0.549 20 5 FBBDMN COC[C@@H](O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826152351 608238848 /nfs/dbraw/zinc/23/88/48/608238848.db2.gz XFAVHYIXNPVVIG-QMMMGPOBSA-N 0 1 372.363 -0.549 20 5 FBBDMN COCCN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826158329 607630966 /nfs/dbraw/zinc/63/09/66/607630966.db2.gz KVMKOOXTROPLMG-UHFFFAOYSA-N 0 1 372.363 -0.596 20 5 FBBDMN COCCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826160962 607597627 /nfs/dbraw/zinc/59/76/27/607597627.db2.gz NZHKMINJSQRMTF-UHFFFAOYSA-N 0 1 372.363 -0.284 20 5 FBBDMN C[S@@](=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826224797 607618448 /nfs/dbraw/zinc/61/84/48/607618448.db2.gz LVHIMOHHZAYNLX-HSZRJFAPSA-N 0 1 374.404 -0.178 20 5 FBBDMN C[S@](=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826224798 607618599 /nfs/dbraw/zinc/61/85/99/607618599.db2.gz LVHIMOHHZAYNLX-QHCPKHFHSA-N 0 1 374.404 -0.178 20 5 FBBDMN C[S@@](=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826225081 607618667 /nfs/dbraw/zinc/61/86/67/607618667.db2.gz SKFNCVXVYJALDF-JOCHJYFZSA-N 0 1 360.377 -0.568 20 5 FBBDMN C[S@](=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826225082 607618731 /nfs/dbraw/zinc/61/87/31/607618731.db2.gz SKFNCVXVYJALDF-QFIPXVFZSA-N 0 1 360.377 -0.568 20 5 FBBDMN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)N(C)C ZINC000826231983 607664263 /nfs/dbraw/zinc/66/42/63/607664263.db2.gz ZOOILWVNFNOCNA-SSDOTTSWSA-N 0 1 369.363 -0.470 20 5 FBBDMN Cn1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000826361808 607596520 /nfs/dbraw/zinc/59/65/20/607596520.db2.gz QARGZKKCYLCAKG-UHFFFAOYSA-N 0 1 364.347 -0.013 20 5 FBBDMN Cn1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)nn1 ZINC000826361956 661111195 /nfs/dbraw/zinc/11/11/95/661111195.db2.gz XKILDNXBXXAJFC-UHFFFAOYSA-N 0 1 365.335 -0.618 20 5 FBBDMN Cn1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)n1 ZINC000826363217 608238747 /nfs/dbraw/zinc/23/87/47/608238747.db2.gz CJCKDSXFXSBROV-UHFFFAOYSA-N 0 1 364.347 -0.013 20 5 FBBDMN Cn1ccnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826364002 609497842 /nfs/dbraw/zinc/49/78/42/609497842.db2.gz HTLNVANGTCXNCQ-UHFFFAOYSA-N 0 1 364.347 -0.013 20 5 FBBDMN Cn1cnc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)n1 ZINC000826364934 608562805 /nfs/dbraw/zinc/56/28/05/608562805.db2.gz SCQYQASNZURUGP-UHFFFAOYSA-N 0 1 365.335 -0.618 20 5 FBBDMN Cn1cnnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826366229 607584107 /nfs/dbraw/zinc/58/41/07/607584107.db2.gz YLPZISUPSXSPMG-UHFFFAOYSA-N 0 1 365.335 -0.618 20 5 FBBDMN Cn1nccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826366692 607583983 /nfs/dbraw/zinc/58/39/83/607583983.db2.gz UHNVGWUOHVKHBD-UHFFFAOYSA-N 0 1 364.347 -0.013 20 5 FBBDMN NC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1 ZINC000826389507 607680103 /nfs/dbraw/zinc/68/01/03/607680103.db2.gz ABUYRIKIRSFQOK-UHFFFAOYSA-N 0 1 367.347 -0.539 20 5 FBBDMN NC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000826390417 607671398 /nfs/dbraw/zinc/67/13/98/607671398.db2.gz YXORNNTWYSLEFN-UHFFFAOYSA-N 0 1 353.320 -0.929 20 5 FBBDMN NC(=O)CCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826390581 608566313 /nfs/dbraw/zinc/56/63/13/608566313.db2.gz FGAQZXFPRZEPAK-UHFFFAOYSA-N 0 1 369.363 -0.291 20 5 FBBDMN O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)NC1CC1 ZINC000826412928 607580759 /nfs/dbraw/zinc/58/07/59/607580759.db2.gz JTRRKWSCDYHWFS-UHFFFAOYSA-N 0 1 367.347 -0.668 20 5 FBBDMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826425087 607957743 /nfs/dbraw/zinc/95/77/43/607957743.db2.gz PHWIKBRDKMWPQZ-UHFFFAOYSA-N 0 1 355.318 -0.049 20 5 FBBDMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826425793 608002625 /nfs/dbraw/zinc/00/26/25/608002625.db2.gz UEYNFOXLSWGIBC-UHFFFAOYSA-N 0 1 355.278 -0.119 20 5 FBBDMN O=C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCN1 ZINC000826480469 607607491 /nfs/dbraw/zinc/60/74/91/607607491.db2.gz CPKOGNJOIZRWMB-UHFFFAOYSA-N 0 1 367.347 -0.715 20 5 FBBDMN O=C1NCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826483016 661111490 /nfs/dbraw/zinc/11/14/90/661111490.db2.gz YEJNBQIHIIOJHQ-SSDOTTSWSA-N 0 1 367.347 -0.668 20 5 FBBDMN O=C1NCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826483017 661111588 /nfs/dbraw/zinc/11/15/88/661111588.db2.gz YEJNBQIHIIOJHQ-ZETCQYMHSA-N 0 1 367.347 -0.668 20 5 FBBDMN O=C1OCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826483160 607576256 /nfs/dbraw/zinc/57/62/56/607576256.db2.gz CXRRUWBAHCYYDR-LURJTMIESA-N 0 1 354.304 -0.631 20 5 FBBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000826499491 609486780 /nfs/dbraw/zinc/48/67/80/609486780.db2.gz KQGQUQHTMHWUMB-UHFFFAOYSA-N 0 1 350.320 -0.160 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)CCCO)c1-c1nn[nH]n1 ZINC000826499841 607635423 /nfs/dbraw/zinc/63/54/23/607635423.db2.gz ABTVKHBHSLEFBZ-UHFFFAOYSA-N 0 1 372.363 -0.860 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2COCCO2)c1-c1nn[nH]n1 ZINC000826499896 607594789 /nfs/dbraw/zinc/59/47/89/607594789.db2.gz DAUBIBABXSELCM-MRVPVSSYSA-N 0 1 370.347 -0.531 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2COCCO2)c1-c1nn[nH]n1 ZINC000826499897 607594737 /nfs/dbraw/zinc/59/47/37/607594737.db2.gz DAUBIBABXSELCM-QMMMGPOBSA-N 0 1 370.347 -0.531 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)C2CC2)c1-c1nn[nH]n1 ZINC000826499923 607627125 /nfs/dbraw/zinc/62/71/25/607627125.db2.gz DZFQNOKGAWMBPO-UHFFFAOYSA-N 0 1 354.348 -0.080 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)C2CC2)c1-c1nn[nH]n1 ZINC000826499925 607639229 /nfs/dbraw/zinc/63/92/29/607639229.db2.gz FCCYQOTYOCUPIG-MRVPVSSYSA-N 0 1 354.348 -0.176 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)C2CC2)c1-c1nn[nH]n1 ZINC000826499926 607639268 /nfs/dbraw/zinc/63/92/68/607639268.db2.gz FCCYQOTYOCUPIG-QMMMGPOBSA-N 0 1 354.348 -0.176 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(O)CCC2)c1-c1nn[nH]n1 ZINC000826499943 607629203 /nfs/dbraw/zinc/62/92/03/607629203.db2.gz FPSRRUGVWBDBCA-UHFFFAOYSA-N 0 1 354.348 -0.032 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCC2)c1-c1nn[nH]n1 ZINC000826500108 607745403 /nfs/dbraw/zinc/74/54/03/607745403.db2.gz LIDBIRJVINGEOW-UHFFFAOYSA-N 0 1 353.364 -0.241 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCn2ccnc2)c1-c1nn[nH]n1 ZINC000826500111 607579749 /nfs/dbraw/zinc/57/97/49/607579749.db2.gz LOLKNMDWOLCCKM-UHFFFAOYSA-N 0 1 364.347 -0.050 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CO)CC2)c1-c1nn[nH]n1 ZINC000826500117 607659909 /nfs/dbraw/zinc/65/99/09/607659909.db2.gz LVMNAVWYAHHXLH-UHFFFAOYSA-N 0 1 354.348 -0.174 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@]2(O)CCOC2)c1-c1nn[nH]n1 ZINC000826500154 607853872 /nfs/dbraw/zinc/85/38/72/607853872.db2.gz NEFSRBRVWLFKIT-GFCCVEGCSA-N 0 1 370.347 -0.795 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1-c1nn[nH]n1 ZINC000826500155 607853995 /nfs/dbraw/zinc/85/39/95/607853995.db2.gz NEFSRBRVWLFKIT-LBPRGKRZSA-N 0 1 370.347 -0.795 20 5 FBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2CO)c1-c1nn[nH]n1 ZINC000826500204 607629064 /nfs/dbraw/zinc/62/90/64/607629064.db2.gz OEXBPGDLEIYSGI-MRVPVSSYSA-N 0 1 354.348 -0.080 20 5 FBBDMN 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CCCCCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976557 662218947 /nfs/dbraw/zinc/21/89/47/662218947.db2.gz IKPCKAKYCMJQNQ-CHWSQXEVSA-N 0 1 357.407 -0.062 20 5 FBBDMN CCCc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001042976570 662219085 /nfs/dbraw/zinc/21/90/85/662219085.db2.gz JAWSKDBYUYBDOC-ZYHUDNBSSA-N 0 1 352.347 -0.405 20 5 FBBDMN CC(C)c1ocnc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976583 662218987 /nfs/dbraw/zinc/21/89/87/662218987.db2.gz JPQCBPYMYMYKEC-NXEZZACHSA-N 0 1 352.347 -0.234 20 5 FBBDMN COCc1ccsc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976587 662219092 /nfs/dbraw/zinc/21/90/92/662219092.db2.gz JWXPVPXWTGYPRL-GHMZBOCLSA-N 0 1 369.399 -0.137 20 5 FBBDMN O=C(CCOCC(F)F)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976591 662218886 /nfs/dbraw/zinc/21/88/86/662218886.db2.gz KEGKYHXVQCTYKZ-RKDXNWHRSA-N 0 1 351.306 -0.987 20 5 FBBDMN CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCOCC1 ZINC001042976615 662218812 /nfs/dbraw/zinc/21/88/12/662218812.db2.gz LOSQTELDLDNEEY-VXGBXAGGSA-N 0 1 355.391 -0.452 20 5 FBBDMN Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(Cl)n1 ZINC001042976646 662219068 /nfs/dbraw/zinc/21/90/68/662219068.db2.gz MXPRQPMPSZCVDV-VXNVDRBHSA-N 0 1 357.754 -0.958 20 5 FBBDMN CC(C)c1nnsc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976647 662218933 /nfs/dbraw/zinc/21/89/33/662218933.db2.gz MYAJHWWUIFLHPV-RKDXNWHRSA-N 0 1 369.403 -0.370 20 5 FBBDMN COc1cccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001042976649 662218861 /nfs/dbraw/zinc/21/88/61/662218861.db2.gz MZLGNLKWCYAGNB-MWLCHTKSSA-N 0 1 350.331 -0.942 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2cccc(F)c2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976670 662219039 /nfs/dbraw/zinc/21/90/39/662219039.db2.gz NQHBXSQEODWQCO-MWLCHTKSSA-N 0 1 355.297 -0.067 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2ccnn2C(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976702 662218924 /nfs/dbraw/zinc/21/89/24/662218924.db2.gz PEMMRDAENACRFM-VXNVDRBHSA-N 0 1 359.289 -0.754 20 5 FBBDMN CCn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1C ZINC001042976707 662219030 /nfs/dbraw/zinc/21/90/30/662219030.db2.gz PMXTVHAFXHIUKD-ZYHUDNBSSA-N 0 1 351.363 -0.820 20 5 FBBDMN COc1ncccc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976716 662218953 /nfs/dbraw/zinc/21/89/53/662218953.db2.gz QDHQGRLRUVUXPE-GHMZBOCLSA-N 0 1 350.331 -0.942 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2c(F)cncc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976718 662218831 /nfs/dbraw/zinc/21/88/31/662218831.db2.gz QGFYTBFOEWBGSI-GMSGAONNSA-N 0 1 356.285 -0.672 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2ccc(Cl)cn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976739 662218855 /nfs/dbraw/zinc/21/88/55/662218855.db2.gz RJYWZGQMGHHSKW-MWLCHTKSSA-N 0 1 354.750 -0.297 20 5 FBBDMN COc1ccsc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976752 662219054 /nfs/dbraw/zinc/21/90/54/662219054.db2.gz SCIABQQEYVQRHB-RKDXNWHRSA-N 0 1 355.372 -0.275 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2ncoc2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976754 662218916 /nfs/dbraw/zinc/21/89/16/662218916.db2.gz SCWLKYOKWYOPLJ-NXEZZACHSA-N 0 1 350.331 -0.480 20 5 FBBDMN Cn1ncc(Cl)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976770 662219020 /nfs/dbraw/zinc/21/90/20/662219020.db2.gz STYCIQIPMLTJSG-VXNVDRBHSA-N 0 1 357.754 -0.958 20 5 FBBDMN CC(C)(C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnc[nH]1 ZINC001042976781 662218819 /nfs/dbraw/zinc/21/88/19/662218819.db2.gz UCZDGENFISUNGM-NXEZZACHSA-N 0 1 351.363 -0.958 20 5 FBBDMN CCc1nc(C)c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001042976786 662218910 /nfs/dbraw/zinc/21/89/10/662218910.db2.gz UILRAXRODSUFLG-NXEZZACHSA-N 0 1 368.415 -0.018 20 5 FBBDMN CCOc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC001042976795 662218888 /nfs/dbraw/zinc/21/88/88/662218888.db2.gz USGQEBZJJRZYRR-PSASIEDQSA-N 0 1 354.319 -0.958 20 5 FBBDMN O=C(COc1ccsc1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976801 662219061 /nfs/dbraw/zinc/21/90/61/662219061.db2.gz UUKKCAVKLHULMI-GHMZBOCLSA-N 0 1 355.372 -0.518 20 5 FBBDMN CCc1nc(C)c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001042976802 662218967 /nfs/dbraw/zinc/21/89/67/662218967.db2.gz UUOPOEGGQDANED-NXEZZACHSA-N 0 1 352.347 -0.486 20 5 FBBDMN CCCc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC001042976817 662218870 /nfs/dbraw/zinc/21/88/70/662218870.db2.gz VOLXJBRETXAZPE-MWLCHTKSSA-N 0 1 352.347 -0.405 20 5 FBBDMN Cn1nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1Cl ZINC001042976828 662218883 /nfs/dbraw/zinc/21/88/83/662218883.db2.gz VZYBYEGYGVEUKV-VXNVDRBHSA-N 0 1 357.754 -0.958 20 5 FBBDMN CCn1ncc(Cl)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976829 662219013 /nfs/dbraw/zinc/21/90/13/662219013.db2.gz WCKRVUXFFMFSKD-PSASIEDQSA-N 0 1 371.781 -0.475 20 5 FBBDMN CC(C)c1oncc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976845 662218959 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0 1 354.388 -0.570 20 5 FBBDMN CCOc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001042977657 662219299 /nfs/dbraw/zinc/21/92/99/662219299.db2.gz BEHDRWRAHQSKDV-RKDXNWHRSA-N 0 1 354.319 -0.958 20 5 FBBDMN COc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC001042977679 662219269 /nfs/dbraw/zinc/21/92/69/662219269.db2.gz BNZRWIGOJPRBPY-HTQZYQBOSA-N 0 1 356.360 -0.880 20 5 FBBDMN CCc1onc(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977684 662219253 /nfs/dbraw/zinc/21/92/53/662219253.db2.gz BQMHCKVZAFKRHP-NXEZZACHSA-N 0 1 352.347 -0.486 20 5 FBBDMN O=C(Cc1ccccc1F)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977730 662219355 /nfs/dbraw/zinc/21/93/55/662219355.db2.gz CGFGBDUAPYRESS-DGCLKSJQSA-N 0 1 351.334 -0.277 20 5 FBBDMN O=C(CCc1nccs1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977750 662219290 /nfs/dbraw/zinc/21/92/90/662219290.db2.gz CLZIAWLMBHPBKT-NXEZZACHSA-N 0 1 354.388 -0.570 20 5 FBBDMN Cc1nc(CCC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001042977797 662219201 /nfs/dbraw/zinc/21/92/01/662219201.db2.gz CTQFBFWERVZUSJ-VXGBXAGGSA-N 0 1 368.415 -0.261 20 5 FBBDMN Cc1csc(CCC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001042977806 662219259 /nfs/dbraw/zinc/21/92/59/662219259.db2.gz CUMDZLJPIAXZBT-GHMZBOCLSA-N 0 1 368.415 -0.261 20 5 FBBDMN Cc1sccc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977832 662219383 /nfs/dbraw/zinc/21/93/83/662219383.db2.gz CYQHTMQLRXVIHG-VXGBXAGGSA-N 0 1 353.400 -0.046 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2ccc(F)c(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042977845 662219387 /nfs/dbraw/zinc/21/93/87/662219387.db2.gz DDNDWZJPEGCXDX-BXKDBHETSA-N 0 1 355.297 -0.067 20 5 FBBDMN CC(C)c1nocc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977853 662219161 /nfs/dbraw/zinc/21/91/61/662219161.db2.gz DEMQVNVVTMZJDA-MWLCHTKSSA-N 0 1 352.347 -0.234 20 5 FBBDMN Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(=O)[nH]1 ZINC001042977874 662219308 /nfs/dbraw/zinc/21/93/08/662219308.db2.gz DNANAPCPZYEQAR-GHMZBOCLSA-N 0 1 350.331 -0.936 20 5 FBBDMN O=C(CCCn1cccn1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977882 662219136 /nfs/dbraw/zinc/21/91/36/662219136.db2.gz DOFMXUVQZCPIDB-VXGBXAGGSA-N 0 1 351.363 -0.982 20 5 FBBDMN CCCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001042977885 662219177 /nfs/dbraw/zinc/21/91/77/662219177.db2.gz DQLKRDMNEWMJER-VXGBXAGGSA-N 0 1 351.363 -0.739 20 5 FBBDMN COc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001042977907 662219364 /nfs/dbraw/zinc/21/93/64/662219364.db2.gz DXBNPZKIHCUNPQ-GHMZBOCLSA-N 0 1 350.331 -0.942 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2cc(C(F)F)n[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042977949 662219233 /nfs/dbraw/zinc/21/92/33/662219233.db2.gz FUOUKVZBSTYACD-HZGVNTEJSA-N 0 1 359.289 -0.684 20 5 FBBDMN CCc1noc(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977967 662219280 /nfs/dbraw/zinc/21/92/80/662219280.db2.gz FYKJQBHXJVXMQN-MWLCHTKSSA-N 0 1 352.347 -0.486 20 5 FBBDMN Cc1ccc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001042978013 662219156 /nfs/dbraw/zinc/21/91/56/662219156.db2.gz GIROAWNHUBJEFF-VXGBXAGGSA-N 0 1 353.400 -0.046 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2cc(F)ccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978052 662219227 /nfs/dbraw/zinc/21/92/27/662219227.db2.gz HASWVXSILDMGMJ-ZYHUDNBSSA-N 0 1 355.297 -0.067 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2ccc(F)cc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978079 662219208 /nfs/dbraw/zinc/21/92/08/662219208.db2.gz HQKJOGDUWJCQKJ-ZYHUDNBSSA-N 0 1 355.297 -0.067 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2csc3cncn32)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978086 662219330 /nfs/dbraw/zinc/21/93/30/662219330.db2.gz HTHGUVXCBZMXQG-RKDXNWHRSA-N 0 1 365.371 -0.636 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)C2(CF)CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978109 662219195 /nfs/dbraw/zinc/21/91/95/662219195.db2.gz IBHJNPDPCBJEMI-GHMZBOCLSA-N 0 1 359.354 -0.893 20 5 FBBDMN CCn1nc(C)cc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978144 662219335 /nfs/dbraw/zinc/21/93/35/662219335.db2.gz INUPZAPKPMIDIH-GHMZBOCLSA-N 0 1 351.363 -0.820 20 5 FBBDMN O=C(Cc1ccc(F)cc1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978166 662219396 /nfs/dbraw/zinc/21/93/96/662219396.db2.gz IWXPNSWQEXCKAO-CHWSQXEVSA-N 0 1 351.334 -0.277 20 5 FBBDMN CCc1nc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001042978195 662219274 /nfs/dbraw/zinc/21/92/74/662219274.db2.gz IZBGWFATQQSMDF-GHMZBOCLSA-N 0 1 368.415 -0.397 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2ccncc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978208 662219344 /nfs/dbraw/zinc/21/93/44/662219344.db2.gz JEQVZVCCOANFKF-MWLCHTKSSA-N 0 1 354.750 -0.297 20 5 FBBDMN O=C(CCCn1cccc1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978371 662219421 /nfs/dbraw/zinc/21/94/21/662219421.db2.gz KYELCUPEOPIUGF-CHWSQXEVSA-N 0 1 350.375 -0.377 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2ocnc2C(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978389 662219149 /nfs/dbraw/zinc/21/91/49/662219149.db2.gz LLAYSYAPGATKOT-RNFRBKRXSA-N 0 1 360.273 -0.420 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2cc(C3CC3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978438 662219349 /nfs/dbraw/zinc/21/93/49/662219349.db2.gz MAYNBLZELDEOCN-MWLCHTKSSA-N 0 1 350.331 -0.480 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2scnc2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978440 662219142 /nfs/dbraw/zinc/21/91/42/662219142.db2.gz MCAXQTWFNCMPEP-NXEZZACHSA-N 0 1 366.399 -0.011 20 5 FBBDMN CCc1nnsc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978450 662219244 /nfs/dbraw/zinc/21/92/44/662219244.db2.gz MEYFSCHANVVUGG-VXNVDRBHSA-N 0 1 355.376 -0.931 20 5 FBBDMN Cc1cc(CCC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001042978505 662219188 /nfs/dbraw/zinc/21/91/88/662219188.db2.gz NQABJGWGYJNKDZ-VXGBXAGGSA-N 0 1 352.347 -0.730 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)C2(C(F)(F)F)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978554 662219719 /nfs/dbraw/zinc/21/97/19/662219719.db2.gz OTDFCFVYWNZCCU-HTQZYQBOSA-N 0 1 351.281 -0.316 20 5 FBBDMN Cc1noc(C)c1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978560 662219588 /nfs/dbraw/zinc/21/95/88/662219588.db2.gz OVZFDLIHDOAXSO-VXGBXAGGSA-N 0 1 352.347 -0.811 20 5 FBBDMN CC(C)c1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 ZINC001042978565 662219628 /nfs/dbraw/zinc/21/96/28/662219628.db2.gz OYZCVBUUIANPEN-BXKDBHETSA-N 0 1 351.363 -0.499 20 5 FBBDMN Cc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sc1C ZINC001042978711 662219622 /nfs/dbraw/zinc/21/96/22/662219622.db2.gz POVPWHLQDRBAOD-NXEZZACHSA-N 0 1 354.388 -0.272 20 5 FBBDMN Cc1cc(=O)[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978725 662219512 /nfs/dbraw/zinc/21/95/12/662219512.db2.gz PSPUEQPRMQOPCB-MWLCHTKSSA-N 0 1 350.331 -0.936 20 5 FBBDMN Cc1ncc(Cl)c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001042978737 662219656 /nfs/dbraw/zinc/21/96/56/662219656.db2.gz QEJXFAMFKRTIEE-PSASIEDQSA-N 0 1 369.765 -0.593 20 5 FBBDMN CCc1[nH]nc(Cl)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978742 662219575 /nfs/dbraw/zinc/21/95/75/662219575.db2.gz QEMSDGIKBOXVGB-VXNVDRBHSA-N 0 1 371.781 -0.406 20 5 FBBDMN O=C(Cc1ccncc1Cl)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978750 662219725 /nfs/dbraw/zinc/21/97/25/662219725.db2.gz QJVULZVZJBTZQO-ZYHUDNBSSA-N 0 1 368.777 -0.368 20 5 FBBDMN CC(C)n1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001042978763 662219578 /nfs/dbraw/zinc/21/95/78/662219578.db2.gz QSZQVGNCERJULF-ZYHUDNBSSA-N 0 1 351.363 -0.568 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2ocnc2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978813 662219678 /nfs/dbraw/zinc/21/96/78/662219678.db2.gz RMBROQYJRJACKA-NXEZZACHSA-N 0 1 350.331 -0.480 20 5 FBBDMN O=C(CC(F)(F)C(F)F)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978829 662219550 /nfs/dbraw/zinc/21/95/50/662219550.db2.gz RVPRBWGGAZWWQU-RNFRBKRXSA-N 0 1 357.260 -0.368 20 5 FBBDMN O=C(CCC1CCOCC1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978846 662219711 /nfs/dbraw/zinc/21/97/11/662219711.db2.gz SBHSHGCTURPDFW-CHWSQXEVSA-N 0 1 355.391 -0.452 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2conc2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978856 662219649 /nfs/dbraw/zinc/21/96/49/662219649.db2.gz SFHQGOXYTUMQCD-MWLCHTKSSA-N 0 1 350.331 -0.480 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2ncsc2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978863 662219610 /nfs/dbraw/zinc/21/96/10/662219610.db2.gz SHMJQTMYYOZPMC-NXEZZACHSA-N 0 1 366.399 -0.011 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2scnc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978871 662219522 /nfs/dbraw/zinc/21/95/22/662219522.db2.gz SNFNRLMHFLQYFZ-RNFRBKRXSA-N 0 1 360.779 -0.235 20 5 FBBDMN Cc1c(Cl)c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1C ZINC001042978944 662219525 /nfs/dbraw/zinc/21/95/25/662219525.db2.gz TXWCSDVAPKGXAP-RKDXNWHRSA-N 0 1 371.781 -0.650 20 5 FBBDMN Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1C ZINC001042978947 662219597 /nfs/dbraw/zinc/21/95/97/662219597.db2.gz TYTUQJVJBOKASF-CHWSQXEVSA-N 0 1 350.375 -0.390 20 5 FBBDMN Cc1[nH]nc(Cl)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978964 662219602 /nfs/dbraw/zinc/21/96/02/662219602.db2.gz UGKXWUDOTFVSAA-HTQZYQBOSA-N 0 1 357.754 -0.660 20 5 FBBDMN Cc1nc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001042978974 662219705 /nfs/dbraw/zinc/21/97/05/662219705.db2.gz UMKVNYKPIXBVMX-GHMZBOCLSA-N 0 1 354.388 -0.651 20 5 FBBDMN Cc1ccc(CCC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001042979015 662219557 /nfs/dbraw/zinc/21/95/57/662219557.db2.gz UQXHRGFGGVSUGW-CHWSQXEVSA-N 0 1 351.359 -0.125 20 5 FBBDMN CC(C)c1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001042979167 662219638 /nfs/dbraw/zinc/21/96/38/662219638.db2.gz VGUCQUYEGWIZRI-MWLCHTKSSA-N 0 1 352.347 -0.234 20 5 FBBDMN Cc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)s1 ZINC001042979171 662219584 /nfs/dbraw/zinc/21/95/84/662219584.db2.gz VLGJLEIECFISIX-NXEZZACHSA-N 0 1 354.388 -0.272 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2ncc(Cl)s2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042979172 662219531 /nfs/dbraw/zinc/21/95/31/662219531.db2.gz VMZHYRMMDLAHQA-RNFRBKRXSA-N 0 1 360.779 -0.235 20 5 FBBDMN CCc1c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1C ZINC001042979215 662219545 /nfs/dbraw/zinc/21/95/45/662219545.db2.gz WXGUAMTWCHDOBZ-DGCLKSJQSA-N 0 1 350.375 -0.444 20 5 FBBDMN COCc1ncsc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042979217 662219689 /nfs/dbraw/zinc/21/96/89/662219689.db2.gz WXJXSIDUHWMFBI-PSASIEDQSA-N 0 1 370.387 -0.742 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2nc3c(s2)CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042979223 662219571 /nfs/dbraw/zinc/21/95/71/662219571.db2.gz XATXTBLEEOZCOK-PSASIEDQSA-N 0 1 366.399 -0.400 20 5 FBBDMN O=C(Cc1cccc(F)c1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042979229 662219565 /nfs/dbraw/zinc/21/95/65/662219565.db2.gz 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O=C(NCC1(O)CN(C(=O)c2cc(F)cc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042979302 662219593 /nfs/dbraw/zinc/21/95/93/662219593.db2.gz XXBANMPWWUIHQO-VXGBXAGGSA-N 0 1 355.297 -0.067 20 5 FBBDMN Cc1nc(C)c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001042979322 662219684 /nfs/dbraw/zinc/21/96/84/662219684.db2.gz YDRYDBLMHAINQM-NXEZZACHSA-N 0 1 354.388 -0.272 20 5 FBBDMN O=C(Cc1ccc(F)cn1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042979326 662219662 /nfs/dbraw/zinc/21/96/62/662219662.db2.gz YFRXHTKFVDIWNM-VXGBXAGGSA-N 0 1 352.322 -0.882 20 5 FBBDMN CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1 ZINC001042979341 662219978 /nfs/dbraw/zinc/21/99/78/662219978.db2.gz YMGDLFXIYGGJOL-ZYHUDNBSSA-N 0 1 351.363 -0.820 20 5 FBBDMN COCc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001042979402 662219982 /nfs/dbraw/zinc/21/99/82/662219982.db2.gz ZHLFVNHZNCTTMC-GHMZBOCLSA-N 0 1 353.331 -0.606 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2snnc2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042979405 662219971 /nfs/dbraw/zinc/21/99/71/662219971.db2.gz ZQNFEYYNRAWIAM-RKDXNWHRSA-N 0 1 367.387 -0.616 20 5 FBBDMN CCCc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042980850 662219939 /nfs/dbraw/zinc/21/99/39/662219939.db2.gz AQBJDQCOICWMDV-BXKDBHETSA-N 0 1 351.363 -0.670 20 5 FBBDMN O=C(COC1CCCCC1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042980870 662220024 /nfs/dbraw/zinc/22/00/24/662220024.db2.gz BNLRNFSJNKFRMJ-CHWSQXEVSA-N 0 1 355.391 -0.310 20 5 FBBDMN CC(C)c1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001042980874 662220057 /nfs/dbraw/zinc/22/00/57/662220057.db2.gz BSBJFGUZRRIAEY-MWLCHTKSSA-N 0 1 352.347 -0.234 20 5 FBBDMN COc1ccnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001042980876 662219895 /nfs/dbraw/zinc/21/98/95/662219895.db2.gz BWLOVPNUVJUKCF-ZYHUDNBSSA-N 0 1 350.331 -0.942 20 5 FBBDMN CCn1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1C ZINC001042980882 662219952 /nfs/dbraw/zinc/21/99/52/662219952.db2.gz CAJOISBGKWINJM-CHWSQXEVSA-N 0 1 350.375 -0.215 20 5 FBBDMN O=C(Cc1ncccc1F)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042980888 662219956 /nfs/dbraw/zinc/21/99/56/662219956.db2.gz CKSJIVITNPZICJ-BXKDBHETSA-N 0 1 352.322 -0.882 20 5 FBBDMN COc1csc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001042980918 662219948 /nfs/dbraw/zinc/21/99/48/662219948.db2.gz DLLMTDJARCQMBS-NXEZZACHSA-N 0 1 355.372 -0.275 20 5 FBBDMN Cc1nn(C)c(Cl)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042980939 662219922 /nfs/dbraw/zinc/21/99/22/662219922.db2.gz GCSLAVSCCRXGAC-RKDXNWHRSA-N 0 1 371.781 -0.650 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2nc(Cl)cs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042981068 662219960 /nfs/dbraw/zinc/21/99/60/662219960.db2.gz HJOHPCGDXSWCFN-RNFRBKRXSA-N 0 1 360.779 -0.235 20 5 FBBDMN O=C(CCc1cscn1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042981090 662220018 /nfs/dbraw/zinc/22/00/18/662220018.db2.gz HXPNGBJSLPDNKG-GHMZBOCLSA-N 0 1 354.388 -0.570 20 5 FBBDMN CCc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)o1 ZINC001042981108 662219914 /nfs/dbraw/zinc/21/99/14/662219914.db2.gz IKJBGKUBNSLSIA-NXEZZACHSA-N 0 1 352.347 -0.486 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2cnc(C3CC3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042981227 662219944 /nfs/dbraw/zinc/21/99/44/662219944.db2.gz KLSLKMMAANQSJT-NXEZZACHSA-N 0 1 350.331 -0.480 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2cc(C3CC3)on2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042981239 662219888 /nfs/dbraw/zinc/21/98/88/662219888.db2.gz KYKBXIFSYWSSFV-MWLCHTKSSA-N 0 1 350.331 -0.480 20 5 FBBDMN Cc1nn(C)c(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042981243 662219926 /nfs/dbraw/zinc/21/99/26/662219926.db2.gz LBMWMPHCTRPVFN-GHMZBOCLSA-N 0 1 351.363 -0.995 20 5 FBBDMN Cc1nc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)s1 ZINC001042981270 662220013 /nfs/dbraw/zinc/22/00/13/662220013.db2.gz MDXKSBVPJLDXPI-ZYHUDNBSSA-N 0 1 368.415 -0.343 20 5 FBBDMN O=C(CCCn1ccnc1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042981328 662220039 /nfs/dbraw/zinc/22/00/39/662220039.db2.gz NNWKDGNQFHDYPY-VXGBXAGGSA-N 0 1 351.363 -0.982 20 5 FBBDMN O=C(NCC1(O)CN(C(=O)c2ncc(F)cc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042981388 662220001 /nfs/dbraw/zinc/22/00/01/662220001.db2.gz OSKVMOVOFHWIHW-PSASIEDQSA-N 0 1 356.285 -0.672 20 5 FBBDMN CCc1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001042981414 662219873 /nfs/dbraw/zinc/21/98/73/662219873.db2.gz PYDBXLZPDIYEFF-RKDXNWHRSA-N 0 1 354.388 -0.326 20 5 FBBDMN Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1Cl ZINC001042981416 662220076 /nfs/dbraw/zinc/22/00/76/662220076.db2.gz QAYSVIDHMHIWSV-VXNVDRBHSA-N 0 1 357.754 -0.958 20 5 FBBDMN O=C(CCOCC(F)(F)F)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042981447 662220052 /nfs/dbraw/zinc/22/00/52/662220052.db2.gz RHYXSGZMRVKYRN-RKDXNWHRSA-N 0 1 369.296 -0.690 20 5 FBBDMN COc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC001042981455 662219997 /nfs/dbraw/zinc/21/99/97/662219997.db2.gz 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