smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(S(=O)(=O)c2cccnc2N2CC[NH+](CCO)CC2)CC1 ZINC000000987869 132379417 /nfs/dbraw/zinc/37/94/17/132379417.db2.gz LPRPXPRQHDKSRX-UHFFFAOYSA-N 1 2 369.491 -0.868 50 0 FBAALO O=S(=O)(c1cnccc1N1CC[NH+](CCO)CC1)N1CCOCC1 ZINC000000987875 132379403 /nfs/dbraw/zinc/37/94/03/132379403.db2.gz PMMWMORLKHLOJG-UHFFFAOYSA-N 1 2 356.448 -0.783 50 0 FBAALO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCC(C(N)=O)CC3)nc2)CC1 ZINC000003440136 132385345 /nfs/dbraw/zinc/38/53/45/132385345.db2.gz WQCLFCFHESKRMM-UHFFFAOYSA-N 1 2 367.475 -0.281 50 0 FBAALO CC[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(N)=O ZINC000004019767 485001054 /nfs/dbraw/zinc/00/10/54/485001054.db2.gz GPDDFUYAYRURSD-LLVKDONJSA-N 1 2 362.434 -0.317 50 0 FBAALO CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(N)=O ZINC000004019767 485001048 /nfs/dbraw/zinc/00/10/48/485001048.db2.gz GPDDFUYAYRURSD-LLVKDONJSA-N 1 2 362.434 -0.317 50 0 FBAALO CC[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(N)=O ZINC000004019768 485000489 /nfs/dbraw/zinc/00/04/89/485000489.db2.gz GPDDFUYAYRURSD-NSHDSACASA-N 1 2 362.434 -0.317 50 0 FBAALO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(N)=O ZINC000004019768 485000484 /nfs/dbraw/zinc/00/04/84/485000484.db2.gz GPDDFUYAYRURSD-NSHDSACASA-N 1 2 362.434 -0.317 50 0 FBAALO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C1 ZINC000004384188 483459392 /nfs/dbraw/zinc/45/93/92/483459392.db2.gz BEMWZNFVEHCAJZ-PHIMTYICSA-N 1 2 362.434 -0.603 50 0 FBAALO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C1 ZINC000004384188 483459387 /nfs/dbraw/zinc/45/93/87/483459387.db2.gz BEMWZNFVEHCAJZ-PHIMTYICSA-N 1 2 362.434 -0.603 50 0 FBAALO C[C@H]1C[C@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C1 ZINC000004384189 207017109 /nfs/dbraw/zinc/01/71/09/207017109.db2.gz BEMWZNFVEHCAJZ-QWRGUYRKSA-N 1 2 362.434 -0.603 50 0 FBAALO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C1 ZINC000004384190 204137662 /nfs/dbraw/zinc/13/76/62/204137662.db2.gz BEMWZNFVEHCAJZ-GHMZBOCLSA-N 1 2 362.434 -0.603 50 0 FBAALO O=c1[nH]cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000004480005 219578167 /nfs/dbraw/zinc/57/81/67/219578167.db2.gz QBIPJAAIDNNTIJ-UHFFFAOYSA-N 1 2 350.400 -0.430 50 0 FBAALO COc1cc([C@@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)ccc1OCC(N)=O ZINC000004625607 483681039 /nfs/dbraw/zinc/68/10/39/483681039.db2.gz PXUWMXUGFGZWJO-CQSZACIVSA-N 1 2 358.358 -0.422 50 0 FBAALO COc1cc([C@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)ccc1OCC(N)=O ZINC000004694721 207038535 /nfs/dbraw/zinc/03/85/35/207038535.db2.gz PXUWMXUGFGZWJO-AWEZNQCLSA-N 1 2 358.358 -0.422 50 0 FBAALO Cn1c(N)c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(=O)[nH]c1=O ZINC000004748355 483576044 /nfs/dbraw/zinc/57/60/44/483576044.db2.gz BYTUPVZITNSAQA-UHFFFAOYSA-N 1 2 359.386 -0.293 50 0 FBAALO CCOC(=O)N1CCN(c2c(=O)c(=O)c2N2CC[NH+](CC)CC2)CC1 ZINC000005068868 204189644 /nfs/dbraw/zinc/18/96/44/204189644.db2.gz HTQUGTDIMJNEHO-UHFFFAOYSA-N 1 2 350.419 -0.297 50 0 FBAALO C[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)CO ZINC000005082998 483889798 /nfs/dbraw/zinc/88/97/98/483889798.db2.gz XNJAUFDVBCUWDB-NEPJUHHUSA-N 1 2 365.434 -0.839 50 0 FBAALO C[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)CO ZINC000005082998 483889797 /nfs/dbraw/zinc/88/97/97/483889797.db2.gz XNJAUFDVBCUWDB-NEPJUHHUSA-N 1 2 365.434 -0.839 50 0 FBAALO CC1CC[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)CO)CC1 ZINC000005701535 204221801 /nfs/dbraw/zinc/22/18/01/204221801.db2.gz JUUIKTDCLKOIGI-LBPRGKRZSA-N 1 2 365.434 -0.981 50 0 FBAALO CC1CC[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)CO)CC1 ZINC000005701539 207114236 /nfs/dbraw/zinc/11/42/36/207114236.db2.gz JUUIKTDCLKOIGI-GFCCVEGCSA-N 1 2 365.434 -0.981 50 0 FBAALO COC(=O)Cn1c(C[NH+]2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000005824519 204227414 /nfs/dbraw/zinc/22/74/14/204227414.db2.gz IUOOPMUYSYFVAM-UHFFFAOYSA-N 1 2 363.418 -0.161 50 0 FBAALO COC(=O)Cn1c(C[N@H+]2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000005898155 204229218 /nfs/dbraw/zinc/22/92/18/204229218.db2.gz WFTKEQMTCDOEEE-LLVKDONJSA-N 1 2 363.418 -0.019 50 0 FBAALO COC(=O)Cn1c(C[N@@H+]2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000005898155 204229216 /nfs/dbraw/zinc/22/92/16/204229216.db2.gz WFTKEQMTCDOEEE-LLVKDONJSA-N 1 2 363.418 -0.019 50 0 FBAALO C[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)CO ZINC000005999252 483478787 /nfs/dbraw/zinc/47/87/87/483478787.db2.gz XNJAUFDVBCUWDB-RYUDHWBXSA-N 1 2 365.434 -0.839 50 0 FBAALO C[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)CO ZINC000005999252 483478784 /nfs/dbraw/zinc/47/87/84/483478784.db2.gz XNJAUFDVBCUWDB-RYUDHWBXSA-N 1 2 365.434 -0.839 50 0 FBAALO COC(=O)Cn1c(C[N@H+]2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000006129844 204238766 /nfs/dbraw/zinc/23/87/66/204238766.db2.gz WFTKEQMTCDOEEE-NSHDSACASA-N 1 2 363.418 -0.019 50 0 FBAALO COC(=O)Cn1c(C[N@@H+]2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000006129844 204238764 /nfs/dbraw/zinc/23/87/64/204238764.db2.gz WFTKEQMTCDOEEE-NSHDSACASA-N 1 2 363.418 -0.019 50 0 FBAALO O=C(Cn1[nH]c(=O)ccc1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000008708145 485063835 /nfs/dbraw/zinc/06/38/35/485063835.db2.gz OVEQPLAVYLPEQU-UHFFFAOYSA-N 1 2 350.419 -0.312 50 0 FBAALO CC(C)(CNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)[NH+]1CCOCC1 ZINC000008735524 207245131 /nfs/dbraw/zinc/24/51/31/207245131.db2.gz BMBNCQPIGFDLMJ-UHFFFAOYSA-N 1 2 360.414 -0.083 50 0 FBAALO C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CC(N)=O)n(C)c1=O ZINC000010387140 204019478 /nfs/dbraw/zinc/01/94/78/204019478.db2.gz SWCXPVVQPVZAFG-BRAIEQGRSA-N 1 2 359.390 -0.285 50 0 FBAALO C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3CC(N)=O)n(C)c1=O ZINC000010387141 485143525 /nfs/dbraw/zinc/14/35/25/485143525.db2.gz SWCXPVVQPVZAFG-PORFMDCZSA-N 1 2 359.390 -0.285 50 0 FBAALO Cn1ncc2c1nc[nH+]c2SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000011676732 207319046 /nfs/dbraw/zinc/31/90/46/207319046.db2.gz KITSVVFSHUJGBF-UHFFFAOYSA-N 1 2 361.387 -0.682 50 0 FBAALO Cn1ncc2c1nc[nH+]c2SCC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000011685668 207317872 /nfs/dbraw/zinc/31/78/72/207317872.db2.gz UYXDEZFNVBSGTC-UHFFFAOYSA-N 1 2 370.460 -0.441 50 0 FBAALO CC(=O)N1CCC[N@H+]([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2O)CC1 ZINC000011933671 660455995 /nfs/dbraw/zinc/45/59/95/660455995.db2.gz CUZHUUZHIBJVFW-IRXDYDNUSA-N 1 2 367.471 -0.025 50 0 FBAALO CC(=O)N1CCC[N@@H+]([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2O)CC1 ZINC000011933671 660455993 /nfs/dbraw/zinc/45/59/93/660455993.db2.gz CUZHUUZHIBJVFW-IRXDYDNUSA-N 1 2 367.471 -0.025 50 0 FBAALO C[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)CO ZINC000012033716 483593525 /nfs/dbraw/zinc/59/35/25/483593525.db2.gz XNJAUFDVBCUWDB-VXGBXAGGSA-N 1 2 365.434 -0.839 50 0 FBAALO C[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)CO ZINC000012033716 483593520 /nfs/dbraw/zinc/59/35/20/483593520.db2.gz XNJAUFDVBCUWDB-VXGBXAGGSA-N 1 2 365.434 -0.839 50 0 FBAALO C[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)CO ZINC000012033717 483593004 /nfs/dbraw/zinc/59/30/04/483593004.db2.gz XNJAUFDVBCUWDB-NWDGAFQWSA-N 1 2 365.434 -0.839 50 0 FBAALO C[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)CO ZINC000012033717 483592998 /nfs/dbraw/zinc/59/29/98/483592998.db2.gz XNJAUFDVBCUWDB-NWDGAFQWSA-N 1 2 365.434 -0.839 50 0 FBAALO CCOC(=O)N1CCN(C(=O)Cn2nnnc2C[NH+]2CCCC2)CC1 ZINC000012090721 483452915 /nfs/dbraw/zinc/45/29/15/483452915.db2.gz DIGQYLFKDZGSGQ-UHFFFAOYSA-N 1 2 351.411 -0.430 50 0 FBAALO CCOC(=O)C[C@@H]1COCCN1C(=O)Cn1nnnc1C[NH+]1CCCC1 ZINC000012297599 207353333 /nfs/dbraw/zinc/35/33/33/207353333.db2.gz QLCYGHOOQXYRKC-CYBMUJFWSA-N 1 2 366.422 -0.551 50 0 FBAALO CCOC(=O)C[C@H]1COCCN1C(=O)Cn1nnnc1C[NH+]1CCCC1 ZINC000012297600 483453678 /nfs/dbraw/zinc/45/36/78/483453678.db2.gz QLCYGHOOQXYRKC-ZDUSSCGKSA-N 1 2 366.422 -0.551 50 0 FBAALO CCOC(=O)N1CCN(C(=O)Cn2nnnc2C[N@@H+](C)C(C)C)CC1 ZINC000012386604 483455006 /nfs/dbraw/zinc/45/50/06/483455006.db2.gz YVJFTQNZJNJHNH-UHFFFAOYSA-N 1 2 353.427 -0.186 50 0 FBAALO CCOC(=O)N1CCN(C(=O)Cn2nnnc2C[N@H+](C)C(C)C)CC1 ZINC000012386604 483455001 /nfs/dbraw/zinc/45/50/01/483455001.db2.gz YVJFTQNZJNJHNH-UHFFFAOYSA-N 1 2 353.427 -0.186 50 0 FBAALO O=CN1CCC[N@H+]([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2O)CC1 ZINC000012438125 483455438 /nfs/dbraw/zinc/45/54/38/483455438.db2.gz QXJSONYJRGGJPO-HOTGVXAUSA-N 1 2 353.444 -0.416 50 0 FBAALO O=CN1CCC[N@@H+]([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2O)CC1 ZINC000012438125 483455432 /nfs/dbraw/zinc/45/54/32/483455432.db2.gz QXJSONYJRGGJPO-HOTGVXAUSA-N 1 2 353.444 -0.416 50 0 FBAALO O=C(CNC(=O)Cn1cnc2ccccc2c1=O)NCCc1c[nH]c[nH+]1 ZINC000012663599 206296015 /nfs/dbraw/zinc/29/60/15/206296015.db2.gz IETNTUZMTCXPJK-UHFFFAOYSA-N 1 2 354.370 -0.405 50 0 FBAALO O=C(CNC(=O)Cn1cnc2ccccc2c1=O)NCCc1c[nH+]c[nH]1 ZINC000012663599 206296010 /nfs/dbraw/zinc/29/60/10/206296010.db2.gz IETNTUZMTCXPJK-UHFFFAOYSA-N 1 2 354.370 -0.405 50 0 FBAALO CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000012687282 483882886 /nfs/dbraw/zinc/88/28/86/483882886.db2.gz VYEBKWLYMUFMOF-UHFFFAOYSA-N 1 2 367.475 -0.314 50 0 FBAALO Cn1nc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c(=O)n(C)c1=O ZINC000012770499 132862920 /nfs/dbraw/zinc/86/29/20/132862920.db2.gz JGGJKHJUNNCTIQ-UHFFFAOYSA-N 1 2 364.450 -0.996 50 0 FBAALO O=c1cc(C[NH+]2CCN(c3ccc4nnnn4n3)CC2)nc2ccccn12 ZINC000012923789 132864445 /nfs/dbraw/zinc/86/44/45/132864445.db2.gz KJKOHKOGOZYUDQ-UHFFFAOYSA-N 1 2 363.385 -0.151 50 0 FBAALO CNC(=O)NC(=O)CC[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000012924000 220043320 /nfs/dbraw/zinc/04/33/20/220043320.db2.gz GUTNGSXVIPWZHB-UHFFFAOYSA-N 1 2 373.435 -0.557 50 0 FBAALO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)CO)CC2)cc1OC ZINC000012997720 483460380 /nfs/dbraw/zinc/46/03/80/483460380.db2.gz JIWGVGVTOAMTSG-GFCCVEGCSA-N 1 2 360.432 -0.637 50 0 FBAALO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)CO)CC2)cc1OC ZINC000012997722 220050925 /nfs/dbraw/zinc/05/09/25/220050925.db2.gz JIWGVGVTOAMTSG-LBPRGKRZSA-N 1 2 360.432 -0.637 50 0 FBAALO COCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000013371632 220065749 /nfs/dbraw/zinc/06/57/49/220065749.db2.gz SSPOAVAACHJERZ-KBPBESRZSA-N 1 2 363.457 -0.130 50 0 FBAALO Cn1nnc2c1ncnc2N1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000013533876 484988539 /nfs/dbraw/zinc/98/85/39/484988539.db2.gz FNMRADGTYSPZAO-LBPRGKRZSA-N 1 2 360.422 -0.825 50 0 FBAALO Cn1nnc2c1ncnc2N1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000013533880 484989376 /nfs/dbraw/zinc/98/93/76/484989376.db2.gz FNMRADGTYSPZAO-GFCCVEGCSA-N 1 2 360.422 -0.825 50 0 FBAALO COc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc(OC)c1OC ZINC000013693360 220086961 /nfs/dbraw/zinc/08/69/61/220086961.db2.gz SMJSWFYLAPEINX-UHFFFAOYSA-N 1 2 367.402 -0.213 50 0 FBAALO COc1cc(C(=S)N2CC[NH+](CCO)CC2)ccc1OCC(N)=O ZINC000013718380 483462750 /nfs/dbraw/zinc/46/27/50/483462750.db2.gz LSXPCIHWWQXGSX-UHFFFAOYSA-N 1 2 353.444 -0.155 50 0 FBAALO 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-0.312 50 0 FBAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1n[nH]c(=O)[nH]1 ZINC000072156404 483728218 /nfs/dbraw/zinc/72/82/18/483728218.db2.gz WHHWNMDBBQPHCP-AWEZNQCLSA-N 1 2 372.429 -0.544 50 0 FBAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1n[nH]c(=O)[nH]1 ZINC000072156404 483728217 /nfs/dbraw/zinc/72/82/17/483728217.db2.gz WHHWNMDBBQPHCP-AWEZNQCLSA-N 1 2 372.429 -0.544 50 0 FBAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1n[nH]c(=O)[nH]1 ZINC000072156406 483727738 /nfs/dbraw/zinc/72/77/38/483727738.db2.gz WHHWNMDBBQPHCP-CQSZACIVSA-N 1 2 372.429 -0.544 50 0 FBAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1n[nH]c(=O)[nH]1 ZINC000072156406 483727734 /nfs/dbraw/zinc/72/77/34/483727734.db2.gz WHHWNMDBBQPHCP-CQSZACIVSA-N 1 2 372.429 -0.544 50 0 FBAALO CCOc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCNC(=O)C1 ZINC000072157695 483728359 /nfs/dbraw/zinc/72/83/59/483728359.db2.gz RMBGQBTWCZOBPA-HNNXBMFYSA-N 1 2 374.441 -0.266 50 0 FBAALO CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCNC(=O)C1 ZINC000072157695 483728357 /nfs/dbraw/zinc/72/83/57/483728357.db2.gz RMBGQBTWCZOBPA-HNNXBMFYSA-N 1 2 374.441 -0.266 50 0 FBAALO CCOc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCNC(=O)C1 ZINC000072157697 483728198 /nfs/dbraw/zinc/72/81/98/483728198.db2.gz RMBGQBTWCZOBPA-OAHLLOKOSA-N 1 2 374.441 -0.266 50 0 FBAALO CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCNC(=O)C1 ZINC000072157697 483728195 /nfs/dbraw/zinc/72/81/95/483728195.db2.gz RMBGQBTWCZOBPA-OAHLLOKOSA-N 1 2 374.441 -0.266 50 0 FBAALO Cn1ncc(N2CC[C@H](CNC(=O)c3cn4c(n3)C[NH2+]CC4)C2)cc1=O ZINC000072157862 208816692 /nfs/dbraw/zinc/81/66/92/208816692.db2.gz NQTRYCFQTFYQEX-GFCCVEGCSA-N 1 2 357.418 -0.664 50 0 FBAALO Cn1ncc(N2CC[C@@H](CNC(=O)c3cn4c(n3)C[NH2+]CC4)C2)cc1=O ZINC000072157864 483728127 /nfs/dbraw/zinc/72/81/27/483728127.db2.gz NQTRYCFQTFYQEX-LBPRGKRZSA-N 1 2 357.418 -0.664 50 0 FBAALO CNS(=O)(=O)CCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1 ZINC000072158159 483727546 /nfs/dbraw/zinc/72/75/46/483727546.db2.gz DMYIIQNZXHWPSE-CQSZACIVSA-N 1 2 368.459 -0.958 50 0 FBAALO CNS(=O)(=O)CCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1 ZINC000072158159 483727543 /nfs/dbraw/zinc/72/75/43/483727543.db2.gz DMYIIQNZXHWPSE-CQSZACIVSA-N 1 2 368.459 -0.958 50 0 FBAALO CNS(=O)(=O)CCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1 ZINC000072158160 483728189 /nfs/dbraw/zinc/72/81/89/483728189.db2.gz DMYIIQNZXHWPSE-AWEZNQCLSA-N 1 2 368.459 -0.958 50 0 FBAALO CNS(=O)(=O)CCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1 ZINC000072158160 483728187 /nfs/dbraw/zinc/72/81/87/483728187.db2.gz DMYIIQNZXHWPSE-AWEZNQCLSA-N 1 2 368.459 -0.958 50 0 FBAALO CCC(CO)(CO)NC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cc1 ZINC000072161885 483728204 /nfs/dbraw/zinc/72/82/04/483728204.db2.gz LNJDGENUTBDLRK-MRXNPFEDSA-N 1 2 363.458 -0.065 50 0 FBAALO CCC(CO)(CO)NC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1 ZINC000072161885 483728203 /nfs/dbraw/zinc/72/82/03/483728203.db2.gz LNJDGENUTBDLRK-MRXNPFEDSA-N 1 2 363.458 -0.065 50 0 FBAALO CCC(CO)(CO)NC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cc1 ZINC000072161886 483728259 /nfs/dbraw/zinc/72/82/59/483728259.db2.gz LNJDGENUTBDLRK-INIZCTEOSA-N 1 2 363.458 -0.065 50 0 FBAALO CCC(CO)(CO)NC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1 ZINC000072161886 483728258 /nfs/dbraw/zinc/72/82/58/483728258.db2.gz LNJDGENUTBDLRK-INIZCTEOSA-N 1 2 363.458 -0.065 50 0 FBAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2nn[nH]n2)cc1C ZINC000072162395 483729191 /nfs/dbraw/zinc/72/91/91/483729191.db2.gz BJZPFECNXWMWEZ-ZDUSSCGKSA-N 1 2 373.417 -0.476 50 0 FBAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2nn[nH]n2)cc1C ZINC000072162395 483729189 /nfs/dbraw/zinc/72/91/89/483729189.db2.gz BJZPFECNXWMWEZ-ZDUSSCGKSA-N 1 2 373.417 -0.476 50 0 FBAALO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCc2nn[nH]n2)cc1C ZINC000072162396 483729181 /nfs/dbraw/zinc/72/91/81/483729181.db2.gz BJZPFECNXWMWEZ-CYBMUJFWSA-N 1 2 373.417 -0.476 50 0 FBAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCc2nn[nH]n2)cc1C ZINC000072162396 483729178 /nfs/dbraw/zinc/72/91/78/483729178.db2.gz BJZPFECNXWMWEZ-CYBMUJFWSA-N 1 2 373.417 -0.476 50 0 FBAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCc1nn[nH]n1 ZINC000072162813 483728846 /nfs/dbraw/zinc/72/88/46/483728846.db2.gz UVHALRKIPDNLOQ-HNNXBMFYSA-N 1 2 371.445 -0.052 50 0 FBAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCc1nn[nH]n1 ZINC000072162813 483728841 /nfs/dbraw/zinc/72/88/41/483728841.db2.gz UVHALRKIPDNLOQ-HNNXBMFYSA-N 1 2 371.445 -0.052 50 0 FBAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCCc1nn[nH]n1 ZINC000072162814 483729103 /nfs/dbraw/zinc/72/91/03/483729103.db2.gz UVHALRKIPDNLOQ-OAHLLOKOSA-N 1 2 371.445 -0.052 50 0 FBAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCCc1nn[nH]n1 ZINC000072162814 483729097 /nfs/dbraw/zinc/72/90/97/483729097.db2.gz UVHALRKIPDNLOQ-OAHLLOKOSA-N 1 2 371.445 -0.052 50 0 FBAALO C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1cc(NCCO)nc(N)[nH+]1)CC2 ZINC000072164868 136143510 /nfs/dbraw/zinc/14/35/10/136143510.db2.gz DRAJBLDTLSAIAK-LLVKDONJSA-N 1 2 350.423 -0.162 50 0 FBAALO C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1cc(NCCO)nc(N)[nH+]1)CC2 ZINC000072164868 136143509 /nfs/dbraw/zinc/14/35/09/136143509.db2.gz DRAJBLDTLSAIAK-LLVKDONJSA-N 1 2 350.423 -0.162 50 0 FBAALO C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1cc(NCCO)[nH+]c(N)n1)CC2 ZINC000072164868 136143508 /nfs/dbraw/zinc/14/35/08/136143508.db2.gz DRAJBLDTLSAIAK-LLVKDONJSA-N 1 2 350.423 -0.162 50 0 FBAALO C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1cc(NCCO)[nH+]c(N)n1)CC2 ZINC000072164868 136143507 /nfs/dbraw/zinc/14/35/07/136143507.db2.gz DRAJBLDTLSAIAK-LLVKDONJSA-N 1 2 350.423 -0.162 50 0 FBAALO C[N@H+]1CC2(C[C@H]1C(=O)[O-])CCN(c1cc(NCCO)nc(N)[nH+]1)CC2 ZINC000072164869 136143558 /nfs/dbraw/zinc/14/35/58/136143558.db2.gz DRAJBLDTLSAIAK-NSHDSACASA-N 1 2 350.423 -0.162 50 0 FBAALO C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(c1cc(NCCO)nc(N)[nH+]1)CC2 ZINC000072164869 136143557 /nfs/dbraw/zinc/14/35/57/136143557.db2.gz DRAJBLDTLSAIAK-NSHDSACASA-N 1 2 350.423 -0.162 50 0 FBAALO C[N@H+]1CC2(C[C@H]1C(=O)[O-])CCN(c1cc(NCCO)[nH+]c(N)n1)CC2 ZINC000072164869 136143556 /nfs/dbraw/zinc/14/35/56/136143556.db2.gz DRAJBLDTLSAIAK-NSHDSACASA-N 1 2 350.423 -0.162 50 0 FBAALO C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(c1cc(NCCO)[nH+]c(N)n1)CC2 ZINC000072164869 136143555 /nfs/dbraw/zinc/14/35/55/136143555.db2.gz DRAJBLDTLSAIAK-NSHDSACASA-N 1 2 350.423 -0.162 50 0 FBAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NC(CO)CO)cc1C ZINC000072166400 483728691 /nfs/dbraw/zinc/72/86/91/483728691.db2.gz ANCPALQOQIEIRY-HNNXBMFYSA-N 1 2 365.430 -0.836 50 0 FBAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NC(CO)CO)cc1C ZINC000072166400 483728689 /nfs/dbraw/zinc/72/86/89/483728689.db2.gz ANCPALQOQIEIRY-HNNXBMFYSA-N 1 2 365.430 -0.836 50 0 FBAALO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NC(CO)CO)cc1C ZINC000072166401 483728824 /nfs/dbraw/zinc/72/88/24/483728824.db2.gz ANCPALQOQIEIRY-OAHLLOKOSA-N 1 2 365.430 -0.836 50 0 FBAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NC(CO)CO)cc1C ZINC000072166401 483728819 /nfs/dbraw/zinc/72/88/19/483728819.db2.gz ANCPALQOQIEIRY-OAHLLOKOSA-N 1 2 365.430 -0.836 50 0 FBAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCCc2n[nH]c(=O)[nH]2)cc1 ZINC000072167467 483729060 /nfs/dbraw/zinc/72/90/60/483729060.db2.gz WLANGICHHWNFBD-AWEZNQCLSA-N 1 2 372.429 -0.544 50 0 FBAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCCc2n[nH]c(=O)[nH]2)cc1 ZINC000072167467 483729058 /nfs/dbraw/zinc/72/90/58/483729058.db2.gz WLANGICHHWNFBD-AWEZNQCLSA-N 1 2 372.429 -0.544 50 0 FBAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCCc2n[nH]c(=O)[nH]2)cc1 ZINC000072167468 483728710 /nfs/dbraw/zinc/72/87/10/483728710.db2.gz WLANGICHHWNFBD-CQSZACIVSA-N 1 2 372.429 -0.544 50 0 FBAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCCc2n[nH]c(=O)[nH]2)cc1 ZINC000072167468 483728706 /nfs/dbraw/zinc/72/87/06/483728706.db2.gz WLANGICHHWNFBD-CQSZACIVSA-N 1 2 372.429 -0.544 50 0 FBAALO CCC(CO)(CO)NC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C ZINC000072169418 483729157 /nfs/dbraw/zinc/72/91/57/483729157.db2.gz VMGSUZGETYGANS-MRXNPFEDSA-N 1 2 363.458 -0.065 50 0 FBAALO CCC(CO)(CO)NC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1C ZINC000072169418 483729155 /nfs/dbraw/zinc/72/91/55/483729155.db2.gz VMGSUZGETYGANS-MRXNPFEDSA-N 1 2 363.458 -0.065 50 0 FBAALO CCC(CO)(CO)NC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C ZINC000072169419 483728999 /nfs/dbraw/zinc/72/89/99/483728999.db2.gz VMGSUZGETYGANS-INIZCTEOSA-N 1 2 363.458 -0.065 50 0 FBAALO CCC(CO)(CO)NC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1C ZINC000072169419 483728995 /nfs/dbraw/zinc/72/89/95/483728995.db2.gz VMGSUZGETYGANS-INIZCTEOSA-N 1 2 363.458 -0.065 50 0 FBAALO COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCNC(=O)CC2)c1 ZINC000072169431 483729139 /nfs/dbraw/zinc/72/91/39/483729139.db2.gz QRRRSWOCZFCSFI-INIZCTEOSA-N 1 2 374.441 -0.266 50 0 FBAALO COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCNC(=O)CC2)c1 ZINC000072169431 483729137 /nfs/dbraw/zinc/72/91/37/483729137.db2.gz QRRRSWOCZFCSFI-INIZCTEOSA-N 1 2 374.441 -0.266 50 0 FBAALO COc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N2CCNC(=O)CC2)c1 ZINC000072169432 483728625 /nfs/dbraw/zinc/72/86/25/483728625.db2.gz QRRRSWOCZFCSFI-MRXNPFEDSA-N 1 2 374.441 -0.266 50 0 FBAALO COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N2CCNC(=O)CC2)c1 ZINC000072169432 483728622 /nfs/dbraw/zinc/72/86/22/483728622.db2.gz QRRRSWOCZFCSFI-MRXNPFEDSA-N 1 2 374.441 -0.266 50 0 FBAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)NCCc1n[nH]c(=O)[nH]1 ZINC000072172385 483728875 /nfs/dbraw/zinc/72/88/75/483728875.db2.gz OVRSPTUUGRNBJJ-AWEZNQCLSA-N 1 2 372.429 -0.810 50 0 FBAALO O=C(C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1)NCCc1n[nH]c(=O)[nH]1 ZINC000072172385 483728873 /nfs/dbraw/zinc/72/88/73/483728873.db2.gz OVRSPTUUGRNBJJ-AWEZNQCLSA-N 1 2 372.429 -0.810 50 0 FBAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)NCCc1n[nH]c(=O)[nH]1 ZINC000072172386 483728656 /nfs/dbraw/zinc/72/86/56/483728656.db2.gz OVRSPTUUGRNBJJ-CQSZACIVSA-N 1 2 372.429 -0.810 50 0 FBAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1)NCCc1n[nH]c(=O)[nH]1 ZINC000072172386 483728654 /nfs/dbraw/zinc/72/86/54/483728654.db2.gz OVRSPTUUGRNBJJ-CQSZACIVSA-N 1 2 372.429 -0.810 50 0 FBAALO COc1cc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N(C)CCO)cc(OC)c1 ZINC000072173718 483729162 /nfs/dbraw/zinc/72/91/62/483729162.db2.gz UHLBNKPEHXOQOV-MRXNPFEDSA-N 1 2 365.430 -0.155 50 0 FBAALO COc1cc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N(C)CCO)cc(OC)c1 ZINC000072173718 483729160 /nfs/dbraw/zinc/72/91/60/483729160.db2.gz UHLBNKPEHXOQOV-MRXNPFEDSA-N 1 2 365.430 -0.155 50 0 FBAALO COc1cc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)CCO)cc(OC)c1 ZINC000072173719 483728813 /nfs/dbraw/zinc/72/88/13/483728813.db2.gz UHLBNKPEHXOQOV-INIZCTEOSA-N 1 2 365.430 -0.155 50 0 FBAALO COc1cc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)CCO)cc(OC)c1 ZINC000072173719 483728809 /nfs/dbraw/zinc/72/88/09/483728809.db2.gz UHLBNKPEHXOQOV-INIZCTEOSA-N 1 2 365.430 -0.155 50 0 FBAALO Cc1[nH+]c[nH]c1CN1CCN(Cc2nccn2C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072407096 571190979 /nfs/dbraw/zinc/19/09/79/571190979.db2.gz 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Cc1nnc2n1CC[N@@H+]([C@H]1CN(C(=O)C(=O)c3ccco3)C[C@@H]1O)CC2 ZINC000072411141 571192031 /nfs/dbraw/zinc/19/20/31/571192031.db2.gz LKSYVOHRQJPCCJ-STQMWFEESA-N 1 2 359.386 -0.508 50 0 FBAALO Cc1nnc2n1CC[N@H+]([C@H]1CN(C(=O)C(=O)c3ccco3)C[C@@H]1O)CC2 ZINC000072411141 571192029 /nfs/dbraw/zinc/19/20/29/571192029.db2.gz LKSYVOHRQJPCCJ-STQMWFEESA-N 1 2 359.386 -0.508 50 0 FBAALO CC(C)C[N@H+]1CCN(C(=O)c2ccc(=O)[nH]c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072411215 483729793 /nfs/dbraw/zinc/72/97/93/483729793.db2.gz KCWGIWIACMSHDQ-KGLIPLIRSA-N 1 2 353.444 -0.046 50 0 FBAALO CC(C)C[N@@H+]1CCN(C(=O)c2ccc(=O)[nH]c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072411215 483729792 /nfs/dbraw/zinc/72/97/92/483729792.db2.gz KCWGIWIACMSHDQ-KGLIPLIRSA-N 1 2 353.444 -0.046 50 0 FBAALO C[NH+](C)CC(=O)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072423487 205539386 /nfs/dbraw/zinc/53/93/86/205539386.db2.gz YUGLDBLKBRMOPN-CABCVRRESA-N 1 2 352.460 -0.547 50 0 FBAALO Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000072424046 221513459 /nfs/dbraw/zinc/51/34/59/221513459.db2.gz IOPXVRNAXPEXBG-CYBMUJFWSA-N 1 2 359.438 -0.196 50 0 FBAALO Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000072424049 483729627 /nfs/dbraw/zinc/72/96/27/483729627.db2.gz IOPXVRNAXPEXBG-ZDUSSCGKSA-N 1 2 359.438 -0.196 50 0 FBAALO Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCCN(C(=O)CCO)C1 ZINC000072424239 483729877 /nfs/dbraw/zinc/72/98/77/483729877.db2.gz MTZYTQVTNKNTQM-CYBMUJFWSA-N 1 2 351.451 -0.140 50 0 FBAALO Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCCN(C(=O)CCO)C1 ZINC000072424240 483729712 /nfs/dbraw/zinc/72/97/12/483729712.db2.gz MTZYTQVTNKNTQM-ZDUSSCGKSA-N 1 2 351.451 -0.140 50 0 FBAALO CN(Cc1[nH+]ccn1C)[C@H]1CN(C(=O)Cn2nc3ccccc3n2)C[C@@H]1O ZINC000072424734 571194303 /nfs/dbraw/zinc/19/43/03/571194303.db2.gz UQUAXGFSYGIPSV-HOTGVXAUSA-N 1 2 369.429 -0.132 50 0 FBAALO C[NH+]1CCN(C(=O)[C@@H]2CN(c3nnnn3-c3ccccc3)CCO2)CC1 ZINC000072426141 208857246 /nfs/dbraw/zinc/85/72/46/208857246.db2.gz CRCBBHTXZANSQM-HNNXBMFYSA-N 1 2 357.418 -0.359 50 0 FBAALO C[NH+]1CCN(C(=O)[C@H]2CN(c3nnnn3-c3ccccc3)CCO2)CC1 ZINC000072426142 571194432 /nfs/dbraw/zinc/19/44/32/571194432.db2.gz CRCBBHTXZANSQM-OAHLLOKOSA-N 1 2 357.418 -0.359 50 0 FBAALO Nc1nc(N2CC[C@H](O)C2)c2c([nH+]1)CCN(C(=O)c1cnccn1)CC2 ZINC000072429576 571195199 /nfs/dbraw/zinc/19/51/99/571195199.db2.gz PBDHJHJEDOCPLV-NSHDSACASA-N 1 2 355.402 -0.339 50 0 FBAALO CNC(=O)CNc1nc(N)[nH+]c2c1CCN(C(=O)c1ccn(C)n1)CC2 ZINC000072430085 571195389 /nfs/dbraw/zinc/19/53/89/571195389.db2.gz QTCGSSOKABMDFR-UHFFFAOYSA-N 1 2 358.406 -0.809 50 0 FBAALO Nc1nnnn1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 ZINC000072438110 483730096 /nfs/dbraw/zinc/73/00/96/483730096.db2.gz RLGNJSUXWHSQTF-WCQYABFASA-N 1 2 373.421 -0.939 50 0 FBAALO Nc1nnnn1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072438110 483730092 /nfs/dbraw/zinc/73/00/92/483730092.db2.gz RLGNJSUXWHSQTF-WCQYABFASA-N 1 2 373.421 -0.939 50 0 FBAALO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)Cc3n[nH]c(=O)[nH]3)C2)CCC1=O ZINC000072438675 483730492 /nfs/dbraw/zinc/73/04/92/483730492.db2.gz PMNMSLULKXYCJS-KRWDZBQOSA-N 1 2 364.450 -0.567 50 0 FBAALO C[NH+](C)CCN1C[C@]2(CCCN(C(=O)Cc3n[nH]c(=O)[nH]3)C2)CCC1=O ZINC000072438677 483730626 /nfs/dbraw/zinc/73/06/26/483730626.db2.gz PMNMSLULKXYCJS-QGZVFWFLSA-N 1 2 364.450 -0.567 50 0 FBAALO Cc1ncc(C(=O)N2CC[N@H+](CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(=O)[nH]1 ZINC000072447713 483730517 /nfs/dbraw/zinc/73/05/17/483730517.db2.gz OXSOPEOBIIHKIT-KGLIPLIRSA-N 1 2 368.459 -0.342 50 0 FBAALO Cc1ncc(C(=O)N2CC[N@@H+](CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(=O)[nH]1 ZINC000072447713 483730516 /nfs/dbraw/zinc/73/05/16/483730516.db2.gz OXSOPEOBIIHKIT-KGLIPLIRSA-N 1 2 368.459 -0.342 50 0 FBAALO O=C(Cn1cc[nH+]c1)N1CCC[C@](O)(CNC(=O)N2CCOCC2)CC1 ZINC000072457689 483730181 /nfs/dbraw/zinc/73/01/81/483730181.db2.gz UJENQSDKQVZGJY-QGZVFWFLSA-N 1 2 365.434 -0.332 50 0 FBAALO O=C(Cn1cc[nH+]c1)N1CCC[C@@](O)(CNC(=O)N2CCOCC2)CC1 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-0.522 50 0 FBAALO O=C(Cn1cnnn1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072478006 483730349 /nfs/dbraw/zinc/73/03/49/483730349.db2.gz QHFMZBFKTZVROF-GXTWGEPZSA-N 1 2 358.406 -0.522 50 0 FBAALO CN1C(=O)[C@H]2CC[C@@H]1CN(c1cncc(C(=O)N3CC[NH+](C)CC3)n1)C2 ZINC000072478261 483730593 /nfs/dbraw/zinc/73/05/93/483730593.db2.gz XWNOZPLCDIWREF-UONOGXRCSA-N 1 2 358.446 -0.079 50 0 FBAALO Cc1[nH+]c[nH]c1CN1CCN(C(=O)COC(C)C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072478636 483730555 /nfs/dbraw/zinc/73/05/55/483730555.db2.gz GKPPAIQFLOBXQL-CABCVRRESA-N 1 2 370.475 -0.047 50 0 FBAALO Cc1nnc(SCC(=O)N2CCO[C@H](C(=O)N3CC[NH+](C)CC3)C2)o1 ZINC000072480829 483730821 /nfs/dbraw/zinc/73/08/21/483730821.db2.gz XHMKXPKBOUSQMD-LBPRGKRZSA-N 1 2 369.447 -0.528 50 0 FBAALO Cc1nnc(SCC(=O)N2CCO[C@@H](C(=O)N3CC[NH+](C)CC3)C2)o1 ZINC000072480830 483730891 /nfs/dbraw/zinc/73/08/91/483730891.db2.gz XHMKXPKBOUSQMD-GFCCVEGCSA-N 1 2 369.447 -0.528 50 0 FBAALO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(CC(=O)NC(=O)NC2CC2)CC1 ZINC000075109796 483904849 /nfs/dbraw/zinc/90/48/49/483904849.db2.gz XNUHQLNLRLDRLX-AWEZNQCLSA-N 1 2 365.478 -0.007 50 0 FBAALO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(CC(=O)NC(=O)NC2CC2)CC1 ZINC000075109798 483905138 /nfs/dbraw/zinc/90/51/38/483905138.db2.gz XNUHQLNLRLDRLX-CQSZACIVSA-N 1 2 365.478 -0.007 50 0 FBAALO CC(C)(C)OC(=O)NCC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000075612322 484930934 /nfs/dbraw/zinc/93/09/34/484930934.db2.gz SLQKRBDHODTTQH-UHFFFAOYSA-N 1 2 356.467 -0.013 50 0 FBAALO C[C@H](O)C(=O)N1CCc2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C1 ZINC000077286838 483744115 /nfs/dbraw/zinc/74/41/15/483744115.db2.gz RSXIBNJNPPSVEX-ZDUSSCGKSA-N 1 2 367.471 -0.112 50 0 FBAALO C[C@@H](O)C(=O)N1CCc2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C1 ZINC000077286840 483744053 /nfs/dbraw/zinc/74/40/53/483744053.db2.gz RSXIBNJNPPSVEX-CYBMUJFWSA-N 1 2 367.471 -0.112 50 0 FBAALO Cn1c(C[NH+](C)C)nnc1C1CCN(C(=O)CCc2nc(N)n[nH]2)CC1 ZINC000077287424 483744249 /nfs/dbraw/zinc/74/42/49/483744249.db2.gz NQXGJVVDVPGGJS-UHFFFAOYSA-N 1 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