smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(C2(CNS(=O)(=O)C3CC3)CCCC2)CC1 ZINC000823789482 758275053 /nfs/dbraw/zinc/27/50/53/758275053.db2.gz WMZHEAYEWUSLEJ-UHFFFAOYSA-N 1 0 301.456 0.628 50 0 DCAARO O=C(NCCN1CCOCC1)C1CC[NH+](Cc2ccco2)CC1 ZINC000827758319 758877135 /nfs/dbraw/zinc/87/71/35/758877135.db2.gz ROJMERRUWOSSTM-UHFFFAOYSA-N 1 0 321.421 0.940 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)c1[nH]nc2c1COCC2 ZINC000828211775 758953919 /nfs/dbraw/zinc/95/39/19/758953919.db2.gz SEQWRIBHWPFWOA-UHFFFAOYSA-N 1 0 301.350 0.450 50 0 DCAARO O=S(=O)(N1CCCC1)N1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000828388622 759002840 /nfs/dbraw/zinc/00/28/40/759002840.db2.gz OGGAQSRUTOQPOO-CQSZACIVSA-N 1 0 317.455 0.371 50 0 DCAARO Cc1cc(C)c(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c(=O)[nH]1 ZINC000828710986 759074914 /nfs/dbraw/zinc/07/49/14/759074914.db2.gz USAAJXSRCZYEAC-ZDUSSCGKSA-N 1 0 307.394 0.981 50 0 DCAARO Cn1c(CO)nnc1C1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000828839072 759112381 /nfs/dbraw/zinc/11/23/81/759112381.db2.gz CZIQIOFNFQYCGI-UHFFFAOYSA-N 1 0 308.411 0.726 50 0 DCAARO CS(=O)(=O)CC[N@@H+]1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 ZINC000219584334 766272652 /nfs/dbraw/zinc/27/26/52/766272652.db2.gz ZZJSYCFSQPPGTD-ZDUSSCGKSA-N 1 0 310.419 0.695 50 0 DCAARO O[C@@H]1C[N@H+](Cc2cnn3cccnc23)C[C@H]1Cc1cnccn1 ZINC001529178109 1014512914 /nfs/dbraw/zinc/51/29/14/1014512914.db2.gz IVTCQLUEUXVINY-IUODEOHRSA-N 1 0 310.361 0.555 50 0 DCAARO Cc1cc(S(=O)(=O)NC[C@]2(O)CC[NH2+]C2)c(Cl)cc1F ZINC001506398372 1017253966 /nfs/dbraw/zinc/25/39/66/1017253966.db2.gz LROSSJDZKVZPRX-LBPRGKRZSA-N 1 0 322.789 0.790 50 0 DCAARO Cn1nccc1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000078998796 185144270 /nfs/dbraw/zinc/14/42/70/185144270.db2.gz XYTAZCHSVGYWKF-UHFFFAOYSA-N 1 0 314.393 0.497 50 0 DCAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CN2CCOC2=O)CC1 ZINC000082107989 192356931 /nfs/dbraw/zinc/35/69/31/192356931.db2.gz NJDJSHMSFDXWQK-UHFFFAOYSA-N 1 0 318.377 0.881 50 0 DCAARO CN(CCOc1ccccc1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000095448440 185368264 /nfs/dbraw/zinc/36/82/64/185368264.db2.gz JOFPTBKLROHRFD-MRXNPFEDSA-N 1 0 303.406 0.914 50 0 DCAARO CCn1c(CC2CC[NH+](Cc3cnn(C)c3)CC2)n[nH]c1=O ZINC000071711964 191010887 /nfs/dbraw/zinc/01/08/87/191010887.db2.gz WCAXFVQYARVQFW-UHFFFAOYSA-N 1 0 304.398 0.780 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000071712049 191011424 /nfs/dbraw/zinc/01/14/24/191011424.db2.gz BPOGWOCTBDRBRL-ZDUSSCGKSA-N 1 0 305.426 0.832 50 0 DCAARO Cc1ncc(CC(=O)N2CCC3(CC[NH2+]CC3)CC2)c(=O)[nH]1 ZINC000071749380 191022630 /nfs/dbraw/zinc/02/26/30/191022630.db2.gz FLBZDTLVFDCFQY-UHFFFAOYSA-N 1 0 304.394 0.613 50 0 DCAARO COCCC[N@@H+]1CC[C@H](Cn2cnc3cn(C)nc3c2=O)C1 ZINC000072158062 191061070 /nfs/dbraw/zinc/06/10/70/191061070.db2.gz CWIRXWXRIZWRFC-LBPRGKRZSA-N 1 0 305.382 0.488 50 0 DCAARO CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OCC)cc1 ZINC000072167764 191066523 /nfs/dbraw/zinc/06/65/23/191066523.db2.gz YUNUMVCGQJIHOV-OAHLLOKOSA-N 1 0 319.405 0.912 50 0 DCAARO O=C(NC[C@@]1(O)CC[NH2+]C1)c1cnc(Nc2ccccc2)nc1 ZINC000072173840 191069887 /nfs/dbraw/zinc/06/98/87/191069887.db2.gz OSSJUNLPHFLCAY-MRXNPFEDSA-N 1 0 313.361 0.674 50 0 DCAARO COc1cccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)C2)c1 ZINC000237455246 186292323 /nfs/dbraw/zinc/29/23/23/186292323.db2.gz JMMSHDJEQYRWLG-BJJXKVORSA-N 1 0 319.405 0.503 50 0 DCAARO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000237506180 186299128 /nfs/dbraw/zinc/29/91/28/186299128.db2.gz CDKVATVZBWMIKP-PWSUYJOCSA-N 1 0 323.418 0.473 50 0 DCAARO O=c1[nH]c(CC2CC2)nc2c1CCN(C[C@]1(O)CCC[NH2+]C1)C2 ZINC000072475048 191177235 /nfs/dbraw/zinc/17/72/35/191177235.db2.gz VZXQWSBXNGPUMY-KRWDZBQOSA-N 1 0 318.421 0.195 50 0 DCAARO Cc1cc(N2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)cc(C)[nH+]1 ZINC000077388300 191707374 /nfs/dbraw/zinc/70/73/74/191707374.db2.gz AMKCFKFJDUXEFX-CQSZACIVSA-N 1 0 317.393 0.371 50 0 DCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1cc2c([nH]c1=O)CCC2 ZINC000299784551 295910736 /nfs/dbraw/zinc/91/07/36/295910736.db2.gz XWJYXGBKLKYSME-GJZGRUSLSA-N 1 0 317.389 0.869 50 0 DCAARO COCC[NH2+]CC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000237150527 202166894 /nfs/dbraw/zinc/16/68/94/202166894.db2.gz QCDOSVCVIOMDSG-ZNMIVQPWSA-N 1 0 313.442 0.323 50 0 DCAARO CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000237153937 202168853 /nfs/dbraw/zinc/16/88/53/202168853.db2.gz UYUODYHWZOZVHG-CABCVRRESA-N 1 0 301.390 0.686 50 0 DCAARO CN(C)c1nccc(N2CCN(C(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)n1 ZINC000237170851 202175735 /nfs/dbraw/zinc/17/57/35/202175735.db2.gz MRBUZFCGQUAISU-STQMWFEESA-N 1 0 318.425 0.319 50 0 DCAARO NC(=O)CN1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000095460384 283288128 /nfs/dbraw/zinc/28/81/28/283288128.db2.gz NPPYAUDXRWWYCI-YRGRVCCFSA-N 1 0 315.508 0.905 50 0 DCAARO O=C(NCCOc1ncc(Cl)cc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000237791453 202356186 /nfs/dbraw/zinc/35/61/86/202356186.db2.gz OEGIUVARLJUTJR-JTQLQIEISA-N 1 0 320.176 0.872 50 0 DCAARO CCCCNC(=O)c1ccc(C(=O)N[n+]2cnn(C)c2)cc1 ZINC000006273145 181325243 /nfs/dbraw/zinc/32/52/43/181325243.db2.gz PSBBNBRPVHJYCG-UHFFFAOYSA-O 1 0 302.358 0.621 50 0 DCAARO CC[NH+](CC)CCNC(=O)Cn1nc(C)n2cccc2c1=O ZINC000006799554 181390612 /nfs/dbraw/zinc/39/06/12/181390612.db2.gz APYVVKHRKJBOSR-UHFFFAOYSA-N 1 0 305.382 0.262 50 0 DCAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3nc(C)no3)C2)C1=O ZINC000091737574 193099298 /nfs/dbraw/zinc/09/92/98/193099298.db2.gz ZRVSLPCKVWWGQF-HNNXBMFYSA-N 1 0 308.382 0.839 50 0 DCAARO NC(=O)[C@H]1CCC[N@H+](CCNc2nc(N)nc3c2CCCC3)C1 ZINC000091818932 193112303 /nfs/dbraw/zinc/11/23/03/193112303.db2.gz CMYHIBSRUFNOMG-NSHDSACASA-N 1 0 318.425 0.547 50 0 DCAARO Cn1cc(CC[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)cn1 ZINC000091943273 193130224 /nfs/dbraw/zinc/13/02/24/193130224.db2.gz SRAGCUYVEVVELS-UHFFFAOYSA-N 1 0 320.437 0.660 50 0 DCAARO COc1ccccc1OCCCN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000216120200 201479812 /nfs/dbraw/zinc/47/98/12/201479812.db2.gz FDNFYHQUCIZOEN-HNNXBMFYSA-N 1 0 308.378 0.911 50 0 DCAARO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000017306055 182082399 /nfs/dbraw/zinc/08/23/99/182082399.db2.gz NHGHYWIQDBBMTI-LLVKDONJSA-N 1 0 316.365 0.716 50 0 DCAARO COc1cccc(N2C[C@H](C(=O)N3CC[NH2+]CC3)CC2=O)c1 ZINC000020745722 182245919 /nfs/dbraw/zinc/24/59/19/182245919.db2.gz FUUHGRQISVZCTI-GFCCVEGCSA-N 1 0 303.362 0.480 50 0 DCAARO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)CN1CCOCC1 ZINC000024840017 182392837 /nfs/dbraw/zinc/39/28/37/182392837.db2.gz QNWZTEXBSMTIEL-CQSZACIVSA-N 1 0 308.378 0.540 50 0 DCAARO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCC(C)(C)[NH+](C)C ZINC000040553417 183100216 /nfs/dbraw/zinc/10/02/16/183100216.db2.gz WUFKGWPXQXFQCC-UHFFFAOYSA-N 1 0 317.411 0.614 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC000044604530 183427142 /nfs/dbraw/zinc/42/71/42/183427142.db2.gz NRQGTHJUJFSLSH-CQSZACIVSA-N 1 0 307.394 0.472 50 0 DCAARO CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000044893762 183450003 /nfs/dbraw/zinc/45/00/03/183450003.db2.gz AHSDECBLPYFJNW-CYBMUJFWSA-N 1 0 317.455 0.403 50 0 DCAARO CC[C@H]1CN([C@H](C)C(=O)Nc2ncccn2)CC[N@@H+]1CCOC ZINC000106777152 194251625 /nfs/dbraw/zinc/25/16/25/194251625.db2.gz HQAZVIGLUDLENK-KGLIPLIRSA-N 1 0 321.425 0.846 50 0 DCAARO CN(CCNC(=O)CC[NH+]1CCCCCCC1)S(C)(=O)=O ZINC000055344183 183982040 /nfs/dbraw/zinc/98/20/40/183982040.db2.gz GGPLEUUSVSWKNS-UHFFFAOYSA-N 1 0 319.471 0.650 50 0 DCAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)c1cc2ccccn2n1 ZINC000065381767 184331971 /nfs/dbraw/zinc/33/19/71/184331971.db2.gz LKBGVIBKVOPTHS-OCCSQVGLSA-N 1 0 316.361 0.652 50 0 DCAARO CCOc1ccccc1-n1c(CN2CC[NH+](C)CC2)n[nH]c1=O ZINC000065426017 184342866 /nfs/dbraw/zinc/34/28/66/184342866.db2.gz NDITWDGJJAWBBR-UHFFFAOYSA-N 1 0 317.393 0.707 50 0 DCAARO O=C(NCCCn1cncn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000065437091 184345553 /nfs/dbraw/zinc/34/55/53/184345553.db2.gz VRHRTWBVUWCSHO-CQSZACIVSA-N 1 0 306.414 0.938 50 0 DCAARO O=c1oc2ccccc2n1CC[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000065460976 184349132 /nfs/dbraw/zinc/34/91/32/184349132.db2.gz MCAZOVRJCONUSN-NEPJUHHUSA-N 1 0 301.346 0.947 50 0 DCAARO C[NH+](C)[C@H](CNC(=O)Cn1cccnc1=O)c1cccs1 ZINC000065592684 184370385 /nfs/dbraw/zinc/37/03/85/184370385.db2.gz HGRXWDRIUIHXPZ-LLVKDONJSA-N 1 0 306.391 0.724 50 0 DCAARO Cc1nc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)cn1C ZINC000065504073 184356320 /nfs/dbraw/zinc/35/63/20/184356320.db2.gz QTEZAPBYBHKIHB-UHFFFAOYSA-N 1 0 312.439 0.835 50 0 DCAARO COCC[N@@H+]1CCC[C@H](Cn2cnc3cn(C)nc3c2=O)C1 ZINC000072154609 285031227 /nfs/dbraw/zinc/03/12/27/285031227.db2.gz NVCCXXRYTIUNGF-LBPRGKRZSA-N 1 0 305.382 0.488 50 0 DCAARO CN(C)S(=O)(=O)CCC[NH+]1CCC(CCC(N)=O)CC1 ZINC000347952208 254204447 /nfs/dbraw/zinc/20/44/47/254204447.db2.gz RKBOOQATFJLJGS-UHFFFAOYSA-N 1 0 305.444 0.245 50 0 DCAARO COc1cc(C)c([C@H](C)NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1OC ZINC000358801804 257236251 /nfs/dbraw/zinc/23/62/51/257236251.db2.gz NTDUIFOYAFQSPZ-GVXVVHGQSA-N 1 0 308.378 0.912 50 0 DCAARO O=C(NCCn1cccn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000114972249 257242470 /nfs/dbraw/zinc/24/24/70/257242470.db2.gz BXQIMMJNJBPIQC-UHFFFAOYSA-N 1 0 300.366 0.810 50 0 DCAARO COc1ccc(CCNC(=O)NC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000426674008 257244610 /nfs/dbraw/zinc/24/46/10/257244610.db2.gz HWZSCBKQHZIWTL-HNNXBMFYSA-N 1 0 321.421 0.994 50 0 DCAARO Cn1cnnc1SCCNC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000426571819 257246003 /nfs/dbraw/zinc/24/60/03/257246003.db2.gz RSVXOOFTTYWHMI-NWDGAFQWSA-N 1 0 324.454 0.785 50 0 DCAARO C[NH2+]Cc1nnc(SCc2nnc(C)[nH]2)n1C[C@H]1CCCO1 ZINC000426535884 257246784 /nfs/dbraw/zinc/24/67/84/257246784.db2.gz NPFZDNVQYRGVQU-SNVBAGLBSA-N 1 0 323.426 0.895 50 0 DCAARO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)NCc1nnn[n-]1 ZINC000426538389 257246925 /nfs/dbraw/zinc/24/69/25/257246925.db2.gz LPRFVCLLEMUWOI-LBPRGKRZSA-N 1 0 301.354 0.056 50 0 DCAARO CNC(=O)[C@@H]1CCCCN1C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426434455 257250148 /nfs/dbraw/zinc/25/01/48/257250148.db2.gz LIGHUVKKTRRIBW-HNNXBMFYSA-N 1 0 319.405 0.694 50 0 DCAARO CN(C[C@H]1COCCO1)C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426441909 257250574 /nfs/dbraw/zinc/25/05/74/257250574.db2.gz NMCWOLDLGREOSA-HNNXBMFYSA-N 1 0 308.378 0.440 50 0 DCAARO COc1cccc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)C2)c1 ZINC000276624379 533576835 /nfs/dbraw/zinc/57/68/35/533576835.db2.gz JMMSHDJEQYRWLG-JGGQBBKZSA-N 1 0 319.405 0.503 50 0 DCAARO Cc1cc(NC(=O)CCN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)no1 ZINC000284887113 131119715 /nfs/dbraw/zinc/11/97/15/131119715.db2.gz QYQIXKHMOVNMBK-QWHCGFSZSA-N 1 0 308.382 0.717 50 0 DCAARO CC[N@H+](CCC(=O)NC(=O)NC)C[C@H]1COc2ccccc2O1 ZINC000012972105 395688253 /nfs/dbraw/zinc/68/82/53/395688253.db2.gz MLWCLDBFASYRMW-LBPRGKRZSA-N 1 0 321.377 0.994 50 0 DCAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cn(C)nc1C)CC2 ZINC000014748539 395689570 /nfs/dbraw/zinc/68/95/70/395689570.db2.gz WUYRBFRXSDBBQP-UHFFFAOYSA-N 1 0 319.409 0.977 50 0 DCAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CC ZINC000014733171 395689641 /nfs/dbraw/zinc/68/96/41/395689641.db2.gz QNIHKFIWOUVPJQ-NSHDSACASA-N 1 0 310.398 0.389 50 0 DCAARO [NH3+]CC1CCN(c2cnn(C[C@@H]3CCCCO3)c(=O)c2)CC1 ZINC000020207250 395691242 /nfs/dbraw/zinc/69/12/42/395691242.db2.gz DSZXCXWAUNITFQ-HNNXBMFYSA-N 1 0 306.410 0.988 50 0 DCAARO C[NH+]1CCN(c2ccc(NC(=O)c3nccnc3N)cn2)CC1 ZINC000022324590 395691735 /nfs/dbraw/zinc/69/17/35/395691735.db2.gz DORFBMWNDDKTFH-UHFFFAOYSA-N 1 0 313.365 0.458 50 0 DCAARO C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1 ZINC000085472799 395701453 /nfs/dbraw/zinc/70/14/53/395701453.db2.gz NRIBBZNUMCXONC-GFCCVEGCSA-N 1 0 309.410 0.224 50 0 DCAARO CN(C[C@@H](O)CN1CC[NH+](C)CC1)C(=O)CC1=CCCCC1 ZINC000089382640 395710438 /nfs/dbraw/zinc/71/04/38/395710438.db2.gz KEAIFESUPWMBPB-MRXNPFEDSA-N 1 0 309.454 0.944 50 0 DCAARO COc1cccc2c(=O)n(CCN3CC[NH+](C)CC3)cnc12 ZINC000032576746 395711494 /nfs/dbraw/zinc/71/14/94/395711494.db2.gz YNGXMXLJMAYMDI-UHFFFAOYSA-N 1 0 302.378 0.653 50 0 DCAARO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC000089718319 395714428 /nfs/dbraw/zinc/71/44/28/395714428.db2.gz FCNBQMQJUFOJBZ-CYBMUJFWSA-N 1 0 319.369 0.093 50 0 DCAARO COc1cccc(OCCNC(=O)CN2CC[N@H+](C)C[C@H]2C)c1 ZINC000089939029 395716994 /nfs/dbraw/zinc/71/69/94/395716994.db2.gz SOBSLUJGUHZZBX-CQSZACIVSA-N 1 0 321.421 0.826 50 0 DCAARO CCS(=O)(=O)N1CCC([NH2+]Cc2c(C)n[nH]c2C)CC1 ZINC000036864790 395724577 /nfs/dbraw/zinc/72/45/77/395724577.db2.gz QLEOYOOJGMQAAU-UHFFFAOYSA-N 1 0 300.428 0.930 50 0 DCAARO C[NH+](C)CCNC(=O)c1cnc2sc3c(n2c1=O)CCC3 ZINC000035430284 395720928 /nfs/dbraw/zinc/72/09/28/395720928.db2.gz KWQYXRAWWPWULD-UHFFFAOYSA-N 1 0 306.391 0.536 50 0 DCAARO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC000095402313 395740585 /nfs/dbraw/zinc/74/05/85/395740585.db2.gz YSOVKLSZSDBBQA-ZDUSSCGKSA-N 1 0 317.397 0.745 50 0 DCAARO Cc1n[nH]cc1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000097159531 395755317 /nfs/dbraw/zinc/75/53/17/395755317.db2.gz QKZFNUUFARHMLN-UHFFFAOYSA-N 1 0 315.425 0.810 50 0 DCAARO CN1CCN([C@@H]2CC[N@H+](Cc3ccc(OCCO)cc3)C2)CC1 ZINC000097259186 395756392 /nfs/dbraw/zinc/75/63/92/395756392.db2.gz IWAMGDNVKCJOJS-QGZVFWFLSA-N 1 0 319.449 0.879 50 0 DCAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@H]1COc2ccccc2C1 ZINC000097515042 395758593 /nfs/dbraw/zinc/75/85/93/395758593.db2.gz NIRDSVUCKKGJOE-CYBMUJFWSA-N 1 0 312.373 0.854 50 0 DCAARO CC(C)(C)c1cc(CN2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)[nH]n1 ZINC000097578689 395759187 /nfs/dbraw/zinc/75/91/87/395759187.db2.gz FRBJTNVWDRMYIO-GJZGRUSLSA-N 1 0 322.453 0.975 50 0 DCAARO O=C(c1cccc(F)c1)N1CCC([NH2+][C@@H]2CC(=O)NC2=O)CC1 ZINC000100196348 395762845 /nfs/dbraw/zinc/76/28/45/395762845.db2.gz MWDAPWSUFRBMCK-CYBMUJFWSA-N 1 0 319.336 0.435 50 0 DCAARO CN1C[C@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1=O ZINC000048483397 395816449 /nfs/dbraw/zinc/81/64/49/395816449.db2.gz BIIPTWKEPNSSBM-CQSZACIVSA-N 1 0 309.410 0.036 50 0 DCAARO Nc1nc(NCc2nnc3n2CCC3)cc(C2CC([NH3+])C2)n1 ZINC000219119974 395844814 /nfs/dbraw/zinc/84/48/14/395844814.db2.gz BEMVSNZRGYTVES-UHFFFAOYSA-N 1 0 300.370 0.413 50 0 DCAARO C[NH+]1CCC(C(=O)N[C@@H]2CCOC[C@H]2O)(c2ccccc2)CC1 ZINC000220131527 395848045 /nfs/dbraw/zinc/84/80/45/395848045.db2.gz AEOWLEFAUOCAHB-HZPDHXFCSA-N 1 0 318.417 0.916 50 0 DCAARO CC(C)C[N@@H+]1CCN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1CCO ZINC000222867645 395853487 /nfs/dbraw/zinc/85/34/87/395853487.db2.gz VIPRLCZDHDWQIA-ZDUSSCGKSA-N 1 0 307.394 0.540 50 0 DCAARO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C(=O)N1c1ccccc1 ZINC000237590459 395915751 /nfs/dbraw/zinc/91/57/51/395915751.db2.gz MXLNWUSGAIZWBY-ZZVYKPCYSA-N 1 0 303.362 0.019 50 0 DCAARO C[C@@H]1CCCN(C(=O)C[NH+]2CCC(c3nc(=N)n(C)[nH]3)CC2)C1 ZINC000225519442 395861557 /nfs/dbraw/zinc/86/15/57/395861557.db2.gz OFJBSEPWAVFBHE-GFCCVEGCSA-N 1 0 320.441 0.666 50 0 DCAARO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cccc3cnccc32)CCO1 ZINC000225495263 395861647 /nfs/dbraw/zinc/86/16/47/395861647.db2.gz MPYSKNFSJOOQSX-RISCZKNCSA-N 1 0 321.402 0.972 50 0 DCAARO COCCOc1cccc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)c1 ZINC000225567148 395862341 /nfs/dbraw/zinc/86/23/41/395862341.db2.gz WTXVCYCRZCTPJM-ZDUSSCGKSA-N 1 0 307.350 0.432 50 0 DCAARO COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1 ZINC000137524538 395950729 /nfs/dbraw/zinc/95/07/29/395950729.db2.gz IMMLVCSHAFEAAS-LLVKDONJSA-N 1 0 312.391 0.447 50 0 DCAARO CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@H]([NH2+]C)C2)c1 ZINC000151039747 395977312 /nfs/dbraw/zinc/97/73/12/395977312.db2.gz QGQVUEZCRWMZNN-GJBLVYBDSA-N 1 0 302.378 0.665 50 0 DCAARO COC[C@@H]1C[N@H+](Cc2cnn(C)c2C)C[C@H]1C(=O)NC1CC1 ZINC000253414374 396028178 /nfs/dbraw/zinc/02/81/78/396028178.db2.gz XGRISNFGTQKINO-DZGCQCFKSA-N 1 0 306.410 0.702 50 0 DCAARO Cc1cc(=O)n(CC[N@@H+](C)CCCc2nccn2C)c(=O)[nH]1 ZINC000253536367 396029678 /nfs/dbraw/zinc/02/96/78/396029678.db2.gz OXPHOTYZPYTLCK-UHFFFAOYSA-N 1 0 305.382 0.555 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCn1cnc2ccccc21 ZINC000067868961 396036825 /nfs/dbraw/zinc/03/68/25/396036825.db2.gz BPXPWMFYFWQIKR-RISCZKNCSA-N 1 0 315.377 0.101 50 0 DCAARO Cc1cc(C(=O)N2CCN(C(=O)CC3([NH3+])CCC3)CC2)on1 ZINC000152207524 396002858 /nfs/dbraw/zinc/00/28/58/396002858.db2.gz DANSYVGTSSNURU-UHFFFAOYSA-N 1 0 306.366 0.539 50 0 DCAARO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000069665557 396086444 /nfs/dbraw/zinc/08/64/44/396086444.db2.gz XKINAPNVCBZSFL-UONOGXRCSA-N 1 0 323.441 0.626 50 0 DCAARO CCOC(=O)c1cnn(CC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1N ZINC000069701387 396087652 /nfs/dbraw/zinc/08/76/52/396087652.db2.gz KHZBWLURTWUDAL-GFCCVEGCSA-N 1 0 323.397 0.195 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC000069706808 396087986 /nfs/dbraw/zinc/08/79/86/396087986.db2.gz KAAKBWSOZZLNGO-CYBMUJFWSA-N 1 0 320.397 0.159 50 0 DCAARO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)Cn2cc(C)cn2)CC1 ZINC000069814987 396090855 /nfs/dbraw/zinc/09/08/55/396090855.db2.gz QFUQHHSVHFJNSU-HUUCEWRRSA-N 1 0 307.442 0.722 50 0 DCAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC000069843162 396092244 /nfs/dbraw/zinc/09/22/44/396092244.db2.gz SAPATCDQEBCNPT-NEPJUHHUSA-N 1 0 303.428 0.011 50 0 DCAARO COCC[NH+]1CCN(Cc2cccc(OCC(N)=O)c2)CC1 ZINC000069841905 396092399 /nfs/dbraw/zinc/09/23/99/396092399.db2.gz OELYXVRCIWNQIF-UHFFFAOYSA-N 1 0 307.394 0.315 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000069895055 396093548 /nfs/dbraw/zinc/09/35/48/396093548.db2.gz FCAQUUAXCUOSSW-MCIONIFRSA-N 1 0 324.425 0.301 50 0 DCAARO Cc1nn(C)c(C)c1CCC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000069876357 396093611 /nfs/dbraw/zinc/09/36/11/396093611.db2.gz KNKDBBDKNPIVEM-UHFFFAOYSA-N 1 0 322.453 0.885 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CN1CSCC1=O ZINC000069899244 396094263 /nfs/dbraw/zinc/09/42/63/396094263.db2.gz BHIDCZJPTIGXIO-OLZOCXBDSA-N 1 0 311.451 0.995 50 0 DCAARO COC(=O)N1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000069923793 396095641 /nfs/dbraw/zinc/09/56/41/396095641.db2.gz MFINMSJDDOZXDT-OLZOCXBDSA-N 1 0 312.414 0.999 50 0 DCAARO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000070040111 396098832 /nfs/dbraw/zinc/09/88/32/396098832.db2.gz WJLOTJXUAQECLP-ZDUSSCGKSA-N 1 0 317.393 0.254 50 0 DCAARO O=C(CN1CC[NH+](CCc2cccs2)CC1)N1CCNC1=O ZINC000071824836 396117041 /nfs/dbraw/zinc/11/70/41/396117041.db2.gz GHDICFPAOLUXDR-UHFFFAOYSA-N 1 0 322.434 0.460 50 0 DCAARO Cc1cnn(CC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)c1 ZINC000071877028 396121793 /nfs/dbraw/zinc/12/17/93/396121793.db2.gz XUHHUBXYZMNONY-KRWDZBQOSA-N 1 0 322.453 0.597 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000071880506 396122693 /nfs/dbraw/zinc/12/26/93/396122693.db2.gz NKYWBHUHENTBKI-GJZGRUSLSA-N 1 0 309.410 0.321 50 0 DCAARO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000072277634 396129028 /nfs/dbraw/zinc/12/90/28/396129028.db2.gz IDIPGAXCXBJEGY-LBPRGKRZSA-N 1 0 300.428 0.539 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2cnc[nH]2)[C@@H](C)C1 ZINC000072300613 396130533 /nfs/dbraw/zinc/13/05/33/396130533.db2.gz FKAKSBACPDRJEI-AAEUAGOBSA-N 1 0 300.428 0.948 50 0 DCAARO O=C1C[C@H]([NH2+]Cc2ccncc2)CN1CCN1CCOCC1 ZINC000172697022 396133092 /nfs/dbraw/zinc/13/30/92/396133092.db2.gz BHOXOBPWLBFHFE-HNNXBMFYSA-N 1 0 304.394 0.104 50 0 DCAARO COc1ccnc(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000069416270 396077990 /nfs/dbraw/zinc/07/79/90/396077990.db2.gz KCNRHDKSITZYTG-LBPRGKRZSA-N 1 0 305.382 0.086 50 0 DCAARO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1cc(C)on1 ZINC000069592226 396083593 /nfs/dbraw/zinc/08/35/93/396083593.db2.gz OMQRWWYFBRDUAB-MNOVXSKESA-N 1 0 304.354 0.896 50 0 DCAARO CC[NH+]1CCN(CC(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000073008711 396140755 /nfs/dbraw/zinc/14/07/55/396140755.db2.gz FZADJNAFBLJQPA-UHFFFAOYSA-N 1 0 324.469 0.579 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1[NH+](C)C ZINC000076050927 396193748 /nfs/dbraw/zinc/19/37/48/396193748.db2.gz HLVXECUUTVUYEA-UPJWGTAASA-N 1 0 317.455 0.067 50 0 DCAARO CC(C)[N@H+]1C[C@H](NS(=O)(=O)N2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000076058696 396195198 /nfs/dbraw/zinc/19/51/98/396195198.db2.gz MHGQOIFSDNGCKT-XQQFMLRXSA-N 1 0 305.444 0.270 50 0 DCAARO CCCn1nc2c(cc1=O)C[N@@H+](CCN1CCCC1=O)CC2 ZINC000076064649 396195689 /nfs/dbraw/zinc/19/56/89/396195689.db2.gz MWVLNMDVUZLAKE-UHFFFAOYSA-N 1 0 304.394 0.634 50 0 DCAARO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000280362166 396196009 /nfs/dbraw/zinc/19/60/09/396196009.db2.gz YEPUNYUTXWUXTF-NSHDSACASA-N 1 0 319.327 0.775 50 0 DCAARO Cc1noc(C)c1C(=O)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077300548 396218441 /nfs/dbraw/zinc/21/84/41/396218441.db2.gz JKUVNPZZNSCLKJ-INIZCTEOSA-N 1 0 323.393 0.591 50 0 DCAARO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000077469994 396223099 /nfs/dbraw/zinc/22/30/99/396223099.db2.gz BQEGHJNLGDPRSM-GXFFZTMASA-N 1 0 324.406 0.502 50 0 DCAARO Cn1nnc(-c2ccc(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2)n1 ZINC000077459282 396223440 /nfs/dbraw/zinc/22/34/40/396223440.db2.gz CMCBTJZINVIWTI-UONOGXRCSA-N 1 0 312.377 0.653 50 0 DCAARO O=C(Cc1ccc(CO)cc1)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000584888896 396633129 /nfs/dbraw/zinc/63/31/29/396633129.db2.gz ORYZFRJVJGXCKP-INIZCTEOSA-N 1 0 306.406 0.542 50 0 DCAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cccnc2-n2cncn2)C1 ZINC000584895591 396634534 /nfs/dbraw/zinc/63/45/34/396634534.db2.gz PYNRJBLOMSGQOO-CYBMUJFWSA-N 1 0 316.365 0.983 50 0 DCAARO COc1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1Cl ZINC000165655430 158365083 /nfs/dbraw/zinc/36/50/83/158365083.db2.gz CISDASHUSGIHNQ-SECBINFHSA-N 1 0 320.798 0.697 50 0 DCAARO CC(C)(C)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000004011638 415128425 /nfs/dbraw/zinc/12/84/25/415128425.db2.gz ZWQRYMAQBRMOGB-UHFFFAOYSA-N 1 0 322.413 0.755 50 0 DCAARO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007708363 415139753 /nfs/dbraw/zinc/13/97/53/415139753.db2.gz OXDVREJIQGDYFX-UHFFFAOYSA-N 1 0 311.407 0.653 50 0 DCAARO CCC(=O)N1CCN(c2nc(N3CCOCC3)cc(C)[nH+]2)CC1 ZINC000009620710 415144712 /nfs/dbraw/zinc/14/47/12/415144712.db2.gz WLTLKZJWJCOSGC-UHFFFAOYSA-N 1 0 319.409 0.680 50 0 DCAARO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)CC1 ZINC000048303028 415291419 /nfs/dbraw/zinc/29/14/19/415291419.db2.gz XLLBPRITIQLDBH-UHFFFAOYSA-N 1 0 315.381 0.878 50 0 DCAARO C[N@@H+]1CCC[C@H](N2CCN([C@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000071909028 415411218 /nfs/dbraw/zinc/41/12/18/415411218.db2.gz PDKBGMBQDDXUIX-IRXDYDNUSA-N 1 0 316.449 0.925 50 0 DCAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)CCc1c(C)n[nH]c1C ZINC000067472916 415378502 /nfs/dbraw/zinc/37/85/02/415378502.db2.gz GHPFVDIKPOJRAU-OCCSQVGLSA-N 1 0 322.409 0.663 50 0 DCAARO CC(C)N1CCCn2nc(C(=O)NC3CC[NH2+]CC3)cc2C1 ZINC000067649686 415378683 /nfs/dbraw/zinc/37/86/83/415378683.db2.gz IVDHYGHBGLNYHU-UHFFFAOYSA-N 1 0 305.426 0.979 50 0 DCAARO Cc1nn(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)c(C)c1C ZINC000067679074 415385828 /nfs/dbraw/zinc/38/58/28/415385828.db2.gz YSPICTDJKKKFKH-KBPBESRZSA-N 1 0 321.425 0.261 50 0 DCAARO CCC[C@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C[C@@H]1[NH+](C)C ZINC000091620912 415537146 /nfs/dbraw/zinc/53/71/46/415537146.db2.gz CIKJRLDZGLAUHU-STQMWFEESA-N 1 0 322.409 0.115 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C[C@H](C)O ZINC000106868216 415651034 /nfs/dbraw/zinc/65/10/34/415651034.db2.gz IMJJBLQJFNYULN-UONOGXRCSA-N 1 0 323.441 0.444 50 0 DCAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000106758664 415643520 /nfs/dbraw/zinc/64/35/20/415643520.db2.gz JGCBMWVWAAZEQD-TUAOUCFPSA-N 1 0 312.414 0.587 50 0 DCAARO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000106758658 415644171 /nfs/dbraw/zinc/64/41/71/415644171.db2.gz JGCBMWVWAAZEQD-QJPTWQEYSA-N 1 0 312.414 0.587 50 0 DCAARO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000096491547 415582007 /nfs/dbraw/zinc/58/20/07/415582007.db2.gz IQMCKIMIHKLMBS-ZIAGYGMSSA-N 1 0 304.456 0.510 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000125134929 415857941 /nfs/dbraw/zinc/85/79/41/415857941.db2.gz UCEBXHKXPDVWKJ-SNVBAGLBSA-N 1 0 316.810 0.934 50 0 DCAARO O=C(CCc1nc(Cl)n[nH]1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000299781497 416066855 /nfs/dbraw/zinc/06/68/55/416066855.db2.gz UMFGJUZPWHPEQR-UWVGGRQHSA-N 1 0 313.789 0.370 50 0 DCAARO C[NH+]1CCN([C@@H]2CCN(C(=O)CCCn3cccn3)C2)CC1 ZINC000299787549 416070265 /nfs/dbraw/zinc/07/02/65/416070265.db2.gz OZFQJXTVSZIRSN-OAHLLOKOSA-N 1 0 305.426 0.512 50 0 DCAARO C[NH2+]C[C@H]1CCCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000159086780 416008003 /nfs/dbraw/zinc/00/80/03/416008003.db2.gz WZLBDVVTJOKUGR-GFCCVEGCSA-N 1 0 302.378 0.788 50 0 DCAARO NC(=O)c1cc(C(=O)NC[C@H]2CCC[NH2+]2)nn1-c1ccccc1 ZINC000178750914 416172349 /nfs/dbraw/zinc/17/23/49/416172349.db2.gz GDTUZTBIURLLJN-LLVKDONJSA-N 1 0 313.361 0.453 50 0 DCAARO COc1ccc(C(=O)N2CCN(Cc3nccn3C)CC2)o1 ZINC000215124226 416327218 /nfs/dbraw/zinc/32/72/18/416327218.db2.gz UDKKZHIGADADCJ-UHFFFAOYSA-N 1 0 304.350 0.980 50 0 DCAARO CCCn1ncc(C(=O)N2CCN(CCOCCO)CC2)c1C ZINC000215174980 416327231 /nfs/dbraw/zinc/32/72/31/416327231.db2.gz WIJMBRVZXCRETJ-UHFFFAOYSA-N 1 0 324.425 0.368 50 0 DCAARO O=C(NCCc1c[nH]cn1)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000216290041 416327332 /nfs/dbraw/zinc/32/73/32/416327332.db2.gz FVKFTYWJZMLERS-GFCCVEGCSA-N 1 0 317.397 0.506 50 0 DCAARO O=C(NCCc1c[nH]cn1)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000216289994 416327425 /nfs/dbraw/zinc/32/74/25/416327425.db2.gz FVKFTYWJZMLERS-LBPRGKRZSA-N 1 0 317.397 0.506 50 0 DCAARO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000240900751 416329941 /nfs/dbraw/zinc/32/99/41/416329941.db2.gz ITONUQNWRSYXNG-HOCLYGCPSA-N 1 0 306.410 0.954 50 0 DCAARO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000239667440 416329987 /nfs/dbraw/zinc/32/99/87/416329987.db2.gz BQCJWKCOLZDTKG-KGLIPLIRSA-N 1 0 316.467 0.812 50 0 DCAARO C[C@@H](C[NH+]1CCC(c2nnc(CO)n2C)CC1)N1CCOCC1 ZINC000244716171 416330972 /nfs/dbraw/zinc/33/09/72/416330972.db2.gz LJTWWPWZRRXTAH-ZDUSSCGKSA-N 1 0 323.441 0.208 50 0 DCAARO CC[N@@H+]1C[C@H](Nc2ccc(-c3nccn3C)nn2)[C@@H](OC)C1 ZINC000584886721 416516435 /nfs/dbraw/zinc/51/64/35/416516435.db2.gz UYKXUBRIZGMAFF-STQMWFEESA-N 1 0 302.382 1.008 50 0 DCAARO COCc1nc(NCC2CC[NH2+]CC2)cc([C@@H]2CCOC2)n1 ZINC000426698484 416782341 /nfs/dbraw/zinc/78/23/41/416782341.db2.gz VESPWRKPINCHKL-CYBMUJFWSA-N 1 0 306.410 1.538 50 0 DCAARO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000528635476 417370343 /nfs/dbraw/zinc/37/03/43/417370343.db2.gz BLMSUEHWXFNKMO-HUUCEWRRSA-N 1 0 309.410 0.498 50 0 DCAARO Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1F ZINC000647886270 418070221 /nfs/dbraw/zinc/07/02/21/418070221.db2.gz JWKKZIGGJXRJOK-STQMWFEESA-N 1 0 302.371 0.430 50 0 DCAARO COc1cc(/C=C\C(=O)N2CC[NH2+]CC2)ccc1OCC(N)=O ZINC000493219489 272176054 /nfs/dbraw/zinc/17/60/54/272176054.db2.gz ILYVWGQHUJAREK-HYXAFXHYSA-N 1 0 319.361 0.004 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)nc1 ZINC000040288021 276371984 /nfs/dbraw/zinc/37/19/84/276371984.db2.gz ZWYFSRZZCZGNGF-GFCCVEGCSA-N 1 0 306.366 0.629 50 0 DCAARO CC(C)(C)[NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000016473677 277172233 /nfs/dbraw/zinc/17/22/33/277172233.db2.gz LGBWURLWDLZYMN-UHFFFAOYSA-N 1 0 313.423 0.381 50 0 DCAARO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000058415699 278203603 /nfs/dbraw/zinc/20/36/03/278203603.db2.gz YXRZTXLNSHMAJA-JTQLQIEISA-N 1 0 322.365 0.191 50 0 DCAARO Cn1cc([C@]2(C)CN(C(=O)C[NH2+]C[C@@H]3CCCO3)CCO2)cn1 ZINC000237713093 279351449 /nfs/dbraw/zinc/35/14/49/279351449.db2.gz OPRBYKXPJXHELP-HOCLYGCPSA-N 1 0 322.409 0.263 50 0 DCAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)on1 ZINC000072268019 280616371 /nfs/dbraw/zinc/61/63/71/280616371.db2.gz LOQWVOYMFSUCGD-ONGXEEELSA-N 1 0 304.354 0.815 50 0 DCAARO C[NH+](C)CCCNC(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000065437569 289116742 /nfs/dbraw/zinc/11/67/42/289116742.db2.gz XUUHFKQVZSYNBE-LBPRGKRZSA-N 1 0 320.459 0.051 50 0 DCAARO Cc1cnn(C[C@H](C)[NH2+][C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000075131777 293003728 /nfs/dbraw/zinc/00/37/28/293003728.db2.gz JWLJNFAQGLSRSI-IHRRRGAJSA-N 1 0 321.425 0.282 50 0 DCAARO Cc1[nH]nc(C(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)c1Cl ZINC000299758116 293091534 /nfs/dbraw/zinc/09/15/34/293091534.db2.gz CJQXTKNQNCKEJS-LLVKDONJSA-N 1 0 311.817 0.833 50 0 DCAARO Cc1nc2c(c(C)n1)C[C@H](CN1CC3(CC[NH2+]CC3)OC1=O)O2 ZINC000095523610 293402515 /nfs/dbraw/zinc/40/25/15/293402515.db2.gz JIDGLVZBWHTSID-GFCCVEGCSA-N 1 0 318.377 0.971 50 0 DCAARO Cn1ccnc1[C@](O)(CCNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000153173337 294438985 /nfs/dbraw/zinc/43/89/85/294438985.db2.gz PZSMRNWUUOOJHN-JOYOIKCWSA-N 1 0 320.315 0.428 50 0 DCAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000249089687 295106663 /nfs/dbraw/zinc/10/66/63/295106663.db2.gz CWCULIKULCJJDQ-UTLUCORTSA-N 1 0 307.316 0.783 50 0 DCAARO O=S(=O)(N1CCC[C@H]1C[NH+]1CCCCC1)N1CCOCC1 ZINC000065624625 304755810 /nfs/dbraw/zinc/75/58/10/304755810.db2.gz BORDQJOQJUMGME-AWEZNQCLSA-N 1 0 317.455 0.514 50 0 DCAARO Cn1nc2c(cc1=O)CN(C(=O)[C@H](C[NH3+])c1ccccc1)CC2 ZINC000095971688 303044944 /nfs/dbraw/zinc/04/49/44/303044944.db2.gz BHAQOYBTXTZOMU-CQSZACIVSA-N 1 0 312.373 0.408 50 0 DCAARO Cc1cccc(Cl)c1S(=O)(=O)NC[C@H](O)C[NH+](C)C ZINC000534593105 334294975 /nfs/dbraw/zinc/29/49/75/334294975.db2.gz GRBJWLRLKNISHZ-JTQLQIEISA-N 1 0 306.815 0.849 50 0 DCAARO Cc1ccccc1OC[C@H](O)C(=O)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534660492 334313433 /nfs/dbraw/zinc/31/34/33/334313433.db2.gz AESWEUQPVJNOOP-NPJQDHAYSA-N 1 0 316.401 0.944 50 0 DCAARO O=S(=O)(Cc1ccc(Cl)cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000534647245 334315783 /nfs/dbraw/zinc/31/57/83/334315783.db2.gz LTORJAFQJSZIOA-LBPRGKRZSA-N 1 0 304.799 0.748 50 0 DCAARO COc1ccc(CCNC(=O)CN2C[C@@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC000534666300 334318846 /nfs/dbraw/zinc/31/88/46/334318846.db2.gz DUFXXYIBIZNYBT-HOTGVXAUSA-N 1 0 319.405 0.027 50 0 DCAARO CNC(=O)c1ccc(C[NH2+][C@H]2COC[C@H]2n2ccnn2)cc1 ZINC000284482492 536428854 /nfs/dbraw/zinc/42/88/54/536428854.db2.gz BATFDAJXUGZKDB-UONOGXRCSA-N 1 0 301.350 0.367 50 0 DCAARO CC(C)[C@H](C(=O)N1CCN(C(=O)c2cnccn2)CC1)[NH+](C)C ZINC000084622387 545702938 /nfs/dbraw/zinc/70/29/38/545702938.db2.gz DXFLNQDBKBBZCI-CQSZACIVSA-N 1 0 319.409 0.347 50 0 DCAARO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(-n2cnnn2)cc1 ZINC000090466440 545715960 /nfs/dbraw/zinc/71/59/60/545715960.db2.gz YPUGAJXNCXJVRY-FZMZJTMJSA-N 1 0 321.406 0.890 50 0 DCAARO CC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000584907936 546302595 /nfs/dbraw/zinc/30/25/95/546302595.db2.gz PVUSJNPMQNEAEH-UHFFFAOYSA-N 1 0 303.362 0.693 50 0 DCAARO Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000670433932 547087883 /nfs/dbraw/zinc/08/78/83/547087883.db2.gz RBKLDFJSRPTYPT-CYBMUJFWSA-N 1 0 311.407 0.142 50 0 DCAARO C[NH+](C)C[C@H]1COCCN(C(=O)CCN2CCCCC2=O)C1 ZINC000670459220 547097463 /nfs/dbraw/zinc/09/74/63/547097463.db2.gz OXBRAQARQFHVSQ-CQSZACIVSA-N 1 0 311.426 0.426 50 0 DCAARO C[NH+](C)[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1n1ccnn1 ZINC000685940138 548746002 /nfs/dbraw/zinc/74/60/02/548746002.db2.gz WWCPKQSGQIGTOH-NEPJUHHUSA-N 1 0 308.773 0.887 50 0 DCAARO CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)c1cc(Cl)cnc1N ZINC000685942285 548748341 /nfs/dbraw/zinc/74/83/41/548748341.db2.gz JTZSJGNPANXOEO-LLVKDONJSA-N 1 0 306.819 0.969 50 0 DCAARO CN(C)c1ccc(NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000888096886 661176067 /nfs/dbraw/zinc/17/60/67/661176067.db2.gz VUQQYBHJPGEVAX-HNNXBMFYSA-N 1 0 303.366 0.985 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3cc[nH]n3)C2)CC1 ZINC000299800586 659649107 /nfs/dbraw/zinc/64/91/07/659649107.db2.gz UDVWTZDOXSEZJD-AWEZNQCLSA-N 1 0 319.453 0.875 50 0 DCAARO COCC[N@@H+]1CCC[C@H](CNc2cncc(C(=O)N(C)C)n2)C1 ZINC000952962843 685598027 /nfs/dbraw/zinc/59/80/27/685598027.db2.gz GEYHNPIFYZJRQK-CYBMUJFWSA-N 1 0 321.425 0.949 50 0 DCAARO COc1cccc(OCC[N@@H+]2CCN3CCOC[C@]3(CO)C2)c1 ZINC000952991608 685602566 /nfs/dbraw/zinc/60/25/66/685602566.db2.gz BQTICPXHBRKTLY-QGZVFWFLSA-N 1 0 322.405 0.453 50 0 DCAARO CCCn1ccnc1CNC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952989146 685602988 /nfs/dbraw/zinc/60/29/88/685602988.db2.gz VGPHPWNPYXSJEA-LBPRGKRZSA-N 1 0 307.398 0.107 50 0 DCAARO CCn1c([C@@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)nn(C)c1=O ZINC000067965782 685071196 /nfs/dbraw/zinc/07/11/96/685071196.db2.gz ACLDHDSTDQJVCS-LLVKDONJSA-N 1 0 317.397 0.666 50 0 DCAARO Cc1nc(C)c(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)nc1C ZINC000077504643 685081463 /nfs/dbraw/zinc/08/14/63/685081463.db2.gz UAXZULRQUNYGLM-UHFFFAOYSA-N 1 0 303.366 0.576 50 0 DCAARO CC[N@H+](C1CN(C(=O)c2cnccn2)C1)C1CCN(C)CC1 ZINC000253412412 685187655 /nfs/dbraw/zinc/18/76/55/685187655.db2.gz QYDZBOGISGRJLT-UHFFFAOYSA-N 1 0 303.410 0.717 50 0 DCAARO CN(C)c1nccnc1NCC1(C[NH+]2CCN(C)CC2)CC1 ZINC001704296982 1179964209 /nfs/dbraw/zinc/96/42/09/1179964209.db2.gz BBAMPBSVKSQICR-UHFFFAOYSA-N 1 0 304.442 0.982 50 0 DCAARO C[N@@H+]1C[C@H]2COC[C@@H]1CN(C(=O)COc1cccc(F)c1)C2 ZINC001704308946 1179968487 /nfs/dbraw/zinc/96/84/87/1179968487.db2.gz UBONLROIMUAQBK-OCCSQVGLSA-N 1 0 308.353 0.994 50 0 DCAARO CN(C)c1cc(N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)nc(N)n1 ZINC001704325977 1179973375 /nfs/dbraw/zinc/97/33/75/1179973375.db2.gz SINHOIRNFMWDKK-MLGOLLRUSA-N 1 0 320.441 0.408 50 0 DCAARO O=C(c1cncc(F)c1)N1CCC[N@H+](CCn2cnnc2)CC1 ZINC001704351757 1179983410 /nfs/dbraw/zinc/98/34/10/1179983410.db2.gz RNCJCWAFNYNOAG-UHFFFAOYSA-N 1 0 318.356 0.660 50 0 DCAARO C[NH+]1CCC(NC(=O)[C@@H]2Cc3[nH]cnc3C3(CCCC3)N2)CC1 ZINC000675015540 748027004 /nfs/dbraw/zinc/02/70/04/748027004.db2.gz YKHYTSIPRNMDBB-AWEZNQCLSA-N 1 0 317.437 0.904 50 0 DCAARO CC[C@@H](C(=O)N1CCN(S(=O)(=O)CC)CC1)[N@H+](C)CC ZINC000823061336 758218997 /nfs/dbraw/zinc/21/89/97/758218997.db2.gz OWZKNHRENDOAOY-LBPRGKRZSA-N 1 0 305.444 0.211 50 0 DCAARO CC[NH+]1CCN(CC(=O)NC[C@H](O)c2cccc(O)c2)CC1 ZINC000823112975 758222140 /nfs/dbraw/zinc/22/21/40/758222140.db2.gz WLHBGXPXQZDEBD-HNNXBMFYSA-N 1 0 307.394 0.179 50 0 DCAARO C[NH+]1CCC(O)(CNS(=O)(=O)N2CCC(C)(C)CC2)CC1 ZINC000823761144 758264512 /nfs/dbraw/zinc/26/45/12/758264512.db2.gz NTLOJKVPBPJLOO-UHFFFAOYSA-N 1 0 319.471 0.400 50 0 DCAARO CN1CCN(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000823791296 758275936 /nfs/dbraw/zinc/27/59/36/758275936.db2.gz VHRPVDRICQVREU-ZDUSSCGKSA-N 1 0 318.487 0.189 50 0 DCAARO COCC1CCN(S(=O)(=O)N2C[C@@H]3CC[C@H]2C[NH2+]C3)CC1 ZINC000824372333 758772283 /nfs/dbraw/zinc/77/22/83/758772283.db2.gz YVGMNJMYJYAWSP-KGLIPLIRSA-N 1 0 317.455 0.273 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000827847788 758893601 /nfs/dbraw/zinc/89/36/01/758893601.db2.gz RGICYIHZDWXSMZ-UHFFFAOYSA-N 1 0 315.377 0.695 50 0 DCAARO Cc1cnccc1C(=O)NCC1CC[NH+](C[C@H](O)CO)CC1 ZINC000828655304 759056037 /nfs/dbraw/zinc/05/60/37/759056037.db2.gz OXSAEJAHQOEZLS-AWEZNQCLSA-N 1 0 307.394 0.185 50 0 DCAARO Cc1noc(C)c1CC[N@H+]1CC[C@@]2(C1)C(=O)N(C)C(=O)N2C ZINC000581782929 760249448 /nfs/dbraw/zinc/24/94/48/760249448.db2.gz QYUMUYIESVYQOM-OAHLLOKOSA-N 1 0 306.366 0.802 50 0 DCAARO O=C(N[C@@H]1C[N@H+](C2CCOCC2)CC[C@@H]1CO)c1cccnc1 ZINC000581799226 760250810 /nfs/dbraw/zinc/25/08/10/760250810.db2.gz MKHPVRJRBZFERP-GDBMZVCRSA-N 1 0 319.405 0.673 50 0 DCAARO O=C(c1ccccn1)N1CCC2(C[C@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000581811591 760253754 /nfs/dbraw/zinc/25/37/54/760253754.db2.gz SRBDXOCLYLGBRV-AWEZNQCLSA-N 1 0 314.389 0.508 50 0 DCAARO CS(=O)(=O)N1CC(CN2CC[NH2+]C[C@H]2c2ccccc2)C1 ZINC000952876958 768940958 /nfs/dbraw/zinc/94/09/58/768940958.db2.gz JALAXIMRPXSEGB-HNNXBMFYSA-N 1 0 309.435 0.524 50 0 DCAARO Cc1nc[nH]c1C(=O)N1CCC[N@H+](C[C@H]2COCCO2)CC1 ZINC001529185130 1014514623 /nfs/dbraw/zinc/51/46/23/1014514623.db2.gz KKMGMBFSKQCGQE-ZDUSSCGKSA-N 1 0 308.382 0.281 50 0 DCAARO C[NH2+]CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl ZINC001529190176 1014517376 /nfs/dbraw/zinc/51/73/76/1014517376.db2.gz FWYGDCQOKHBRAO-OLZOCXBDSA-N 1 0 311.769 0.232 50 0 DCAARO C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)CC2 ZINC001506396130 1017253527 /nfs/dbraw/zinc/25/35/27/1017253527.db2.gz AHDRYNNJXUDEGU-CYBMUJFWSA-N 1 0 308.426 0.721 50 0 DCAARO COCC[N@@H+]1CC[C@H](CN(C)c2cncc(C(=O)N(C)C)n2)C1 ZINC001506402409 1017254931 /nfs/dbraw/zinc/25/49/31/1017254931.db2.gz OQYKAMUDJLNRLU-CYBMUJFWSA-N 1 0 321.425 0.583 50 0 DCAARO Cn1ccnc1C(=O)NCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001506418154 1017263093 /nfs/dbraw/zinc/26/30/93/1017263093.db2.gz DZUFTCDNPSKZHL-UHFFFAOYSA-N 1 0 319.453 0.956 50 0 DCAARO CC1=C(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)OCCO1 ZINC001506421588 1017266979 /nfs/dbraw/zinc/26/69/79/1017266979.db2.gz RBVMLJPMFUEYSP-UHFFFAOYSA-N 1 0 310.394 0.714 50 0 DCAARO Cn1ncc2c1nc(N1CCC[C@]3(CC[N@H+](C)C3)C1)nc2N ZINC001506423601 1017265373 /nfs/dbraw/zinc/26/53/73/1017265373.db2.gz YBNNUDWSAZOMMW-OAHLLOKOSA-N 1 0 301.398 0.868 50 0 DCAARO Cc1nccn1CCN(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000095499081 185374663 /nfs/dbraw/zinc/37/46/63/185374663.db2.gz PRSBMEIUXABRAF-AWEZNQCLSA-N 1 0 321.425 0.060 50 0 DCAARO C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CCC[NH2+]1 ZINC000182879359 199504565 /nfs/dbraw/zinc/50/45/65/199504565.db2.gz XROQPQDGNIZRJZ-BXUZGUMPSA-N 1 0 300.362 0.653 50 0 DCAARO NC(=O)C[C@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000097019855 185398284 /nfs/dbraw/zinc/39/82/84/185398284.db2.gz XXDPNRVGSSIQIV-GFCCVEGCSA-N 1 0 301.390 0.597 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1ccccn1 ZINC000067642783 190711972 /nfs/dbraw/zinc/71/19/72/190711972.db2.gz ZCTQYRVTOQRZHM-OCCSQVGLSA-N 1 0 304.394 0.467 50 0 DCAARO COc1ccccc1COC[C@@H](O)C[NH+]1CCN(CCO)CC1 ZINC000083980372 192393324 /nfs/dbraw/zinc/39/33/24/192393324.db2.gz UTUGYYYYTPWGSM-INIZCTEOSA-N 1 0 324.421 0.183 50 0 DCAARO COc1nc2c(cc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1)CCC2 ZINC000072146614 191053170 /nfs/dbraw/zinc/05/31/70/191053170.db2.gz RSTCXCNGPFLTKD-KRWDZBQOSA-N 1 0 319.405 0.718 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)NCCc1nc(-c2ccccn2)no1 ZINC000072146110 191053718 /nfs/dbraw/zinc/05/37/18/191053718.db2.gz RGSSKNMFPMHXDO-LLVKDONJSA-N 1 0 317.349 0.169 50 0 DCAARO [NH3+]CC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072148471 191054951 /nfs/dbraw/zinc/05/49/51/191054951.db2.gz NRSPXTDYQVHSEU-AWEZNQCLSA-N 1 0 320.412 0.897 50 0 DCAARO CN1CC2(CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)OC1=O ZINC000077518398 282675449 /nfs/dbraw/zinc/67/54/49/282675449.db2.gz OFEADKQWSPXKQN-LBPRGKRZSA-N 1 0 316.423 0.728 50 0 DCAARO c1cn(Cc2cnn3cccnc23)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072419415 191157634 /nfs/dbraw/zinc/15/76/34/191157634.db2.gz NVLDGQCQBJWTBW-UHFFFAOYSA-N 1 0 320.360 0.941 50 0 DCAARO CSCC[C@H](O)C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072421428 191158391 /nfs/dbraw/zinc/15/83/91/191158391.db2.gz WNSZPQUGHPABGS-AWEZNQCLSA-N 1 0 309.435 0.766 50 0 DCAARO O[C@@]1(CNCCc2noc(-c3ccccc3)n2)CCC[NH2+]C1 ZINC000072429001 191161442 /nfs/dbraw/zinc/16/14/42/191161442.db2.gz SWHWAFHKBWHXQV-INIZCTEOSA-N 1 0 302.378 0.983 50 0 DCAARO Cc1cccnc1CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000072432110 191163928 /nfs/dbraw/zinc/16/39/28/191163928.db2.gz LWSYJYYOXKRKLI-HNNXBMFYSA-N 1 0 304.394 0.023 50 0 DCAARO COCCNc1nc(C)nc2c1CCN([C@H]1CCC[NH2+]C1)CC2 ZINC000072458661 191173510 /nfs/dbraw/zinc/17/35/10/191173510.db2.gz LNJKKXCTHSKBBU-AWEZNQCLSA-N 1 0 319.453 0.996 50 0 DCAARO CC(=O)NCCNc1nc(CC2CC2)nc2c1CC[NH2+]CC2 ZINC000072474391 191177504 /nfs/dbraw/zinc/17/75/04/191177504.db2.gz BEFSQJGEBBSGCG-UHFFFAOYSA-N 1 0 303.410 0.665 50 0 DCAARO COC(=O)[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc(C)cc1 ZINC000005273974 181224811 /nfs/dbraw/zinc/22/48/11/181224811.db2.gz XWVNOUSQIVZZJK-CYBMUJFWSA-N 1 0 314.407 0.944 50 0 DCAARO CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000081051948 192220927 /nfs/dbraw/zinc/22/09/27/192220927.db2.gz VXQUKHVMWUABGQ-LBPRGKRZSA-N 1 0 323.315 0.706 50 0 DCAARO CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1OCC ZINC000236926688 202074566 /nfs/dbraw/zinc/07/45/66/202074566.db2.gz KUFLXPZDLNWZLC-KGLIPLIRSA-N 1 0 322.405 0.866 50 0 DCAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000237165816 202173380 /nfs/dbraw/zinc/17/33/80/202173380.db2.gz AOYNBCQHBFWHTB-LSDHHAIUSA-N 1 0 319.405 0.204 50 0 DCAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(S(N)(=O)=O)c(C)o1 ZINC000237255475 202205970 /nfs/dbraw/zinc/20/59/70/202205970.db2.gz SIKNMHVDMJAYFY-SECBINFHSA-N 1 0 301.368 0.059 50 0 DCAARO Cc1nccn1Cc1cccc(CNC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000237631680 202310251 /nfs/dbraw/zinc/31/02/51/202310251.db2.gz FAYNCWOZGGHAHA-MRXNPFEDSA-N 1 0 314.389 0.844 50 0 DCAARO Cc1ccc(CC(=O)N2CCN(C(=O)CCC[NH3+])CC2)cc1 ZINC000237668362 202322771 /nfs/dbraw/zinc/32/27/71/202322771.db2.gz MXSWEPUDZVPMNP-UHFFFAOYSA-N 1 0 303.406 0.947 50 0 DCAARO C[C@@H]1CN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CC[NH2+]1 ZINC000188479159 200253942 /nfs/dbraw/zinc/25/39/42/200253942.db2.gz LBGYLQAYXFRNPW-RPTYSRGTSA-N 1 0 303.362 0.384 50 0 DCAARO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000237854556 202371436 /nfs/dbraw/zinc/37/14/36/202371436.db2.gz DOSGBGCSOWJHAW-NSHDSACASA-N 1 0 309.391 0.535 50 0 DCAARO NC(=O)C1CC[NH+](CC(=O)N2CCC[C@H]2c2ccccn2)CC1 ZINC000091486581 193063126 /nfs/dbraw/zinc/06/31/26/193063126.db2.gz RXEOJOCHBVZUST-HNNXBMFYSA-N 1 0 316.405 0.942 50 0 DCAARO COCC[N@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccccn2)C1 ZINC000091646086 193084971 /nfs/dbraw/zinc/08/49/71/193084971.db2.gz HYLFNEQGYXHQGG-HUUCEWRRSA-N 1 0 321.421 0.730 50 0 DCAARO Cc1cccnc1N1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000091693877 193093278 /nfs/dbraw/zinc/09/32/78/193093278.db2.gz IXHKCGFCSOZYSX-AWEZNQCLSA-N 1 0 304.394 0.417 50 0 DCAARO CC[N@H+](C)C[C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@@H]1CO ZINC000091724374 193097048 /nfs/dbraw/zinc/09/70/48/193097048.db2.gz ZUUURUHBKDTSON-HUUCEWRRSA-N 1 0 308.426 0.600 50 0 DCAARO CC(C)(CN1CCN(C(=O)c2nc[nH]n2)CC1)C[NH+]1CCCC1 ZINC000215868601 201473667 /nfs/dbraw/zinc/47/36/67/201473667.db2.gz HJBIOOOPMJRLQL-UHFFFAOYSA-N 1 0 320.441 0.685 50 0 DCAARO CC[NH+]1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000019790830 182149455 /nfs/dbraw/zinc/14/94/55/182149455.db2.gz MWHAVCWXXNMAKZ-ZDUSSCGKSA-N 1 0 308.378 0.793 50 0 DCAARO O=C(CN1CCC(O)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020950982 182256192 /nfs/dbraw/zinc/25/61/92/182256192.db2.gz BWVBNXBPBYRCQJ-MRXNPFEDSA-N 1 0 317.433 0.834 50 0 DCAARO Cc1cccn2c(=O)c(C(=O)NCC[NH+]3CCCC3)cnc12 ZINC000021717401 182285576 /nfs/dbraw/zinc/28/55/76/182285576.db2.gz FTASYMJDPGFMKW-UHFFFAOYSA-N 1 0 300.362 0.829 50 0 DCAARO O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000040834020 183140092 /nfs/dbraw/zinc/14/00/92/183140092.db2.gz BWQZDPCKHIRQEQ-KOLCDFICSA-N 1 0 304.268 0.924 50 0 DCAARO C[C@@H](CNC(=O)c1cnc2n(c1=O)CCS2)[NH+]1CCCC1 ZINC000042505254 183277617 /nfs/dbraw/zinc/27/76/17/183277617.db2.gz GMIFNOQTJFQDPV-JTQLQIEISA-N 1 0 308.407 0.563 50 0 DCAARO CC(C)[NH+]1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000045522324 183513589 /nfs/dbraw/zinc/51/35/89/183513589.db2.gz QZTUPZFOXCBCKN-UHFFFAOYSA-N 1 0 303.366 0.049 50 0 DCAARO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)cc(S(N)(=O)=O)c1C ZINC000126202952 291709121 /nfs/dbraw/zinc/70/91/21/291709121.db2.gz XPBICALHDYTHOX-JTQLQIEISA-N 1 0 311.407 0.385 50 0 DCAARO C[NH+](C)[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)C1CCCCC1 ZINC000046949117 183574954 /nfs/dbraw/zinc/57/49/54/183574954.db2.gz RPGCXUQNZFCEKJ-CYBMUJFWSA-N 1 0 322.409 0.163 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1CNCC(C)(C)[NH+](C)C ZINC000058407405 184114142 /nfs/dbraw/zinc/11/41/42/184114142.db2.gz CTTDCDRSLDCKIN-UHFFFAOYSA-N 1 0 309.458 0.995 50 0 DCAARO CCOC(=O)c1cccnc1N1C[C@@H]2C[NH2+]C[C@]2(C(=O)OC)C1 ZINC000063856105 184289584 /nfs/dbraw/zinc/28/95/84/184289584.db2.gz NFXGPEKHQWJDES-ZBEGNZNMSA-N 1 0 319.361 0.457 50 0 DCAARO CN(CC[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)S(C)(=O)=O ZINC000065396923 184336175 /nfs/dbraw/zinc/33/61/75/184336175.db2.gz PWFLWFWTMNHUDW-CYBMUJFWSA-N 1 0 315.414 0.885 50 0 DCAARO C[N@@H+]1C[C@H](NC(=O)c2cccc(Cn3cccn3)c2)C[C@H]1CO ZINC000065405176 184338213 /nfs/dbraw/zinc/33/82/13/184338213.db2.gz JXTSIJSUSHIACZ-CVEARBPZSA-N 1 0 314.389 0.726 50 0 DCAARO O=C(C[NH+]1CCCC1)N1CCC[C@H](Cn2cc(CO)nn2)C1 ZINC000020994656 256528569 /nfs/dbraw/zinc/52/85/69/256528569.db2.gz AHHVBHBJCCDSPB-ZDUSSCGKSA-N 1 0 307.398 0.105 50 0 DCAARO CN(CC(=O)N1CCN[C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000216516273 257273498 /nfs/dbraw/zinc/27/34/98/257273498.db2.gz PUCWEEIYOKCESN-QGZVFWFLSA-N 1 0 316.449 0.843 50 0 DCAARO O=C(c1ccnn1CCO)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426737568 257243713 /nfs/dbraw/zinc/24/37/13/257243713.db2.gz WNEJWMNJPMYVOV-UHFFFAOYSA-N 1 0 301.350 0.233 50 0 DCAARO COCCN(Cc1cnn(C)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000426628802 257245315 /nfs/dbraw/zinc/24/53/15/257245315.db2.gz RTSRJFZTBRGTAY-CYBMUJFWSA-N 1 0 309.414 0.530 50 0 DCAARO COc1ccc(C(=O)N2CC(n3cccn3)C2)cc1OCC[NH3+] ZINC000426584956 257246153 /nfs/dbraw/zinc/24/61/53/257246153.db2.gz XMFAQDXJTXZTAE-UHFFFAOYSA-N 1 0 316.361 0.926 50 0 DCAARO Cc1cc(CNC(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)no1 ZINC000426588798 257246160 /nfs/dbraw/zinc/24/61/60/257246160.db2.gz BTRGCBAGOWFPLK-GFCCVEGCSA-N 1 0 303.366 0.963 50 0 DCAARO Cc1ccc(OCCS(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2O)cc1 ZINC000426534423 257247620 /nfs/dbraw/zinc/24/76/20/257247620.db2.gz HIWIPSODEFROTM-UONOGXRCSA-N 1 0 314.407 0.016 50 0 DCAARO COCCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069719812 184839819 /nfs/dbraw/zinc/83/98/19/184839819.db2.gz DEDZZBJGSKGAGP-MRXNPFEDSA-N 1 0 320.437 0.921 50 0 DCAARO COC(=O)[C@H](F)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000240225418 533302409 /nfs/dbraw/zinc/30/24/09/533302409.db2.gz DHRKINHRJKVRHU-RBSFLKMASA-N 1 0 315.433 0.988 50 0 DCAARO Cc1nc(C)n(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000120319604 132142846 /nfs/dbraw/zinc/14/28/46/132142846.db2.gz UHIMAMJIVWLTDX-CQSZACIVSA-N 1 0 309.414 0.368 50 0 DCAARO COCCN1CCC[C@](O)(C[NH2+]C2Cc3ccccc3C2)C1=O ZINC000012593126 395687871 /nfs/dbraw/zinc/68/78/71/395687871.db2.gz DTLUIMSLQNCGAT-SFHVURJKSA-N 1 0 318.417 0.743 50 0 DCAARO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cccc2nonc21 ZINC000013736355 395688975 /nfs/dbraw/zinc/68/89/75/395688975.db2.gz MYGNRDHHLPVIFD-UHFFFAOYSA-N 1 0 317.349 0.763 50 0 DCAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CC ZINC000014733170 395689552 /nfs/dbraw/zinc/68/95/52/395689552.db2.gz QNIHKFIWOUVPJQ-LLVKDONJSA-N 1 0 310.398 0.389 50 0 DCAARO CC(=O)N1CCC(C2CC[NH+]([C@H]3CC(=O)NC3=O)CC2)CC1 ZINC000015080463 395689716 /nfs/dbraw/zinc/68/97/16/395689716.db2.gz FSFYQQLRTKAODQ-AWEZNQCLSA-N 1 0 307.394 0.372 50 0 DCAARO CC[NH+]1CCN(c2ncc(C(=O)N3CCOCC3)c(C)n2)CC1 ZINC000021035238 395691492 /nfs/dbraw/zinc/69/14/92/395691492.db2.gz QMJIYYHWWOIBIG-UHFFFAOYSA-N 1 0 319.409 0.399 50 0 DCAARO C[N@H+](CCO)C[C@@H]1COCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000085469859 395700820 /nfs/dbraw/zinc/70/08/20/395700820.db2.gz XITVETHKDNPRPB-CYBMUJFWSA-N 1 0 322.361 0.180 50 0 DCAARO C[N@H+](CCO)C[C@@H]1COCCN1C(=O)c1cc(C2CC2)on1 ZINC000085470265 395701597 /nfs/dbraw/zinc/70/15/97/395701597.db2.gz CZBVGWMAKCTSRQ-GFCCVEGCSA-N 1 0 309.366 0.317 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)[C@@H](NC(N)=O)C(C)C)CC1 ZINC000089791056 395715358 /nfs/dbraw/zinc/71/53/58/395715358.db2.gz MQBASPVDVMARID-ZDUSSCGKSA-N 1 0 314.430 0.154 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)c2nncn2C)C1 ZINC000089840199 395715805 /nfs/dbraw/zinc/71/58/05/395715805.db2.gz HTUXAQYNYFABCB-QWHCGFSZSA-N 1 0 324.429 0.532 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ncn(C)c1Cl ZINC000035186437 395719419 /nfs/dbraw/zinc/71/94/19/395719419.db2.gz JSOIOVGGXYRZLB-VIFPVBQESA-N 1 0 306.819 0.836 50 0 DCAARO COc1cc(F)c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1OC ZINC000036297203 395722874 /nfs/dbraw/zinc/72/28/74/395722874.db2.gz FFGJOYSMVQZTIL-SECBINFHSA-N 1 0 318.370 0.955 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)c2ccco2)C1 ZINC000028015587 395695620 /nfs/dbraw/zinc/69/56/20/395695620.db2.gz PDXWFJVDHKOLAM-CYBMUJFWSA-N 1 0 323.393 0.482 50 0 DCAARO O=C(Cn1ccnn1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091645668 395727043 /nfs/dbraw/zinc/72/70/43/395727043.db2.gz SVLVZTKHDNKUQE-HUUCEWRRSA-N 1 0 321.425 0.221 50 0 DCAARO Cc1nnnn1Cc1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000096163121 395746578 /nfs/dbraw/zinc/74/65/78/395746578.db2.gz CDRZMPJNIGLEBV-UHFFFAOYSA-N 1 0 314.393 0.854 50 0 DCAARO Cc1cnn(C[C@H]2CCC[N@H+]2CC(=O)N2CCO[C@@H](C)C2)c1 ZINC000106784526 395783973 /nfs/dbraw/zinc/78/39/73/395783973.db2.gz RIKUNXFWGOREDD-LSDHHAIUSA-N 1 0 306.410 0.903 50 0 DCAARO CN(C)[C@H](CNc1c(=O)c(=O)c1NCC[NH+](C)C)c1ccco1 ZINC000101699467 395767266 /nfs/dbraw/zinc/76/72/66/395767266.db2.gz MXUGQAGBXQRHLP-LLVKDONJSA-N 1 0 320.393 0.564 50 0 DCAARO CS(=O)(=O)NCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000195544697 395831733 /nfs/dbraw/zinc/83/17/33/395831733.db2.gz BGPPRHXOMFBJTR-GXTWGEPZSA-N 1 0 301.456 0.484 50 0 DCAARO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]([NH3+])C3)cc21 ZINC000115959990 395841429 /nfs/dbraw/zinc/84/14/29/395841429.db2.gz ZAKMJEMKMBQPTF-CYBMUJFWSA-N 1 0 323.418 0.707 50 0 DCAARO C[N@@H+]1CCC[C@@H](C(=O)NCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000219500716 395845700 /nfs/dbraw/zinc/84/57/00/395845700.db2.gz PJYRFGQIXCKJHJ-GFCCVEGCSA-N 1 0 314.389 0.924 50 0 DCAARO COCCc1nc(CNc2cc(C3CC(O)C3)[nH+]c(N)n2)no1 ZINC000219894408 395846992 /nfs/dbraw/zinc/84/69/92/395846992.db2.gz XBGXOSYHYCKUOO-UHFFFAOYSA-N 1 0 320.353 0.481 50 0 DCAARO CCO[C@H]1C[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C[C@@H]1O ZINC000219907939 395847034 /nfs/dbraw/zinc/84/70/34/395847034.db2.gz NFJJVZBQWVYUKR-GJZGRUSLSA-N 1 0 320.393 0.163 50 0 DCAARO C[C@@H](CCC(=O)N(C)Cc1cnccn1)[NH+]1CCN(C)CC1 ZINC000220171465 395847859 /nfs/dbraw/zinc/84/78/59/395847859.db2.gz JXFCQRNYZYLWST-AWEZNQCLSA-N 1 0 305.426 0.851 50 0 DCAARO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCNS(=O)(=O)c1ccccc1 ZINC000222072004 395851505 /nfs/dbraw/zinc/85/15/05/395851505.db2.gz YNGKKOOEXYJVJC-KBPBESRZSA-N 1 0 311.451 0.989 50 0 DCAARO O=C(CCn1cncn1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000222909541 395853495 /nfs/dbraw/zinc/85/34/95/395853495.db2.gz MVKYJKULUGSFML-FAAHXZRKSA-N 1 0 305.382 0.036 50 0 DCAARO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124377066 395900471 /nfs/dbraw/zinc/90/04/71/395900471.db2.gz QHHIGFZCVMHQQO-LBPRGKRZSA-N 1 0 314.430 0.121 50 0 DCAARO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000125085833 395902416 /nfs/dbraw/zinc/90/24/16/395902416.db2.gz GHGOWHPZLZRGHW-JTQLQIEISA-N 1 0 318.420 0.120 50 0 DCAARO Cc1csc2nc(CN3CC[NH+](CCO)CC3)cc(=O)n12 ZINC000055422061 395918771 /nfs/dbraw/zinc/91/87/71/395918771.db2.gz NRFFZIRYXQMPAK-UHFFFAOYSA-N 1 0 308.407 0.174 50 0 DCAARO CC(C)n1cnnc1CN(C)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055414734 395918891 /nfs/dbraw/zinc/91/88/91/395918891.db2.gz ZHJAVTIJNQSVQR-GFCCVEGCSA-N 1 0 322.413 0.015 50 0 DCAARO CNc1cc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)ccn1 ZINC000244852984 395926092 /nfs/dbraw/zinc/92/60/92/395926092.db2.gz VDBQZEMHJXSZQJ-IIAWOOMASA-N 1 0 318.421 0.992 50 0 DCAARO CCn1c(CN(C)Cc2noc(C)n2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244898818 395926345 /nfs/dbraw/zinc/92/63/45/395926345.db2.gz ZCCPHRUWHUWTPN-PHIMTYICSA-N 1 0 305.386 0.826 50 0 DCAARO O=C(Cn1nc2ccccn2c1=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229384197 395873858 /nfs/dbraw/zinc/87/38/58/395873858.db2.gz BYTIKICLGOHNRW-STQMWFEESA-N 1 0 315.377 0.239 50 0 DCAARO CC(C)C[N@@H+]1CCN(C(=O)c2cccc(=O)[nH]2)C[C@H]1CCO ZINC000230504422 395881858 /nfs/dbraw/zinc/88/18/58/395881858.db2.gz VIPRLCZDHDWQIA-CYBMUJFWSA-N 1 0 307.394 0.540 50 0 DCAARO O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247658200 395977337 /nfs/dbraw/zinc/97/73/37/395977337.db2.gz ZDNLAUWNDSLFMC-LBPRGKRZSA-N 1 0 324.402 0.927 50 0 DCAARO COc1cc(C(=O)N2CCC3(CC2)C[N@H+](C)CCN3C)ccn1 ZINC000067587913 396028484 /nfs/dbraw/zinc/02/84/84/396028484.db2.gz BMJCZQSXYNVTGE-UHFFFAOYSA-N 1 0 318.421 0.942 50 0 DCAARO CN1C(=O)[C@H](Cc2nc(CC3CC[NH+](C)CC3)no2)N(C)C1=O ZINC000067714133 396031635 /nfs/dbraw/zinc/03/16/35/396031635.db2.gz MHGKKBROKYCABV-NSHDSACASA-N 1 0 321.381 0.389 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1ccccn1 ZINC000067805389 396033991 /nfs/dbraw/zinc/03/39/91/396033991.db2.gz ZCTQYRVTOQRZHM-JSGCOSHPSA-N 1 0 304.394 0.467 50 0 DCAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CC(O)C3)cnn2c1 ZINC000067881661 396037600 /nfs/dbraw/zinc/03/76/00/396037600.db2.gz ANOZWMDZOSAUCH-UHFFFAOYSA-N 1 0 303.366 0.388 50 0 DCAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCc1nncn1C1CCCCC1 ZINC000067878968 396037624 /nfs/dbraw/zinc/03/76/24/396037624.db2.gz QQYKXJBGKSHJIN-AAEUAGOBSA-N 1 0 306.414 0.431 50 0 DCAARO CN1CCCN(C(=O)c2cnccn2)CC12CC[NH+](C)CC2 ZINC000067954462 396040777 /nfs/dbraw/zinc/04/07/77/396040777.db2.gz LUMQWIOZVPRVLT-UHFFFAOYSA-N 1 0 303.410 0.719 50 0 DCAARO CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157925484 396064287 /nfs/dbraw/zinc/06/42/87/396064287.db2.gz NVNFWRXKMCCJAV-ZIAGYGMSSA-N 1 0 310.419 0.592 50 0 DCAARO CCCn1[nH]ccc1=NC(=O)CN1CCC(C[NH+](C)C)CC1 ZINC000252474807 396019879 /nfs/dbraw/zinc/01/98/79/396019879.db2.gz MRTLXMCJMLKMSX-UHFFFAOYSA-N 1 0 307.442 0.927 50 0 DCAARO Cn1cccc(C(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)c1=O ZINC000069696945 396087080 /nfs/dbraw/zinc/08/70/80/396087080.db2.gz DRPVPUBMGURQKT-CQSZACIVSA-N 1 0 321.421 0.550 50 0 DCAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1C ZINC000069744537 396089704 /nfs/dbraw/zinc/08/97/04/396089704.db2.gz GSKCWDFLEPTXFX-CQSZACIVSA-N 1 0 318.421 0.888 50 0 DCAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)C[C@H](C)O1 ZINC000069815082 396090786 /nfs/dbraw/zinc/09/07/86/396090786.db2.gz LNZZAZUYWLYDNH-ZNMIVQPWSA-N 1 0 321.425 0.626 50 0 DCAARO O[C@H](COCc1ccco1)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069849426 396092098 /nfs/dbraw/zinc/09/20/98/396092098.db2.gz NAHBSSURSLWONH-KGLIPLIRSA-N 1 0 306.366 0.913 50 0 DCAARO CSCC(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1C[NH+](C)C ZINC000169790780 396093644 /nfs/dbraw/zinc/09/36/44/396093644.db2.gz QTMKFUIHUZRJHW-HUUCEWRRSA-N 1 0 322.478 0.923 50 0 DCAARO CN(Cc1ccsc1)C(=O)C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069894522 396093951 /nfs/dbraw/zinc/09/39/51/396093951.db2.gz ZHLJVQGVOBERDU-GFCCVEGCSA-N 1 0 305.407 0.903 50 0 DCAARO O=C(Nc1ccccc1)C1([NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC000170601226 396094897 /nfs/dbraw/zinc/09/48/97/396094897.db2.gz YKIXDOXZVMXITR-UHFFFAOYSA-N 1 0 316.361 0.689 50 0 DCAARO O[C@H](C[NH2+][C@@H]1CCc2ncnn2C1)COCc1cccs1 ZINC000069928599 396095503 /nfs/dbraw/zinc/09/55/03/396095503.db2.gz BRSIPGVYOBQUHV-VXGBXAGGSA-N 1 0 308.407 0.822 50 0 DCAARO C[C@H](O)C[NH+]1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000071877166 396121344 /nfs/dbraw/zinc/12/13/44/396121344.db2.gz OERKKAULKQRDJC-UONOGXRCSA-N 1 0 314.451 0.624 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)NC1CCOCC1 ZINC000071880483 396122245 /nfs/dbraw/zinc/12/22/45/396122245.db2.gz NTHZKDRBNCSZFR-CVEARBPZSA-N 1 0 323.437 0.757 50 0 DCAARO O=C1CCCN1C[C@@H](O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172434838 396131025 /nfs/dbraw/zinc/13/10/25/396131025.db2.gz BHHWYQJIPQQDML-INIZCTEOSA-N 1 0 309.454 0.920 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]CC(=O)NCc1ccccn1)CC2 ZINC000075603621 396182603 /nfs/dbraw/zinc/18/26/03/396182603.db2.gz XGFONSYNKLTUQO-CYBMUJFWSA-N 1 0 314.393 0.456 50 0 DCAARO C[C@@]1([C@@H]2CCC[N@H+](CCOCC(F)(F)F)C2)NC(=O)NC1=O ZINC000076059163 396194763 /nfs/dbraw/zinc/19/47/63/396194763.db2.gz FOKKHPMMYJAFAV-SKDRFNHKSA-N 1 0 323.315 0.875 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2C)CC1 ZINC000076055640 396195082 /nfs/dbraw/zinc/19/50/82/396195082.db2.gz BFMDOGMBRFWSQA-HOCLYGCPSA-N 1 0 322.453 0.093 50 0 DCAARO Cc1ccc2c(c1)c(CNC[C@@]1(O)C[NH2+]CCOC1)nn2C ZINC000077342159 396219512 /nfs/dbraw/zinc/21/95/12/396219512.db2.gz ISLGEUBATAXLTG-INIZCTEOSA-N 1 0 304.394 0.322 50 0 DCAARO CC(C)[C@@H]1C=CCN1C(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077388363 396220190 /nfs/dbraw/zinc/22/01/90/396220190.db2.gz GTUGKLMERVYFOY-HNNXBMFYSA-N 1 0 318.425 0.220 50 0 DCAARO Cc1nn(CCO)cc1CN1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077406181 396221490 /nfs/dbraw/zinc/22/14/90/396221490.db2.gz TUTGKGLSAFTVOD-QGZVFWFLSA-N 1 0 322.453 0.607 50 0 DCAARO CC1CC[NH+](C[C@@H](O)Cn2ncc3ncccc3c2=O)CC1 ZINC000077416502 396222101 /nfs/dbraw/zinc/22/21/01/396222101.db2.gz YQLHMUJAHXVAQD-CYBMUJFWSA-N 1 0 302.378 0.884 50 0 DCAARO Cc1cnc(CN2C[C@]3(CCC[N@H+](CCO)C3)CCC2=O)cn1 ZINC000077471025 396222977 /nfs/dbraw/zinc/22/29/77/396222977.db2.gz QCMOKHOICYRZQP-QGZVFWFLSA-N 1 0 318.421 0.982 50 0 DCAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CCS(=O)(=O)CC1 ZINC000562265665 396653535 /nfs/dbraw/zinc/65/35/35/396653535.db2.gz CNEPRVDIVAMGFQ-CYBMUJFWSA-N 1 0 302.440 0.944 50 0 DCAARO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cncc(=O)[nH]1 ZINC000584884798 396632187 /nfs/dbraw/zinc/63/21/87/396632187.db2.gz XHHYZCQUPVNETC-UHFFFAOYSA-N 1 0 313.361 0.559 50 0 DCAARO COCCN1C[C@@H](CNC(=O)C[NH+]2CCCCCC2)CC1=O ZINC000584896295 396634478 /nfs/dbraw/zinc/63/44/78/396634478.db2.gz NMNZZJGMCJFVPX-CQSZACIVSA-N 1 0 311.426 0.474 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000584896558 396635501 /nfs/dbraw/zinc/63/55/01/396635501.db2.gz NUUVVKVHTSALHN-UHFFFAOYSA-N 1 0 317.393 0.522 50 0 DCAARO CC(=O)Nc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000584898255 396635785 /nfs/dbraw/zinc/63/57/85/396635785.db2.gz XGBURKFTFOOXNK-JSGCOSHPSA-N 1 0 307.350 0.098 50 0 DCAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000593876105 397465309 /nfs/dbraw/zinc/46/53/09/397465309.db2.gz VBNKSQSPUAMGAO-TUAOUCFPSA-N 1 0 310.398 0.354 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000606441128 397680917 /nfs/dbraw/zinc/68/09/17/397680917.db2.gz HCJJSIHXMUHQQI-KMSCOEIWSA-N 1 0 309.391 0.168 50 0 DCAARO Cc1ccc2c(n[nH]c2NC(=O)C(=O)NCCC[NH+](C)C)n1 ZINC000013735803 292304298 /nfs/dbraw/zinc/30/42/98/292304298.db2.gz MACUZUFTJWUTDA-UHFFFAOYSA-N 1 0 304.354 0.273 50 0 DCAARO CCc1nnc2ccc(N3CC[N@H+](CCOC)[C@@H](C)C3)nn21 ZINC000246246177 287079935 /nfs/dbraw/zinc/07/99/35/287079935.db2.gz SDQSGUSICWPFJU-LBPRGKRZSA-N 1 0 304.398 0.844 50 0 DCAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)CC)CC2)n1 ZINC000009620890 415145379 /nfs/dbraw/zinc/14/53/79/415145379.db2.gz ADQWXHOSFAZXIT-UHFFFAOYSA-N 1 0 313.427 0.689 50 0 DCAARO Cc1cc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)n(C)n1 ZINC000043434045 415214959 /nfs/dbraw/zinc/21/49/59/415214959.db2.gz JKTGOYYATRHZFR-UHFFFAOYSA-N 1 0 308.430 0.876 50 0 DCAARO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000269263530 415249776 /nfs/dbraw/zinc/24/97/76/415249776.db2.gz SKCALJRYXJQSLG-YHUYYLMFSA-N 1 0 304.390 0.993 50 0 DCAARO CC[C@H](CNC(=O)Cn1cnnn1)[N@@H+]1CCc2ccccc2C1 ZINC000046246600 415259767 /nfs/dbraw/zinc/25/97/67/415259767.db2.gz YPWLPXWDRUQHHO-OAHLLOKOSA-N 1 0 314.393 0.626 50 0 DCAARO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000332132193 415261438 /nfs/dbraw/zinc/26/14/38/415261438.db2.gz JVBMQRFEQWDQEO-INIZCTEOSA-N 1 0 324.446 0.910 50 0 DCAARO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000047614684 415272639 /nfs/dbraw/zinc/27/26/39/415272639.db2.gz YXLVIECQTSAREQ-CQSZACIVSA-N 1 0 318.421 0.888 50 0 DCAARO NC(=O)NCCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000044870646 415228127 /nfs/dbraw/zinc/22/81/27/415228127.db2.gz MTXBZMNJTSXDGL-GFCCVEGCSA-N 1 0 308.382 0.981 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1nnc2ccccc2c1=O ZINC000044890063 415228977 /nfs/dbraw/zinc/22/89/77/415228977.db2.gz PBOHKEGZDNJHSY-LBPRGKRZSA-N 1 0 315.377 0.392 50 0 DCAARO CNC(=O)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC000044907897 415230148 /nfs/dbraw/zinc/23/01/48/415230148.db2.gz ZFBHULSQNNDFRS-CQSZACIVSA-N 1 0 304.394 0.742 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(C)nn1CC ZINC000067433186 415375214 /nfs/dbraw/zinc/37/52/14/415375214.db2.gz SDCKOOKPRFVDET-OLZOCXBDSA-N 1 0 321.425 0.622 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1c(C)nc2sccn21 ZINC000067725912 415386117 /nfs/dbraw/zinc/38/61/17/415386117.db2.gz LVQPSORLCLQXDV-ZJUUUORDSA-N 1 0 321.406 0.382 50 0 DCAARO COc1cccc(-c2n[nH]cc2C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000067723911 415386327 /nfs/dbraw/zinc/38/63/27/415386327.db2.gz GLBXWIHYQMTWDZ-CYBMUJFWSA-N 1 0 316.361 0.885 50 0 DCAARO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(CO)CO)C2)cc1 ZINC000067834360 415386533 /nfs/dbraw/zinc/38/65/33/415386533.db2.gz RKGVEUNBIXINBK-CYBMUJFWSA-N 1 0 307.394 0.792 50 0 DCAARO CCc1ncc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)cn1 ZINC000095356550 415554795 /nfs/dbraw/zinc/55/47/95/415554795.db2.gz QXXCQFKNQGORQO-INIZCTEOSA-N 1 0 306.410 0.958 50 0 DCAARO CC[C@@H]1CN(CC(=O)NCc2ccccn2)CC[N@@H+]1C[C@H](C)O ZINC000106929224 415657867 /nfs/dbraw/zinc/65/78/67/415657867.db2.gz YJUXBNNVRDQYIJ-GOEBONIOSA-N 1 0 320.437 0.475 50 0 DCAARO CCNC(=O)c1cccc(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000299758771 416064270 /nfs/dbraw/zinc/06/42/70/416064270.db2.gz PHHDVYVPLWXTCA-KBPBESRZSA-N 1 0 320.393 0.575 50 0 DCAARO Cc1cc(=O)c(C(=O)NC2CCN(CC[NH+](C)C)CC2)cn1C ZINC000299759026 416064696 /nfs/dbraw/zinc/06/46/96/416064696.db2.gz MWIQGZSAGUTONO-UHFFFAOYSA-N 1 0 320.437 0.450 50 0 DCAARO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cccc3n[nH]nc32)C[C@H]1O ZINC000299778402 416067595 /nfs/dbraw/zinc/06/75/95/416067595.db2.gz PNVSQXNPKFEFGL-GXFFZTMASA-N 1 0 318.381 0.734 50 0 DCAARO COCCN1C[C@H](C[NH+]2CCN(c3cccnc3)CC2)CC1=O ZINC000299788155 416068945 /nfs/dbraw/zinc/06/89/45/416068945.db2.gz RXQAUZHGCLHUAI-HNNXBMFYSA-N 1 0 318.421 0.699 50 0 DCAARO COCC[N@@H+]1CC[C@H](CN(C)C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000299794958 416069415 /nfs/dbraw/zinc/06/94/15/416069415.db2.gz KGWNTWCOTGGLAT-CQSZACIVSA-N 1 0 308.426 0.996 50 0 DCAARO Cc1n[nH]cc1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000298662824 416021510 /nfs/dbraw/zinc/02/15/10/416021510.db2.gz CZFJVLAVNPVDOX-UHFFFAOYSA-N 1 0 321.425 0.972 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCCO2)CC1=O ZINC000189543746 416267170 /nfs/dbraw/zinc/26/71/70/416267170.db2.gz GFTQCWCADGIKDP-ZIAGYGMSSA-N 1 0 309.410 0.873 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN(CC(=O)N(C)Cc2ccco2)C[C@H]1C ZINC000247058627 416332662 /nfs/dbraw/zinc/33/26/62/416332662.db2.gz FUTGUFYFYRNJHP-KGLIPLIRSA-N 1 0 309.410 0.625 50 0 DCAARO Cc1ccc(NCCCNC(=O)CN2CC[C@H]([NH+](C)C)C2)nc1 ZINC000243901467 416330425 /nfs/dbraw/zinc/33/04/25/416330425.db2.gz BBSPOXOVAVCLJQ-HNNXBMFYSA-N 1 0 319.453 0.944 50 0 DCAARO COCCn1cnnc1CNC(=O)C[NH+]1CCCCCCC1 ZINC000244748745 416330894 /nfs/dbraw/zinc/33/08/94/416330894.db2.gz ONKVHQHWNOWDNC-UHFFFAOYSA-N 1 0 309.414 0.807 50 0 DCAARO Cc1nc(CCN(C)C(=O)CC[C@@H](C)[NH+]2CCOCC2)no1 ZINC000244691008 416330933 /nfs/dbraw/zinc/33/09/33/416330933.db2.gz JAYXFITZFXQWCG-GFCCVEGCSA-N 1 0 310.398 0.880 50 0 DCAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCn1cnnn1 ZINC000583652716 416482584 /nfs/dbraw/zinc/48/25/84/416482584.db2.gz SCMKJFYOBCIIAO-KGLIPLIRSA-N 1 0 306.414 0.786 50 0 biogenic DCAARO COc1cc(NCC2(C[NH+]3CCN(C)CC3)CC2)nc(N)n1 ZINC000534589483 416507067 /nfs/dbraw/zinc/50/70/67/416507067.db2.gz VAPVEOVSNPZBJE-UHFFFAOYSA-N 1 0 306.414 0.507 50 0 DCAARO Nc1ncc(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)s1 ZINC000584888941 416515424 /nfs/dbraw/zinc/51/54/24/416515424.db2.gz WDBBQEOFBKFKKV-UHFFFAOYSA-N 1 0 310.423 0.788 50 0 DCAARO CN1CCN(C(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)CC1 ZINC000575605409 417539564 /nfs/dbraw/zinc/53/95/64/417539564.db2.gz PCCRVZYANFUVSK-CYBMUJFWSA-N 1 0 323.372 0.826 50 0 DCAARO CCOCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652383600 417896524 /nfs/dbraw/zinc/89/65/24/417896524.db2.gz AMHZHEOIFIZQOB-MJBXVCDLSA-N 1 0 320.455 0.714 50 0 DCAARO CC(C)c1nncn1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653121529 418032913 /nfs/dbraw/zinc/03/29/13/418032913.db2.gz XTNJGMFQLCBGBP-NXEZZACHSA-N 1 0 319.331 0.916 50 0 DCAARO C[NH+](C)[C@H]1CN(S(=O)(=O)c2c(F)cccc2F)C[C@@H]1O ZINC000647886040 418069982 /nfs/dbraw/zinc/06/99/82/418069982.db2.gz BBIFFWDPMNUGBY-QWRGUYRKSA-N 1 0 306.334 0.260 50 0 DCAARO CC[NH+](CC)CCNC(=O)c1cccnc1N1CCOCC1 ZINC000055104511 276327291 /nfs/dbraw/zinc/32/72/91/276327291.db2.gz KMRZEAKGVJMZBL-UHFFFAOYSA-N 1 0 306.410 0.990 50 0 DCAARO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccnn3CC(F)F)[C@H]2C1 ZINC000285645314 277152728 /nfs/dbraw/zinc/15/27/28/277152728.db2.gz FPOHVOXPVDCJRJ-RYUDHWBXSA-N 1 0 314.336 0.693 50 0 DCAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000237493411 278227809 /nfs/dbraw/zinc/22/78/09/278227809.db2.gz OYBMTXYIANBUPM-QJPTWQEYSA-N 1 0 305.382 0.348 50 0 DCAARO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCOC[C@@H]2C)CC1 ZINC000096444049 279360565 /nfs/dbraw/zinc/36/05/65/279360565.db2.gz HDDHGXNHLLGRDY-CABCVRRESA-N 1 0 312.458 0.690 50 0 DCAARO C[C@H]1CCCN(S(=O)(=O)c2ncn(C)c2Cl)[C@@H]1C[NH3+] ZINC000237510597 279671770 /nfs/dbraw/zinc/67/17/70/279671770.db2.gz UQUCBPAWCDQQJA-DTWKUNHWSA-N 1 0 306.819 0.821 50 0 DCAARO CC[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)[NH+]1CCCC1 ZINC000042498733 280143336 /nfs/dbraw/zinc/14/33/36/280143336.db2.gz KLGZDRAHYTZPDB-STQMWFEESA-N 1 0 317.455 0.401 50 0 DCAARO Cc1nc2c(c(NCCN3CCNC3=O)n1)CC[N@H+](C)CC2 ZINC000065374137 282013001 /nfs/dbraw/zinc/01/30/01/282013001.db2.gz XIPBLSQLMLAKEW-UHFFFAOYSA-N 1 0 304.398 0.253 50 0 DCAARO C[NH+](C)C1CN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C1 ZINC000241338697 289071505 /nfs/dbraw/zinc/07/15/05/289071505.db2.gz MDBQERPSPUQYSY-CABCVRRESA-N 1 0 321.421 0.200 50 0 DCAARO Cc1cccc([C@H](CNC(=O)CNC(=O)N(C)C)[NH+](C)C)c1 ZINC000534580451 334288868 /nfs/dbraw/zinc/28/88/68/334288868.db2.gz VSWTXWOSIPLCAH-AWEZNQCLSA-N 1 0 306.410 0.985 50 0 DCAARO Cc1ccnn1CCC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000534579715 334289023 /nfs/dbraw/zinc/28/90/23/334289023.db2.gz DCJVDACOMOSREZ-GJZGRUSLSA-N 1 0 306.410 0.951 50 0 DCAARO Cc1ccccc1[C@H](CNC(=O)CNC(=O)N(C)C)[NH+](C)C ZINC000534646681 334306770 /nfs/dbraw/zinc/30/67/70/334306770.db2.gz XICZGJWOERHKEW-AWEZNQCLSA-N 1 0 306.410 0.985 50 0 DCAARO COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000158228630 526072016 /nfs/dbraw/zinc/07/20/16/526072016.db2.gz WDOCGVSFWBIZQZ-GOEBONIOSA-N 1 0 319.405 0.692 50 0 DCAARO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000084325929 545699885 /nfs/dbraw/zinc/69/98/85/545699885.db2.gz QRINROYLFLZYHN-ZDUSSCGKSA-N 1 0 307.442 0.970 50 0 DCAARO C[NH+](C)C[C@]1(O)CCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000215713596 545937476 /nfs/dbraw/zinc/93/74/76/545937476.db2.gz IPZVZHVJXLCUCS-MRXNPFEDSA-N 1 0 301.394 0.766 50 0 DCAARO C[NH2+]CCNC(=O)c1ccc2c(c1)nc(NCCOC)n2C ZINC000218792375 545940167 /nfs/dbraw/zinc/94/01/67/545940167.db2.gz JTWOVZBGEMLZTH-UHFFFAOYSA-N 1 0 305.382 0.581 50 0 DCAARO CCNC(=O)[C@@H]1CCN(c2cc(C)[nH+]c(N3CCOCC3)n2)C1 ZINC000670453210 547096627 /nfs/dbraw/zinc/09/66/27/547096627.db2.gz DDWRFJSDSMHOEB-CYBMUJFWSA-N 1 0 319.409 0.584 50 0 DCAARO CN1C[C@@H](CNC(=O)CCC[NH+]2CCCCCC2)OCC1=O ZINC000670472679 547101935 /nfs/dbraw/zinc/10/19/35/547101935.db2.gz VEWQLPDJVKHZPZ-CQSZACIVSA-N 1 0 311.426 0.616 50 0 DCAARO O[C@H](C[NH2+]CCc1ccccc1)COCCC[NH+]1CCOCC1 ZINC000005092974 660910916 /nfs/dbraw/zinc/91/09/16/660910916.db2.gz BPUNQXFFARECOO-GOSISDBHSA-N 1 0 322.449 0.919 50 0 DCAARO CO[C@H]1COC[C@H]1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000888096351 661173769 /nfs/dbraw/zinc/17/37/69/661173769.db2.gz BYVPKMSMZJHFAS-UONOGXRCSA-N 1 0 314.407 0.191 50 0 DCAARO Cn1ccn2ncc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCCC3)c12 ZINC000426380409 661561210 /nfs/dbraw/zinc/56/12/10/661561210.db2.gz MITJXCATJFAGBY-KBPBESRZSA-N 1 0 317.393 0.656 50 0 DCAARO Cc1ncc(CO)c(CNCCC[N@@H+]2CCCC[C@H]2CO)c1O ZINC000952976155 685601258 /nfs/dbraw/zinc/60/12/58/685601258.db2.gz QGANRSHMJMAFMD-HNNXBMFYSA-N 1 0 323.437 0.914 50 0 DCAARO C[C@H](CS(=O)(=O)N(C)C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000952992393 685602849 /nfs/dbraw/zinc/60/28/49/685602849.db2.gz LWESNQXLFVAQFX-PWSUYJOCSA-N 1 0 300.428 0.667 50 0 DCAARO O=C(Cn1ncnn1)N[C@H]1C[N@@H+](C2CCCC2)C[C@@H]1C1CC1 ZINC000091713033 685105133 /nfs/dbraw/zinc/10/51/33/685105133.db2.gz AHJIHJBVYPBPHO-KGLIPLIRSA-N 1 0 304.398 0.442 50 0 DCAARO CN(C)c1nc(N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)ncc1F ZINC001772700662 1157840388 /nfs/dbraw/zinc/84/03/88/1157840388.db2.gz FXFMIDSGOTUREU-STQMWFEESA-N 1 0 309.389 0.717 50 0 DCAARO C[N@@H+]1C[C@H]2COC[C@@H]1CN(c1cc(NC3CC3)nc(N)n1)C2 ZINC001704335623 1179977220 /nfs/dbraw/zinc/97/72/20/1179977220.db2.gz CYFZTUVAILCZBF-PWSUYJOCSA-N 1 0 304.398 0.400 50 0 DCAARO C[N@@H+]1CCC[C@]2(CO)CCN(C(=O)c3cccc(N)n3)C[C@@H]12 ZINC001704336196 1179977821 /nfs/dbraw/zinc/97/78/21/1179977821.db2.gz GOVYKGIWOUCEKT-CZUORRHYSA-N 1 0 304.394 0.583 50 0 DCAARO CCC[N@@H+]1CCC[C@H](CNS(=O)(=O)N2CCN(C)CC2)C1 ZINC000822922718 758213518 /nfs/dbraw/zinc/21/35/18/758213518.db2.gz LVPCGJLTVYYVMT-CQSZACIVSA-N 1 0 318.487 0.190 50 0 DCAARO CNC(=O)c1ccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000823833574 758280093 /nfs/dbraw/zinc/28/00/93/758280093.db2.gz VQQUMJBFLMGKRX-INIZCTEOSA-N 1 0 320.393 0.924 50 0 DCAARO NC(=O)CCC1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000826835072 758848717 /nfs/dbraw/zinc/84/87/17/758848717.db2.gz NWDRVFSHKPGJRA-CYBMUJFWSA-N 1 0 302.440 0.789 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)CCC1=NNC(=O)CC1 ZINC000827816309 758886475 /nfs/dbraw/zinc/88/64/75/758886475.db2.gz ZSSXCOYYJSEOSL-UHFFFAOYSA-N 1 0 303.366 0.386 50 0 DCAARO O=S(=O)(N1CCCC1)N1CCC[N@@H+]([C@H]2CCOC2)CC1 ZINC000828388514 759002155 /nfs/dbraw/zinc/00/21/55/759002155.db2.gz GPJISRDFLJPCQI-ZDUSSCGKSA-N 1 0 303.428 0.124 50 0 DCAARO C[NH2+]CC1CCN(S(=O)(=O)N2CCC[C@H]2COC)CC1 ZINC000696581681 765468346 /nfs/dbraw/zinc/46/83/46/765468346.db2.gz DQKXOGWARPSGOW-ZDUSSCGKSA-N 1 0 305.444 0.273 50 0 DCAARO CN(C)C(=O)CN1CCC[N@@H+](C2CSCCSC2)CC1 ZINC000952869143 768925211 /nfs/dbraw/zinc/92/52/11/768925211.db2.gz DKTMSTIRNKPMRN-UHFFFAOYSA-N 1 0 317.524 0.931 50 0 DCAARO Cn1ncc2c1nc(NCCCCC[NH+]1CCOCC1)nc2N ZINC001529106906 1014497051 /nfs/dbraw/zinc/49/70/51/1014497051.db2.gz TXQGMYVDTZZQMY-UHFFFAOYSA-N 1 0 319.413 0.860 50 0 DCAARO Cn1ccnc1-c1ccc(N2CC[N@H+](C)[C@@H](CCO)C2)nn1 ZINC001506397395 1017252455 /nfs/dbraw/zinc/25/24/55/1017252455.db2.gz SGUWKNLRLOYTEH-LBPRGKRZSA-N 1 0 302.382 0.380 50 0 DCAARO Cc1nn(C)cc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC001506418681 1017262682 /nfs/dbraw/zinc/26/26/82/1017262682.db2.gz MYWFYDULSWSQAS-UHFFFAOYSA-N 1 0 314.393 0.884 50 0 DCAARO CN1C(=O)N=NC1CC[NH2+]C1CCN(Cc2ccco2)CC1 ZINC001506419343 1017267061 /nfs/dbraw/zinc/26/70/61/1017267061.db2.gz AOIBCHRNTFIIDW-UHFFFAOYSA-N 1 0 305.382 0.910 50 0 DCAARO Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000095519130 185377258 /nfs/dbraw/zinc/37/72/58/185377258.db2.gz PDUDFRHLTHDKFL-CQSZACIVSA-N 1 0 318.421 0.725 50 0 DCAARO CCCCNC(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000089954744 185271835 /nfs/dbraw/zinc/27/18/35/185271835.db2.gz QHVWECKEVFKBEH-AWEZNQCLSA-N 1 0 310.442 0.317 50 0 DCAARO Cc1cc(=O)n(CC(=O)N2CCCC[C@H]([NH+](C)C)C2)nc1C ZINC000082127595 192358802 /nfs/dbraw/zinc/35/88/02/192358802.db2.gz WCNLXHVJMFOPLQ-AWEZNQCLSA-N 1 0 306.410 0.803 50 0 DCAARO CC(C)[N@H+](CCNC(=O)NCCc1nnc2n1CCC2)C1CC1 ZINC000095409936 185356946 /nfs/dbraw/zinc/35/69/46/185356946.db2.gz VBKQFSDGHZDWBY-UHFFFAOYSA-N 1 0 320.441 0.939 50 0 DCAARO CCc1nnc2n1CCN(C[C@@H](O)C[NH+]1CCC(C)CC1)C2 ZINC000069773617 190814618 /nfs/dbraw/zinc/81/46/18/190814618.db2.gz MDCONTDHGQSOFB-AWEZNQCLSA-N 1 0 307.442 0.749 50 0 DCAARO CN(CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)c1cnccn1 ZINC000069840737 190825830 /nfs/dbraw/zinc/82/58/30/190825830.db2.gz YZZUHGVMQYBOAY-KBPBESRZSA-N 1 0 303.410 0.998 50 0 DCAARO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000084005393 192394829 /nfs/dbraw/zinc/39/48/29/192394829.db2.gz PLEXMSLXDNICGB-ZWNOBZJWSA-N 1 0 317.393 0.282 50 0 DCAARO O=C([O-])C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071753619 191023336 /nfs/dbraw/zinc/02/33/36/191023336.db2.gz HMUQJQZMWIOTET-GFCCVEGCSA-N 1 0 309.410 0.526 50 0 DCAARO O=C(CCc1cn2ccccc2n1)NC[C@]1(O)CCC[NH2+]CC1 ZINC000072134439 191046701 /nfs/dbraw/zinc/04/67/01/191046701.db2.gz MDZVOXKUDPTEQL-KRWDZBQOSA-N 1 0 316.405 0.888 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCC(Nc2ccccn2)CC1 ZINC000072161580 191061860 /nfs/dbraw/zinc/06/18/60/191061860.db2.gz RXSNAKUBBWWWKQ-CQSZACIVSA-N 1 0 304.394 0.863 50 0 DCAARO Cc1cccn2c(CC(=O)N3CC[C@](O)(C[NH+](C)C)C3)cnc12 ZINC000072145665 191051452 /nfs/dbraw/zinc/05/14/52/191051452.db2.gz PAHKGBCVRNQRIM-KRWDZBQOSA-N 1 0 316.405 0.710 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)Nc1cccc(N2CCOC2=O)c1 ZINC000072152310 191057012 /nfs/dbraw/zinc/05/70/12/191057012.db2.gz WOAFPVPUXXMMII-GFCCVEGCSA-N 1 0 305.334 0.960 50 0 DCAARO NC(=O)N1CCN(C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)CC1 ZINC000072174090 191070146 /nfs/dbraw/zinc/07/01/46/191070146.db2.gz UUSOJHWGYJEUMW-GFCCVEGCSA-N 1 0 302.378 0.600 50 0 DCAARO CN1CCO[C@@H](C[NH2+]CC(=O)NCCc2ccc(F)cc2)C1 ZINC000072267989 191090579 /nfs/dbraw/zinc/09/05/79/191090579.db2.gz UMWCHYORWJMFKG-HNNXBMFYSA-N 1 0 309.385 0.405 50 0 DCAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000072282373 191102389 /nfs/dbraw/zinc/10/23/89/191102389.db2.gz CXARFAHOHLXJRA-DGCLKSJQSA-N 1 0 323.418 0.643 50 0 DCAARO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000225671272 186288262 /nfs/dbraw/zinc/28/82/62/186288262.db2.gz QYJAOJYZANTWEG-UPJWGTAASA-N 1 0 308.444 0.222 50 0 DCAARO O[C@@]1(CNCc2csc(-c3ncccn3)n2)CCC[NH2+]C1 ZINC000072411934 191155407 /nfs/dbraw/zinc/15/54/07/191155407.db2.gz GAYXNTYJAINQPG-AWEZNQCLSA-N 1 0 305.407 0.804 50 0 DCAARO CCOCc1nc2c(c(NC[C@@H]3COCCO3)n1)CC[NH2+]CC2 ZINC000072463690 191174150 /nfs/dbraw/zinc/17/41/50/191174150.db2.gz OYWLVTVANWRBOI-GFCCVEGCSA-N 1 0 322.409 0.529 50 0 DCAARO CCOC[C@H](O)CNc1nc(C2CC2)nc2c1CC[NH2+]CC2 ZINC000072474514 191177280 /nfs/dbraw/zinc/17/72/80/191177280.db2.gz LJXBKGJQMUWLST-GFCCVEGCSA-N 1 0 306.410 0.852 50 0 DCAARO Cc1nc([C@@H]2CCC[N@H+](CCO)C2)cc(N2CCOCC2)n1 ZINC000072473882 191177958 /nfs/dbraw/zinc/17/79/58/191177958.db2.gz DJZOGSWGSXVNOD-CQSZACIVSA-N 1 0 306.410 0.793 50 0 DCAARO COCC[N@H+](C)[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@@H]1O ZINC000072476205 191178470 /nfs/dbraw/zinc/17/84/70/191178470.db2.gz UTUNVTLGWJNXJC-GJZGRUSLSA-N 1 0 320.389 0.385 50 0 DCAARO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237048301 202134992 /nfs/dbraw/zinc/13/49/92/202134992.db2.gz XSSHLAXIUWTWOQ-WCQYABFASA-N 1 0 315.381 0.412 50 0 DCAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cn2)n1 ZINC000237702398 202331330 /nfs/dbraw/zinc/33/13/30/202331330.db2.gz KGEDVKJAODJVEA-STQMWFEESA-N 1 0 301.350 0.545 50 0 DCAARO O=C([C@@H]1C[NH2+]CCO1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000237819137 202362384 /nfs/dbraw/zinc/36/23/84/202362384.db2.gz IPVUPODFOALAQS-AWEZNQCLSA-N 1 0 311.332 0.602 50 0 DCAARO Nc1nc(NCCCN2CCCC2=O)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244701248 283690032 /nfs/dbraw/zinc/69/00/32/283690032.db2.gz KCVMNKSAFTYBOC-PHIMTYICSA-N 1 0 304.398 0.688 50 0 DCAARO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH3+])cc1Cl ZINC000195298285 201375249 /nfs/dbraw/zinc/37/52/49/201375249.db2.gz JGOGKWIUHTVSHZ-ZETCQYMHSA-N 1 0 306.771 0.752 50 0 DCAARO CC[C@H](C(=O)N1CC23CN(C)CC2(C1)C[NH+](C)C3)n1cccn1 ZINC000091364722 193046712 /nfs/dbraw/zinc/04/67/12/193046712.db2.gz NUKKVPGFPHLYIJ-ODIFPOPNSA-N 1 0 317.437 0.540 50 0 DCAARO Cc1c[nH]c(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)c1 ZINC000091486898 193062913 /nfs/dbraw/zinc/06/29/13/193062913.db2.gz CRAAXGLEHDNLOJ-INIZCTEOSA-N 1 0 304.394 0.750 50 0 DCAARO CNc1ccnc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000092021981 193143714 /nfs/dbraw/zinc/14/37/14/193143714.db2.gz FWELUVNARCGDGQ-INIZCTEOSA-N 1 0 318.425 0.651 50 0 DCAARO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc(C)n1 ZINC000216522815 201495232 /nfs/dbraw/zinc/49/52/32/201495232.db2.gz NDCVSWZFSIXXEH-CYBMUJFWSA-N 1 0 304.394 0.626 50 0 DCAARO Cc1cncc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])c1 ZINC000092099214 193157948 /nfs/dbraw/zinc/15/79/48/193157948.db2.gz CCBQCECBHLEMAQ-CABCVRRESA-N 1 0 319.405 0.721 50 0 DCAARO COC(=O)c1cn([C@H]2C[NH+]3CCC2CC3)cc2c(=O)[nH]nc1-2 ZINC000263588645 203487404 /nfs/dbraw/zinc/48/74/04/203487404.db2.gz WNKYKUXEPLCLNX-LBPRGKRZSA-N 1 0 302.334 0.730 50 0 DCAARO CC[NH+]1CCN(C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019790781 182149414 /nfs/dbraw/zinc/14/94/14/182149414.db2.gz SGZVHJPSMOCNHN-OAHLLOKOSA-N 1 0 322.405 0.930 50 0 DCAARO CC[NH+](CC)CCNC(=O)c1c(O)nc2c(C)cccn2c1=O ZINC000020356041 182211110 /nfs/dbraw/zinc/21/11/10/182211110.db2.gz UXKJDRJMQWOJBC-UHFFFAOYSA-N 1 0 318.377 0.780 50 0 DCAARO COc1ccc(OC)c(NC(=O)C[NH2+]CCN2CCOCC2)c1 ZINC000022030369 182305751 /nfs/dbraw/zinc/30/57/51/182305751.db2.gz WLMOLEFRZUEQGV-UHFFFAOYSA-N 1 0 323.393 0.564 50 0 DCAARO O=c1cc(CN2CC[NH+](CCO)CC2)c2cc(O)ccc2o1 ZINC000022933395 182342162 /nfs/dbraw/zinc/34/21/62/182342162.db2.gz ZROXUPQLPJRIJL-UHFFFAOYSA-N 1 0 304.346 0.609 50 0 DCAARO Cc1ccc(SCC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000023624164 182364754 /nfs/dbraw/zinc/36/47/54/182364754.db2.gz PRJIALPVMFQWQR-CHWSQXEVSA-N 1 0 301.433 0.835 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC[C@@H](O)CC1 ZINC000244724741 284532234 /nfs/dbraw/zinc/53/22/34/284532234.db2.gz MZUPPGPUHWFSIH-MQYQWHSLSA-N 1 0 311.426 0.334 50 0 DCAARO Cc1cc(C(=O)NCC(C)(C)[NH+](C)C)c2c(=O)[nH]n(C)c2n1 ZINC000042017608 183229411 /nfs/dbraw/zinc/22/94/11/183229411.db2.gz PBQVPFLWGKNSJI-UHFFFAOYSA-N 1 0 305.382 0.640 50 0 DCAARO CCOC(=O)c1n[nH]cc1CN1CC[N@H+](C(C)C)[C@H](CCO)C1 ZINC000043135927 183340653 /nfs/dbraw/zinc/34/06/53/183340653.db2.gz KVAZWQGGFTTWED-CQSZACIVSA-N 1 0 324.425 0.863 50 0 DCAARO O[C@@H](Cn1cccn1)CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000058379211 184110507 /nfs/dbraw/zinc/11/05/07/184110507.db2.gz WWBRNCNPONQIDQ-CVEARBPZSA-N 1 0 308.426 0.431 50 0 DCAARO CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000058265251 184095764 /nfs/dbraw/zinc/09/57/64/184095764.db2.gz ZHYNDBYEYMIAGL-ZDUSSCGKSA-N 1 0 317.455 0.259 50 0 DCAARO CCn1c(CC2CC[NH2+]CC2)nn(CCCn2cccn2)c1=O ZINC000065371089 184329958 /nfs/dbraw/zinc/32/99/58/184329958.db2.gz NHGVDHVHWRRGGB-UHFFFAOYSA-N 1 0 318.425 0.894 50 0 DCAARO CCn1cnnc1CC[NH2+]CC(=O)Nc1nc2ccccc2[nH]1 ZINC000065396864 184335975 /nfs/dbraw/zinc/33/59/75/184335975.db2.gz PACAJHUBDHRVDB-UHFFFAOYSA-N 1 0 313.365 0.945 50 0 DCAARO CCOC(=O)N1CCn2nc(C(=O)NCC[NH+](C)C)cc2C1 ZINC000065533694 184361712 /nfs/dbraw/zinc/36/17/12/184361712.db2.gz RCRAUGSBZOUHFY-UHFFFAOYSA-N 1 0 309.370 0.147 50 0 DCAARO CCc1nccc(C[NH+]2CCC3(CC2)N=C(N(C)C)NC3=O)n1 ZINC000216487019 257273743 /nfs/dbraw/zinc/27/37/43/257273743.db2.gz YUOYSCHMXNTCQU-UHFFFAOYSA-N 1 0 316.409 0.421 50 0 DCAARO O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(c2nc[nH]n2)CC1 ZINC000426707166 257243527 /nfs/dbraw/zinc/24/35/27/257243527.db2.gz IFKRSIMBOOLKLN-ZIAGYGMSSA-N 1 0 318.425 0.718 50 0 DCAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCCc1ncc[nH]1 ZINC000426531075 257247991 /nfs/dbraw/zinc/24/79/91/257247991.db2.gz XEBIUVGLTUBBSH-CYBMUJFWSA-N 1 0 316.409 0.822 50 0 DCAARO CC(C)[C@H](CNS(=O)(=O)N(C)C(C)C)N1CC[NH+](C)CC1 ZINC000071850369 184868368 /nfs/dbraw/zinc/86/83/68/184868368.db2.gz XYEJNIZVNHMOTN-AWEZNQCLSA-N 1 0 320.503 0.433 50 0 DCAARO CC(C)CCS(=O)(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000071914081 184903338 /nfs/dbraw/zinc/90/33/38/184903338.db2.gz YRUREJUOFCNSOA-UHFFFAOYSA-N 1 0 305.488 0.932 50 0 DCAARO COCc1nnc(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)o1 ZINC000071738583 285516522 /nfs/dbraw/zinc/51/65/22/285516522.db2.gz XSOUZPHCLNOXCX-UHFFFAOYSA-N 1 0 324.381 0.279 50 0 DCAARO COCCOC[C@@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002147885 395681407 /nfs/dbraw/zinc/68/14/07/395681407.db2.gz JRIGTVRHELNNNO-ZNMIVQPWSA-N 1 0 322.405 0.291 50 0 biogenic DCAARO CC1CC[NH+](C[C@H](O)CNC(=O)c2ncncc2Cl)CC1 ZINC000085524009 395701656 /nfs/dbraw/zinc/70/16/56/395701656.db2.gz YSGXNLABMJGKQK-LLVKDONJSA-N 1 0 312.801 0.953 50 0 DCAARO CCC[NH+]1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000032501777 395710955 /nfs/dbraw/zinc/71/09/55/395710955.db2.gz SGWBPKGLEFQXLD-UHFFFAOYSA-N 1 0 314.393 0.759 50 0 DCAARO CCc1cc(N2CCC[C@@H](C(N)=O)C2)nc(N2CCOCC2)[nH+]1 ZINC000032581974 395711629 /nfs/dbraw/zinc/71/16/29/395711629.db2.gz GCSQTTHQXTZISD-GFCCVEGCSA-N 1 0 319.409 0.577 50 0 DCAARO CC(=O)c1ccc(N2CC[C@@H](C(=O)NCC[NH+](C)C)C2=O)cc1 ZINC000034695917 395718049 /nfs/dbraw/zinc/71/80/49/395718049.db2.gz OBMSGSIVRIOJIN-HNNXBMFYSA-N 1 0 317.389 0.920 50 0 DCAARO CCN1C(=O)N[C@](C)([C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)C1=O ZINC000095402594 395740271 /nfs/dbraw/zinc/74/02/71/395740271.db2.gz JYWZEECPYZPRSG-BDJLRTHQSA-N 1 0 322.409 0.307 50 0 DCAARO CC(C)OCC[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000040488139 395734288 /nfs/dbraw/zinc/73/42/88/395734288.db2.gz FLEDYYXXWLOWDG-UHFFFAOYSA-N 1 0 304.398 0.910 50 0 DCAARO O=C(NCC[NH+]1CCCC1)c1cccnc1N1CCOCC1 ZINC000041998002 395741098 /nfs/dbraw/zinc/74/10/98/395741098.db2.gz OLRXULVALNULLU-UHFFFAOYSA-N 1 0 304.394 0.744 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2cc[nH]c2)C[C@H](C)O1 ZINC000096454138 395753814 /nfs/dbraw/zinc/75/38/14/395753814.db2.gz VFVIVKGEYUUTHM-TXEJJXNPSA-N 1 0 301.412 0.543 50 0 DCAARO O=C(Cc1cc[nH]n1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000097081931 395755170 /nfs/dbraw/zinc/75/51/70/395755170.db2.gz ORGCGZRHJXMOOC-INIZCTEOSA-N 1 0 314.389 0.835 50 0 DCAARO CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000097234973 395756445 /nfs/dbraw/zinc/75/64/45/395756445.db2.gz MUTOYMJCMYPOJA-UHFFFAOYSA-N 1 0 300.428 0.529 50 0 DCAARO CC(=O)N1CCN([C@H]2CN(Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000107058246 395784266 /nfs/dbraw/zinc/78/42/66/395784266.db2.gz DOSFRJLIXYJCDD-RISCZKNCSA-N 1 0 307.398 0.362 50 0 DCAARO COc1ccc(OC)c([C@H](O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000106908534 395784934 /nfs/dbraw/zinc/78/49/34/395784934.db2.gz SRNZWVTUUUPJRX-GDBMZVCRSA-N 1 0 324.421 1.000 50 0 DCAARO COCC[NH+]1CCC2(CC1)CC[N@H+](CCC(=O)[O-])C[C@H]2CO ZINC000097797722 395760941 /nfs/dbraw/zinc/76/09/41/395760941.db2.gz HQYQYCHZQBWIHJ-AWEZNQCLSA-N 1 0 314.426 0.504 50 0 DCAARO CCOCC(=O)N1CC[N@H+](CCc2ccccc2)C[C@H](O)C1 ZINC000097772941 395761094 /nfs/dbraw/zinc/76/10/94/395761094.db2.gz HZGTWPLBTJEXQW-INIZCTEOSA-N 1 0 306.406 0.771 50 0 DCAARO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)CC2CCC2)CC1 ZINC000195576938 395832330 /nfs/dbraw/zinc/83/23/30/395832330.db2.gz BDIGAJGCDPLKIV-ZDUSSCGKSA-N 1 0 303.472 0.732 50 0 DCAARO COCc1cc(CNc2cc(C3CC(O)C3)[nH+]c(N)n2)[nH]n1 ZINC000223925057 395857590 /nfs/dbraw/zinc/85/75/90/395857590.db2.gz WZRPHSSOQIJXJK-UHFFFAOYSA-N 1 0 304.354 0.779 50 0 DCAARO Cc1cccc([C@@H](CC(=O)N2CC[NH2+]C[C@H]2C)NC(N)=O)c1 ZINC000124644269 395901779 /nfs/dbraw/zinc/90/17/79/395901779.db2.gz ZPTPZBRQMRUUMJ-TZMCWYRMSA-N 1 0 304.394 0.915 50 0 DCAARO C[NH+]1CCC(N2CCC[C@H]2C(=O)NCc2cccnc2N)CC1 ZINC000244898929 395925992 /nfs/dbraw/zinc/92/59/92/395925992.db2.gz ZEBXIHNOKHHZBQ-HNNXBMFYSA-N 1 0 317.437 0.839 50 0 DCAARO CC(C)OC[C@H](O)C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000225527621 395861675 /nfs/dbraw/zinc/86/16/75/395861675.db2.gz XMZHCAZEDDWODX-OAHLLOKOSA-N 1 0 311.426 0.841 50 0 DCAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000248097961 395982410 /nfs/dbraw/zinc/98/24/10/395982410.db2.gz DHQCJGRQXRNXMQ-YNEHKIRRSA-N 1 0 300.424 0.506 50 0 DCAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1nccn1C ZINC000252517351 396022238 /nfs/dbraw/zinc/02/22/38/396022238.db2.gz GKGDHGPPHPNFDR-NWDGAFQWSA-N 1 0 300.428 0.570 50 0 DCAARO Cn1cc(C[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)cn1 ZINC000252666096 396023865 /nfs/dbraw/zinc/02/38/65/396023865.db2.gz AMIZPUJHOSIBPB-UKRRQHHQSA-N 1 0 306.410 0.580 50 0 DCAARO COC[C@@H]1C[N@H+](Cc2cc(C)nn2C)C[C@H]1C(=O)NC1CC1 ZINC000253409597 396026716 /nfs/dbraw/zinc/02/67/16/396026716.db2.gz MBVRNBNEWLKKIZ-SWLSCSKDSA-N 1 0 306.410 0.702 50 0 DCAARO COCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2OC)C[C@H]1CO ZINC000253410865 396026782 /nfs/dbraw/zinc/02/67/82/396026782.db2.gz NWQFJYUJSZILAL-UONOGXRCSA-N 1 0 308.378 0.251 50 0 DCAARO Cc1ccc2cc(CN3CC[N@@H+](C)[C@H](CO)C3)c(=O)[nH]c2c1 ZINC000067654591 396030212 /nfs/dbraw/zinc/03/02/12/396030212.db2.gz KPBCHAPWKOMLRV-HNNXBMFYSA-N 1 0 301.390 0.945 50 0 DCAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2Cn2cccn2)C[C@@H](C)O1 ZINC000253604623 396031594 /nfs/dbraw/zinc/03/15/94/396031594.db2.gz ZQUQDFXKUSWTAW-KFWWJZLASA-N 1 0 306.410 0.983 50 0 DCAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCCOC)cnn2c1 ZINC000067773744 396033088 /nfs/dbraw/zinc/03/30/88/396033088.db2.gz YBHWFRTZKWWCLD-UHFFFAOYSA-N 1 0 305.382 0.947 50 0 DCAARO O=C(c1cn(C[C@H]2CCC[NH2+]C2)nn1)N1CCc2n[nH]cc2C1 ZINC000067805711 396034044 /nfs/dbraw/zinc/03/40/44/396034044.db2.gz UZBKAHTZSPRKKX-NSHDSACASA-N 1 0 315.381 0.199 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)CC1 ZINC000257366409 396046926 /nfs/dbraw/zinc/04/69/26/396046926.db2.gz WSCYAPICZQFELD-CZUORRHYSA-N 1 0 322.453 0.092 50 0 DCAARO CCNC(=O)N1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000068238592 396050056 /nfs/dbraw/zinc/05/00/56/396050056.db2.gz VGRYLEUHBGGRQG-CQSZACIVSA-N 1 0 310.442 0.981 50 0 DCAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n1C ZINC000069744538 396089622 /nfs/dbraw/zinc/08/96/22/396089622.db2.gz GSKCWDFLEPTXFX-AWEZNQCLSA-N 1 0 318.421 0.888 50 0 DCAARO COCCN1C(=O)[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2C1=O ZINC000169751577 396090986 /nfs/dbraw/zinc/09/09/86/396090986.db2.gz JRXCSQMGYWYXAN-OKILXGFUSA-N 1 0 306.337 0.889 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C[C@H](O)COCc2ccccc2)CCO1 ZINC000069814269 396091207 /nfs/dbraw/zinc/09/12/07/396091207.db2.gz YUKYWKABRJISOK-DLBZAZTESA-N 1 0 308.422 0.827 50 0 DCAARO CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](NC(=O)c2ccsc2)C1 ZINC000169781285 396091951 /nfs/dbraw/zinc/09/19/51/396091951.db2.gz FGIFSOGDXPKZCI-VXGBXAGGSA-N 1 0 310.423 0.679 50 0 DCAARO Cc1nc2n(n1)C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)CC2 ZINC000069820345 396092327 /nfs/dbraw/zinc/09/23/27/396092327.db2.gz NBNAEDXMGOOEOI-CYBMUJFWSA-N 1 0 320.418 0.965 50 0 DCAARO O[C@@H](C[NH2+][C@H]1CCc2ncnn2C1)COc1ccc(F)cc1 ZINC000069876532 396093590 /nfs/dbraw/zinc/09/35/90/396093590.db2.gz UFJPMQIAPNNYMX-STQMWFEESA-N 1 0 306.341 0.762 50 0 DCAARO COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000069923800 396095731 /nfs/dbraw/zinc/09/57/31/396095731.db2.gz MFINMSJDDOZXDT-CHWSQXEVSA-N 1 0 312.414 0.999 50 0 DCAARO Cc1cnn(C[C@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)c1 ZINC000069950463 396096574 /nfs/dbraw/zinc/09/65/74/396096574.db2.gz WIKZCLBNBZWWCH-HZPDHXFCSA-N 1 0 308.426 0.349 50 0 DCAARO CCn1c(=O)n(CCC(=O)N2CCCC2)nc1[C@H]1CCC[NH2+]C1 ZINC000071278634 396111811 /nfs/dbraw/zinc/11/18/11/396111811.db2.gz NQECRLANIXBZQY-ZDUSSCGKSA-N 1 0 321.425 0.544 50 0 DCAARO CC(=O)[C@@H]1[C@@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@H]2C=C[C@H]3C=CC=C[C@@H]3[N@@H+]21 ZINC000071776050 396114592 /nfs/dbraw/zinc/11/45/92/396114592.db2.gz SAATWYPBUIMNRC-ZPVXKQQTSA-N 1 0 313.353 0.865 50 0 DCAARO O=C(c1ccccc1-n1cnnn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171443335 396117798 /nfs/dbraw/zinc/11/77/98/396117798.db2.gz ZQPJIQJCDCVTQS-ZDUSSCGKSA-N 1 0 312.377 0.973 50 0 DCAARO CC(C)[N@@H+]1CC[C@@H](NCc2cnc(N3CCOCC3)nc2)C1 ZINC000071857580 396119858 /nfs/dbraw/zinc/11/98/58/396119858.db2.gz UVELYIHMRSHUMV-OAHLLOKOSA-N 1 0 305.426 0.886 50 0 DCAARO C[C@H]([NH2+]C[C@H]1CCCN1c1cccnn1)C(=O)N1CCOCC1 ZINC000072276707 396129070 /nfs/dbraw/zinc/12/90/70/396129070.db2.gz BFAXVJPOEWNTIH-UONOGXRCSA-N 1 0 319.409 0.282 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1 ZINC000072300508 396130830 /nfs/dbraw/zinc/13/08/30/396130830.db2.gz IPZPTBIRFXYAGV-FRRDWIJNSA-N 1 0 317.455 0.255 50 0 DCAARO Nc1ncc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)s1 ZINC000261885197 396075816 /nfs/dbraw/zinc/07/58/16/396075816.db2.gz RUOSZIDGTPLQCW-LLVKDONJSA-N 1 0 310.423 0.796 50 0 DCAARO CC[C@H]1CO[C@@H](C)CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261940305 396081513 /nfs/dbraw/zinc/08/15/13/396081513.db2.gz LHHYKNLOBPZHGP-RYUDHWBXSA-N 1 0 307.398 0.842 50 0 DCAARO Cc1nc(CN(C)[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)no1 ZINC000076047286 396193218 /nfs/dbraw/zinc/19/32/18/396193218.db2.gz NYERKXUJCINVLX-KGLIPLIRSA-N 1 0 320.397 0.142 50 0 DCAARO C[C@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000076059272 396195950 /nfs/dbraw/zinc/19/59/50/396195950.db2.gz MYCIDNYXIIZUGM-BFQNTYOBSA-N 1 0 322.409 0.307 50 0 DCAARO O=C(CCN1CCCC1=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000078789248 396254538 /nfs/dbraw/zinc/25/45/38/396254538.db2.gz WEFYPMTXTBGCNQ-UONOGXRCSA-N 1 0 309.410 0.057 50 0 DCAARO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C)C[C@@H]2C)cc1C(N)=O ZINC000078899124 396257392 /nfs/dbraw/zinc/25/73/92/396257392.db2.gz IXBOUKTXJQXCPC-GWCFXTLKSA-N 1 0 311.407 0.322 50 0 DCAARO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)NC3=O)C2)c(OC)c1 ZINC000077287842 396217278 /nfs/dbraw/zinc/21/72/78/396217278.db2.gz GSFNSWYYJKTQJH-INIZCTEOSA-N 1 0 304.346 0.942 50 0 DCAARO Cc1nc2cc(CNC(=O)c3cn(CC[NH3+])nn3)ccc2n1C ZINC000077318965 396218539 /nfs/dbraw/zinc/21/85/39/396218539.db2.gz YUMYXLGXTWMZRN-UHFFFAOYSA-N 1 0 313.365 0.362 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1noc(C2CCC2)n1 ZINC000077378900 396220105 /nfs/dbraw/zinc/22/01/05/396220105.db2.gz XPTCUYHBNUAMDH-UHFFFAOYSA-N 1 0 305.338 0.511 50 0 DCAARO CC1CC[NH+](C[C@H](O)Cn2ncc3ncccc3c2=O)CC1 ZINC000077416499 396222526 /nfs/dbraw/zinc/22/25/26/396222526.db2.gz YQLHMUJAHXVAQD-ZDUSSCGKSA-N 1 0 302.378 0.884 50 0 DCAARO Cc1cc(C(F)(F)F)nc(CNC[C@@]2(O)C[NH2+]CCOC2)n1 ZINC000077472528 396223827 /nfs/dbraw/zinc/22/38/27/396223827.db2.gz KUSRYZJEXRNDNM-LBPRGKRZSA-N 1 0 320.315 0.244 50 0 DCAARO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC2(CNC(=O)C2)CC1 ZINC000077504250 396224922 /nfs/dbraw/zinc/22/49/22/396224922.db2.gz VAAUNMUQWWUYAF-OAHLLOKOSA-N 1 0 313.401 0.830 50 0 DCAARO O=C(Cc1ccc(CO)cc1)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000584888897 396633355 /nfs/dbraw/zinc/63/33/55/396633355.db2.gz ORYZFRJVJGXCKP-MRXNPFEDSA-N 1 0 306.406 0.542 50 0 DCAARO COc1cccc2ncn(C[C@@H]3COCC[N@H+](C)C3)c(=O)c21 ZINC000584903492 396637024 /nfs/dbraw/zinc/63/70/24/396637024.db2.gz PLAXBDRZQBSKOO-GFCCVEGCSA-N 1 0 303.362 0.983 50 0 DCAARO O=C(NC[C@@H](O)c1ccc(F)cc1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000585136924 396641415 /nfs/dbraw/zinc/64/14/15/396641415.db2.gz YRAOHXSAQVGTEH-ZBFHGGJFSA-N 1 0 321.352 0.874 50 0 DCAARO COc1cccc(N2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)c1 ZINC000299740945 396713317 /nfs/dbraw/zinc/71/33/17/396713317.db2.gz CFNHSVGUVIJWKU-DZGCQCFKSA-N 1 0 305.378 0.067 50 0 DCAARO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1c(F)cccc1Cl ZINC000630095432 396940431 /nfs/dbraw/zinc/94/04/31/396940431.db2.gz LPCUJOAGMFXPIM-VIFPVBQESA-N 1 0 322.789 0.887 50 0 DCAARO CS(=O)(=O)C[C@@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000383292678 397276808 /nfs/dbraw/zinc/27/68/08/397276808.db2.gz LNLVQYYMPAPBHV-CYBMUJFWSA-N 1 0 302.440 0.659 50 0 DCAARO [NH3+][C@H]1CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 ZINC000132318136 196245207 /nfs/dbraw/zinc/24/52/07/196245207.db2.gz ALFQCLLXZKSBOT-WFASDCNBSA-N 1 0 307.369 0.759 50 0 DCAARO C[C@@H]([NH2+]CCCO)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006552497 415135332 /nfs/dbraw/zinc/13/53/32/415135332.db2.gz BMTZGPUORSMHCC-CYBMUJFWSA-N 1 0 307.394 0.822 50 0 DCAARO CC[C@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)[NH+]1CCCC1 ZINC000042498740 415212534 /nfs/dbraw/zinc/21/25/34/415212534.db2.gz KLGZDRAHYTZPDB-CHWSQXEVSA-N 1 0 317.455 0.401 50 0 DCAARO COc1ncccc1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000044954768 415240024 /nfs/dbraw/zinc/24/00/24/415240024.db2.gz KEPYILNAHUYZIP-AWEZNQCLSA-N 1 0 322.409 0.736 50 0 DCAARO CCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000048366671 415289597 /nfs/dbraw/zinc/28/95/97/415289597.db2.gz YYHRPZSZPHLUKA-UHFFFAOYSA-N 1 0 304.394 0.903 50 0 DCAARO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC2CC2)c1 ZINC000067015259 415369146 /nfs/dbraw/zinc/36/91/46/415369146.db2.gz MUSGUFUAKSASSH-UHFFFAOYSA-N 1 0 304.394 0.940 50 0 DCAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCCCc1nc2cc(F)ccc2[nH]1 ZINC000067785834 415384970 /nfs/dbraw/zinc/38/49/70/415384970.db2.gz GSFYTFKRMPATIG-FZMZJTMJSA-N 1 0 319.384 0.782 50 0 DCAARO CCc1nc2n(n1)C[C@@H]([NH2+]CC(=O)Nc1cc(C)nn1C)CC2 ZINC000075603593 415452356 /nfs/dbraw/zinc/45/23/56/415452356.db2.gz HCWUJPXZJYXABE-NSHDSACASA-N 1 0 317.397 0.426 50 0 DCAARO Cc1nc2n(n1)C[C@@H]([NH2+]CC(=O)NCCCOC(C)C)CC2 ZINC000075605843 415452466 /nfs/dbraw/zinc/45/24/66/415452466.db2.gz MCZZFBCYAVEZDO-ZDUSSCGKSA-N 1 0 309.414 0.422 50 0 DCAARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CNC(=O)N1 ZINC000089818337 415522120 /nfs/dbraw/zinc/52/21/20/415522120.db2.gz UXQJWVGUSOORRK-AWEZNQCLSA-N 1 0 308.426 0.829 50 0 DCAARO C[S@](=O)c1ncn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000095438964 415557578 /nfs/dbraw/zinc/55/75/78/415557578.db2.gz PJNMZXWRXJMYEX-RCDICMHDSA-N 1 0 320.418 0.435 50 0 DCAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1 ZINC000095380988 415559535 /nfs/dbraw/zinc/55/95/35/415559535.db2.gz ULXBMDWUTPRFJN-LLVKDONJSA-N 1 0 307.398 0.131 50 0 DCAARO C[C@H]([NH2+]CC(=O)N[C@H]1CCCCNC1=O)[C@H](C)n1cccn1 ZINC000106790229 415644193 /nfs/dbraw/zinc/64/41/93/415644193.db2.gz PRIMPMOUSGXAIZ-AVGNSLFASA-N 1 0 307.398 0.207 50 0 DCAARO O=C(NCCc1cccnc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106838834 415647800 /nfs/dbraw/zinc/64/78/00/415647800.db2.gz LLAUBHNATRJRIJ-LSDHHAIUSA-N 1 0 304.394 0.787 50 0 DCAARO NC(=[NH2+])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000100770023 415592060 /nfs/dbraw/zinc/59/20/60/415592060.db2.gz UUTWBULUXCJKCX-UHFFFAOYSA-N 1 0 302.787 0.540 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)c(C)s2)C1 ZINC000132896434 415938890 /nfs/dbraw/zinc/93/88/90/415938890.db2.gz JMGVTGLUXJRSCS-VIFPVBQESA-N 1 0 317.436 0.528 50 0 DCAARO CNC(=O)c1cccc(CNC(=O)CN(C)C2CC[NH2+]CC2)c1 ZINC000299762407 416063827 /nfs/dbraw/zinc/06/38/27/416063827.db2.gz UZNYKEDFEKTWHE-UHFFFAOYSA-N 1 0 318.421 0.346 50 0 DCAARO Cn1cncc1C(=O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000299759236 416064762 /nfs/dbraw/zinc/06/47/62/416064762.db2.gz CVDWWXJOWAOSBN-HNNXBMFYSA-N 1 0 303.410 0.272 50 0 DCAARO CN(CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1)Cc1ccccn1 ZINC000299789751 416070050 /nfs/dbraw/zinc/07/00/50/416070050.db2.gz ABPVEPZSROLKMO-HOTGVXAUSA-N 1 0 318.421 0.493 50 0 DCAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)c3cn[nH]n3)cc2C1 ZINC000299800671 416071644 /nfs/dbraw/zinc/07/16/44/416071644.db2.gz USORTCZBXDJPHF-UHFFFAOYSA-N 1 0 317.397 0.793 50 0 DCAARO O=C(NC[C@H]1CCC[N@@H+](CCO)C1)c1cccn2cnnc12 ZINC000299801977 416071756 /nfs/dbraw/zinc/07/17/56/416071756.db2.gz ZNHYSQKUUFNWJJ-GFCCVEGCSA-N 1 0 303.366 0.163 50 0 DCAARO C[C@@H](CCc1ccccc1)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000170591823 416026855 /nfs/dbraw/zinc/02/68/55/416026855.db2.gz NFBJQXGKRMJKOT-GOEBONIOSA-N 1 0 315.417 0.898 50 0 DCAARO O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000195546298 416326789 /nfs/dbraw/zinc/32/67/89/416326789.db2.gz QLRMHIGSSZAHPJ-LLVKDONJSA-N 1 0 316.760 0.902 50 0 DCAARO CCn1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCCC2)cc1=O ZINC000215282453 416327230 /nfs/dbraw/zinc/32/72/30/416327230.db2.gz XANZZZCKMMNYGK-HNNXBMFYSA-N 1 0 321.421 0.835 50 0 DCAARO Cc1ccc(CN(C)C(=O)CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)o1 ZINC000242339235 416330391 /nfs/dbraw/zinc/33/03/91/416330391.db2.gz ZGCXNPHCLQVQAT-KGLIPLIRSA-N 1 0 323.437 0.933 50 0 DCAARO C[N@H+](CCn1cc[nH]c1=O)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000244691621 416330859 /nfs/dbraw/zinc/33/08/59/416330859.db2.gz JGCJTKIPHACURM-CYBMUJFWSA-N 1 0 306.410 0.899 50 0 DCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1n[nH]c2c1CCC2 ZINC000244724705 416330914 /nfs/dbraw/zinc/33/09/14/416330914.db2.gz MZCZWLPGHNPJTP-KBPBESRZSA-N 1 0 304.394 0.882 50 0 DCAARO CNC(=O)C[C@@H](C)[N@H+](C)Cc1cc(=O)n2cccc(O)c2n1 ZINC000244691839 416330990 /nfs/dbraw/zinc/33/09/90/416330990.db2.gz JJZRDWFGRNPHER-SNVBAGLBSA-N 1 0 304.350 0.357 50 0 DCAARO O=C(NCCOc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299752527 229396031 /nfs/dbraw/zinc/39/60/31/229396031.db2.gz UMHZOZDNFMCJOF-JQWIXIFHSA-N 1 0 318.295 0.923 50 0 DCAARO CC(C)C[C@@H]1COCCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000079306085 279034212 /nfs/dbraw/zinc/03/42/12/279034212.db2.gz PVHYDBLAXPSOOG-CABCVRRESA-N 1 0 312.458 0.689 50 0 DCAARO Cc1[nH]c(=O)c(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c(C)c1C ZINC000097822977 280182276 /nfs/dbraw/zinc/18/22/76/280182276.db2.gz YFTBWVQXQZNLAR-CQSZACIVSA-N 1 0 321.421 0.877 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000247493725 288233076 /nfs/dbraw/zinc/23/30/76/288233076.db2.gz MEYHITQDBLVGPT-UPJWGTAASA-N 1 0 303.428 0.120 50 0 DCAARO O=S(=O)(C[C@H]1CCCO1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000562841427 288603855 /nfs/dbraw/zinc/60/38/55/288603855.db2.gz KYCGWUFRLMMHRP-QLFBSQMISA-N 1 0 310.419 0.840 50 0 DCAARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000237574604 289791157 /nfs/dbraw/zinc/79/11/57/289791157.db2.gz DOBIPSVYGDJRLT-QNWHQSFQSA-N 1 0 305.444 0.542 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)Nc2nccs2)C[C@H]1C ZINC000241644453 290116484 /nfs/dbraw/zinc/11/64/84/290116484.db2.gz PQWCOEWILVCBTJ-WOPDTQHZSA-N 1 0 312.439 0.857 50 0 DCAARO Cn1c(SCc2noc(C(N)=O)n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000534663471 334323183 /nfs/dbraw/zinc/32/31/83/334323183.db2.gz IQRGXLSKPYJJLG-ZETCQYMHSA-N 1 0 323.382 0.056 50 0 DCAARO O=S(=O)(CCOc1ccccc1F)NC1CC[NH2+]CC1 ZINC000534676022 334326931 /nfs/dbraw/zinc/32/69/31/334326931.db2.gz XJQLQVZRNNVDBL-UHFFFAOYSA-N 1 0 302.371 0.876 50 0 DCAARO Cn1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1=O ZINC000084321539 545700513 /nfs/dbraw/zinc/70/05/13/545700513.db2.gz JOIGLWJGCTVLTM-KGLIPLIRSA-N 1 0 305.378 0.057 50 0 DCAARO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(C)o1 ZINC000222360801 545941649 /nfs/dbraw/zinc/94/16/49/545941649.db2.gz TUKDBKJIGXBKOW-AWEZNQCLSA-N 1 0 304.350 0.717 50 0 DCAARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)C1CCOCC1)CC2 ZINC000670436547 547088805 /nfs/dbraw/zinc/08/88/05/547088805.db2.gz UIHMGFJLDBGSKI-UHFFFAOYSA-N 1 0 309.410 0.226 50 0 DCAARO CC(C)[NH+]1CCC(CC(=O)NC[C@H]2CN(C)C(=O)CO2)CC1 ZINC000670443121 547092800 /nfs/dbraw/zinc/09/28/00/547092800.db2.gz DKLJWGPQRZSAPZ-AWEZNQCLSA-N 1 0 311.426 0.470 50 0 DCAARO CN(C)C(=O)[C@@H]1CN(C(=O)C2([NH+]3CCCC3)CCCC2)CCO1 ZINC000670452449 547095977 /nfs/dbraw/zinc/09/59/77/547095977.db2.gz CYSXMTZDSJRGGX-AWEZNQCLSA-N 1 0 323.437 0.711 50 0 DCAARO Cn1c(Cn2cc(O[C@@H]3COC[C@@H]3[NH3+])cn2)nnc1C1CCC1 ZINC000685941891 548747150 /nfs/dbraw/zinc/74/71/50/548747150.db2.gz CTPKFMMMIGFLON-QWHCGFSZSA-N 1 0 318.381 0.432 50 0 DCAARO Cc1cc(C(=O)NCc2ccncc2O[C@H]2CC[NH2+]C2)ncn1 ZINC000685940686 548747218 /nfs/dbraw/zinc/74/72/18/548747218.db2.gz FOKPSDVVMUQFBA-ZDUSSCGKSA-N 1 0 313.361 0.851 50 0 DCAARO Cn1cncc1Cn1nc(C[C@H]2CCCC[C@H]2[NH3+])n(C)c1=O ZINC000685942204 548747594 /nfs/dbraw/zinc/74/75/94/548747594.db2.gz GUABYWFHNYJUHP-DGCLKSJQSA-N 1 0 304.398 0.424 50 0 DCAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)Cc1cccnc1 ZINC000222299502 563724667 /nfs/dbraw/zinc/72/46/67/563724667.db2.gz BRMSQUPNPJMIDT-HUUCEWRRSA-N 1 0 307.394 0.476 50 0 DCAARO CC(CO)(CO)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000888096542 661173928 /nfs/dbraw/zinc/17/39/28/661173928.db2.gz IAOUQQTWMVEULZ-OAHLLOKOSA-N 1 0 321.421 0.551 50 0 DCAARO CC[C@@H](O)CN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000888096506 661174281 /nfs/dbraw/zinc/17/42/81/661174281.db2.gz YVJLTSDAULXKKM-ZMSDIMECSA-N 1 0 309.454 0.681 50 0 DCAARO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cn[nH]n1 ZINC000183392487 659174208 /nfs/dbraw/zinc/17/42/08/659174208.db2.gz DJMNMVSZPUAPPA-CYBMUJFWSA-N 1 0 301.350 0.301 50 0 DCAARO COCCCn1cnnc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C1 ZINC000426700118 661695969 /nfs/dbraw/zinc/69/59/69/661695969.db2.gz WXLMPYNSEILEKU-LBPRGKRZSA-N 1 0 310.402 0.160 50 0 DCAARO CCCOC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC000952972067 685599674 /nfs/dbraw/zinc/59/96/74/685599674.db2.gz URZWFOKVWPCQOX-ZIAGYGMSSA-N 1 0 311.426 0.459 50 0 DCAARO COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H]([NH3+])CCSC ZINC000952977453 685600602 /nfs/dbraw/zinc/60/06/02/685600602.db2.gz VPLIZXGHUNAZHS-JTQLQIEISA-N 1 0 322.394 0.690 50 0 DCAARO O=C(C[NH+]1CCCCCC1)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000952988896 685602928 /nfs/dbraw/zinc/60/29/28/685602928.db2.gz QRMLIRAZUGZVHD-HNNXBMFYSA-N 1 0 323.437 0.712 50 0 DCAARO COCCn1ccnc1CN1CC[C@@]2(CO)CCC[N@H+](C)[C@@H]2C1 ZINC001704302703 1179966978 /nfs/dbraw/zinc/96/69/78/1179966978.db2.gz CDVIYCOKXZTTPY-NVXWUHKLSA-N 1 0 322.453 0.808 50 0 DCAARO NC(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3CO)cc(=O)c2c1 ZINC001704356572 1179983958 /nfs/dbraw/zinc/98/39/58/1179983958.db2.gz FTPBSKINNHWONS-LBPRGKRZSA-N 1 0 301.346 0.584 50 0 DCAARO CC[NH+]1CCC(N2CCN(Cc3ncc[nH]3)C[C@@H](O)C2)CC1 ZINC000823107067 758224131 /nfs/dbraw/zinc/22/41/31/758224131.db2.gz PFYXWUNVFXRRAR-OAHLLOKOSA-N 1 0 307.442 0.373 50 0 DCAARO CCN1CC[NH+](C2CCN(C(=O)c3c(C)ncn3C)CC2)CC1 ZINC000823112827 758225287 /nfs/dbraw/zinc/22/52/87/758225287.db2.gz ILTIVLWGCQXSDV-UHFFFAOYSA-N 1 0 319.453 0.971 50 0 DCAARO CN1C(=O)[C@H](CC(=O)N2CCC3(C2)CC[NH+](C)CC3)N(C)C1=O ZINC000823770135 758267097 /nfs/dbraw/zinc/26/70/97/758267097.db2.gz OYQUMDUWIJMBEJ-LBPRGKRZSA-N 1 0 322.409 0.213 50 0 DCAARO CC[NH+]1CCN(Cc2nc(COC)nn2-c2cccnc2)CC1 ZINC000824490861 758776440 /nfs/dbraw/zinc/77/64/40/758776440.db2.gz YEOLWIPCEDEEME-UHFFFAOYSA-N 1 0 316.409 0.946 50 0 DCAARO Cc1nc(N)sc1CC(=O)NCCC[N@@H+]1CCC[C@@H](O)C1 ZINC000828627398 759048663 /nfs/dbraw/zinc/04/86/63/759048663.db2.gz MOGBQTUVPHJDEA-LLVKDONJSA-N 1 0 312.439 0.539 50 0 DCAARO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000585121116 766286538 /nfs/dbraw/zinc/28/65/38/766286538.db2.gz GLBREAZSHWFBRJ-CPUCHLNUSA-N 1 0 323.437 0.206 50 0 DCAARO COc1cccnc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000952884304 768952826 /nfs/dbraw/zinc/95/28/26/768952826.db2.gz XHLHZKUCSLWLCT-VXGBXAGGSA-N 1 0 307.398 0.846 50 0 DCAARO c1ncn(CCN2CC[NH+](C3CSCCSC3)CC2)n1 ZINC001506423066 1017266748 /nfs/dbraw/zinc/26/67/48/1017266748.db2.gz CCTVUHCUJWDEQW-UHFFFAOYSA-N 1 0 313.496 0.744 50 0 DCAARO O=C1N(CCOCCO)c2ccccc2NC12CC[NH2+]CC2 ZINC000082161941 185174089 /nfs/dbraw/zinc/17/40/89/185174089.db2.gz FIOAVEFPPDPXFE-UHFFFAOYSA-N 1 0 305.378 0.576 50 0 DCAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)C[NH3+] ZINC000071752702 191023819 /nfs/dbraw/zinc/02/38/19/191023819.db2.gz JJKLTYRDNNYYRV-UHFFFAOYSA-N 1 0 318.377 0.564 50 0 DCAARO COc1cc(C)ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCOC1 ZINC000072125443 191041374 /nfs/dbraw/zinc/04/13/74/191041374.db2.gz VYHBLVLNWBGYFY-GFCCVEGCSA-N 1 0 314.407 0.518 50 0 DCAARO Cc1nnnn1CCC[N@@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000072145283 191051900 /nfs/dbraw/zinc/05/19/00/191051900.db2.gz GKXQRLQBKPQNDI-INIZCTEOSA-N 1 0 322.457 0.948 50 0 DCAARO CC(C)c1nnc2n1CCN(C(=O)C[C@@H]1COCC[NH2+]1)CC2 ZINC000072164509 191065714 /nfs/dbraw/zinc/06/57/14/191065714.db2.gz KJOOPPCTJYXAQL-GFCCVEGCSA-N 1 0 307.398 0.165 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000072277738 191099189 /nfs/dbraw/zinc/09/91/89/191099189.db2.gz MEYHITQDBLVGPT-JHJVBQTASA-N 1 0 303.428 0.120 50 0 DCAARO Cc1cc(C)n(CCNc2ncnc3c2CC[NH2+]CC3)c(=O)n1 ZINC000072410099 191153362 /nfs/dbraw/zinc/15/33/62/191153362.db2.gz JTPFYCVYBODPDI-UHFFFAOYSA-N 1 0 314.393 0.450 50 0 DCAARO NC(=O)NCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072426951 191161908 /nfs/dbraw/zinc/16/19/08/191161908.db2.gz NSNPSTHTGNJXGU-UHFFFAOYSA-N 1 0 316.405 0.704 50 0 DCAARO Cc1cccnc1CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000072432111 191163903 /nfs/dbraw/zinc/16/39/03/191163903.db2.gz LWSYJYYOXKRKLI-OAHLLOKOSA-N 1 0 304.394 0.023 50 0 DCAARO Nc1ncnc2c1ncn2CC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004334881 181099473 /nfs/dbraw/zinc/09/94/73/181099473.db2.gz KZLVTBHCHYRPQJ-UHFFFAOYSA-N 1 0 312.333 0.927 50 0 DCAARO O=C1CN(C[C@]2(O)CC[NH2+]C2)CCN1CCc1ccccc1 ZINC000077298381 191687940 /nfs/dbraw/zinc/68/79/40/191687940.db2.gz BYXKAXZXDMECQU-KRWDZBQOSA-N 1 0 303.406 0.098 50 0 DCAARO COCC[NH2+]CC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000237148686 202166865 /nfs/dbraw/zinc/16/68/65/202166865.db2.gz QCDOSVCVIOMDSG-QLFBSQMISA-N 1 0 313.442 0.323 50 0 DCAARO COCCn1c(CO)nnc1[C@H]1C[C@H]([NH2+]C2CCOCC2)C1 ZINC000244884088 202507750 /nfs/dbraw/zinc/50/77/50/202507750.db2.gz YEZCOWIIIHRDMK-AULYBMBSSA-N 1 0 310.398 0.431 50 0 DCAARO CC(=O)N1CCC(c2nnc(CN3CC[NH+](C)CC3)n2C)CC1 ZINC000091547688 193071695 /nfs/dbraw/zinc/07/16/95/193071695.db2.gz ZXTXWTXMUXZMKP-UHFFFAOYSA-N 1 0 320.441 0.288 50 0 DCAARO CCc1nc(C)sc1CNC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000091562969 193073489 /nfs/dbraw/zinc/07/34/89/193073489.db2.gz UJRWROFEDAUCMC-NSHDSACASA-N 1 0 324.450 0.827 50 0 DCAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@@H]1CO ZINC000091645954 193084871 /nfs/dbraw/zinc/08/48/71/193084871.db2.gz RSRBJNCWFWDLBI-HUUCEWRRSA-N 1 0 324.396 0.359 50 0 DCAARO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1cn[nH]c1)CC2 ZINC000091626137 193081608 /nfs/dbraw/zinc/08/16/08/193081608.db2.gz KZFWECVKLDUUDB-KGLIPLIRSA-N 1 0 322.409 0.060 50 0 DCAARO [NH3+][C@H]1CN(C(=O)c2ccc(Cn3cnnn3)cc2)C[C@@H]1C1CC1 ZINC000091782167 193107188 /nfs/dbraw/zinc/10/71/88/193107188.db2.gz QIVAOWZGTKQIFJ-CABCVRRESA-N 1 0 312.377 0.531 50 0 DCAARO C[N@H+](CCO)C[C@@H]1CN(Cc2cccc(F)c2F)C[C@@H]1CO ZINC000092081432 193154605 /nfs/dbraw/zinc/15/46/05/193154605.db2.gz FQUWBDKPJKSOKG-ZIAGYGMSSA-N 1 0 314.376 0.929 50 0 DCAARO COc1nccnc1N1C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C1 ZINC000092098908 193158816 /nfs/dbraw/zinc/15/88/16/193158816.db2.gz PJBKVDXHIHOSML-ZIAGYGMSSA-N 1 0 323.441 0.023 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000095996599 193484542 /nfs/dbraw/zinc/48/45/42/193484542.db2.gz WIJCXTBLPNZCSO-VIFPVBQESA-N 1 0 304.803 0.690 50 0 DCAARO NC(=S)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000019361202 182119311 /nfs/dbraw/zinc/11/93/11/182119311.db2.gz PXQXNAPPHFOWAW-UGWHAMFMSA-N 1 0 302.447 0.387 50 0 DCAARO CCN(C[C@H](O)C[NH3+])S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000019685657 182136309 /nfs/dbraw/zinc/13/63/09/182136309.db2.gz KNPIKYQTLGQOOV-SNVBAGLBSA-N 1 0 306.815 0.979 50 0 DCAARO CC(C)(C)NC(=O)COc1ccc(CNCC[NH2+]CCO)cc1 ZINC000019691209 182137217 /nfs/dbraw/zinc/13/72/17/182137217.db2.gz CKKZCQLMLYDSAM-UHFFFAOYSA-N 1 0 323.437 0.652 50 0 DCAARO COc1ccc(N2C(=O)C[C@@H](N3CCC[N@H+](C)CC3)C2=O)cc1 ZINC000020149185 182192291 /nfs/dbraw/zinc/19/22/91/182192291.db2.gz NEAUJCOVLBYBAZ-OAHLLOKOSA-N 1 0 317.389 0.965 50 0 DCAARO CC(C)[C@@H](CNc1ccc2nnnn2n1)[NH+]1CCN(C)CC1 ZINC000022917167 182340831 /nfs/dbraw/zinc/34/08/31/182340831.db2.gz ZLDHEKHCFVTCCK-GFCCVEGCSA-N 1 0 304.402 0.203 50 0 DCAARO O=C(NCc1ccccc1OC(F)(F)F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000040855956 183142750 /nfs/dbraw/zinc/14/27/50/183142750.db2.gz OVIRACXPWNSNHH-NXEZZACHSA-N 1 0 304.268 0.924 50 0 DCAARO Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)NC(N)=O)CC2)o1 ZINC000051097100 183815058 /nfs/dbraw/zinc/81/50/58/183815058.db2.gz CJHYLHVTQDFGBB-UHFFFAOYSA-N 1 0 322.365 0.367 50 0 DCAARO O=C(C[N@H+]1CCC[C@H]1CO)N[C@@H]1CCN(c2ccccn2)C1 ZINC000110709186 194353115 /nfs/dbraw/zinc/35/31/15/194353115.db2.gz CHBMRFXNZJXXBH-KGLIPLIRSA-N 1 0 304.394 0.233 50 0 DCAARO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000058123477 184077591 /nfs/dbraw/zinc/07/75/91/184077591.db2.gz IYACIWIUSQADGQ-WDEREUQCSA-N 1 0 307.350 0.650 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CCCCNC1=O ZINC000058393601 184112555 /nfs/dbraw/zinc/11/25/55/184112555.db2.gz XGGSIUACMRBJJK-AWEZNQCLSA-N 1 0 321.425 0.323 50 0 DCAARO COc1ccnc(N2CCC[N@H+](CCC(=O)N(C)C)CC2)n1 ZINC000060340049 184146429 /nfs/dbraw/zinc/14/64/29/184146429.db2.gz WGHQJUHQDPEWKC-UHFFFAOYSA-N 1 0 307.398 0.476 50 0 DCAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000063194029 184277828 /nfs/dbraw/zinc/27/78/28/184277828.db2.gz OBXRXRYZEQJKMO-ZWNOBZJWSA-N 1 0 311.407 0.676 50 0 DCAARO Cc1nn(CCO)c(C)c1C[NH2+]CC(=O)NCc1ccco1 ZINC000065476947 184352190 /nfs/dbraw/zinc/35/21/90/184352190.db2.gz LERBSPISMPBTKG-UHFFFAOYSA-N 1 0 306.366 0.491 50 0 DCAARO COc1ccc(-n2c(CN3CC[NH+](C)CC3)n[nH]c2=O)c(C)c1 ZINC000065397496 184335989 /nfs/dbraw/zinc/33/59/89/184335989.db2.gz JCMACMTUDQCHOX-UHFFFAOYSA-N 1 0 317.393 0.625 50 0 DCAARO CCn1c(=O)n(Cc2noc(C3CC3)n2)nc1C1CC[NH2+]CC1 ZINC000065534073 184362077 /nfs/dbraw/zinc/36/20/77/184362077.db2.gz QWRQGWFRLTVUMF-UHFFFAOYSA-N 1 0 318.381 0.840 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1nc2ccccc2[nH]1 ZINC000067884685 184489612 /nfs/dbraw/zinc/48/96/12/184489612.db2.gz KLQVNZSHUQKIBU-MFKMUULPSA-N 1 0 315.377 0.629 50 0 DCAARO CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1OCC ZINC000236927387 256600256 /nfs/dbraw/zinc/60/02/56/256600256.db2.gz KUFLXPZDLNWZLC-ZIAGYGMSSA-N 1 0 322.405 0.866 50 0 DCAARO COc1cc(S(=O)(=O)NC2C[NH2+]C2)ccc1Br ZINC000237228854 257239792 /nfs/dbraw/zinc/23/97/92/257239792.db2.gz XSCIJQZDVSUNBE-UHFFFAOYSA-N 1 0 321.196 0.708 50 0 DCAARO Nc1cncc(-c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3O)cc2)c1 ZINC000426435258 257250285 /nfs/dbraw/zinc/25/02/85/257250285.db2.gz BRWANYPNAOOGHX-HZPDHXFCSA-N 1 0 312.373 0.783 50 0 DCAARO O=C([C@H]1CCC(=O)N1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426415261 257251818 /nfs/dbraw/zinc/25/18/18/257251818.db2.gz FFNUISYAOKDXTP-MRXNPFEDSA-N 1 0 313.401 0.577 50 0 DCAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000008429094 395684662 /nfs/dbraw/zinc/68/46/62/395684662.db2.gz TYLGDHGSPGYSOM-ZBFHGGJFSA-N 1 0 321.421 0.686 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCNc1ncnc2nc[nH]c21 ZINC000012322611 395687542 /nfs/dbraw/zinc/68/75/42/395687542.db2.gz RCTADCSJXGLJEM-LLVKDONJSA-N 1 0 317.397 0.755 50 0 DCAARO C[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(F)cc3F)CN2C1=O ZINC000014538495 395689443 /nfs/dbraw/zinc/68/94/43/395689443.db2.gz IOCUCINPZSQZER-WLTAIBSBSA-N 1 0 309.316 0.542 50 0 DCAARO Cc1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(F)cc1F ZINC000089570474 395713003 /nfs/dbraw/zinc/71/30/03/395713003.db2.gz ZVVCKQRANAHTRO-CYBMUJFWSA-N 1 0 322.377 0.864 50 0 DCAARO c1ncn(CC[N@@H+]2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC000089835004 395715962 /nfs/dbraw/zinc/71/59/62/395715962.db2.gz UWYDCLQLZWCBLW-IRXDYDNUSA-N 1 0 313.405 0.863 50 0 DCAARO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+]1CCc2ccccc2C1 ZINC000089900770 395716229 /nfs/dbraw/zinc/71/62/29/395716229.db2.gz SNQYFXBZOBDZBN-GFCCVEGCSA-N 1 0 300.366 0.236 50 0 DCAARO CC[C@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC000089943407 395717741 /nfs/dbraw/zinc/71/77/41/395717741.db2.gz AJGOAMAMZXWMCU-CHWSQXEVSA-N 1 0 317.455 0.595 50 0 DCAARO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cnn(C)c1 ZINC000096433875 395753473 /nfs/dbraw/zinc/75/34/73/395753473.db2.gz NRMPHSUJRYIEHJ-UHFFFAOYSA-N 1 0 308.430 0.910 50 0 DCAARO O=C(C[NH2+]C1CC1)N1CCN(Cc2ccccc2F)C[C@H](O)C1 ZINC000097759437 395760445 /nfs/dbraw/zinc/76/04/45/395760445.db2.gz HGEJZFFZXQRIKO-HNNXBMFYSA-N 1 0 321.396 0.583 50 0 DCAARO Cc1ccc(C)c(CC(=O)N2CC[N@H+](CCO)C[C@H](O)C2)c1 ZINC000097797196 395760923 /nfs/dbraw/zinc/76/09/23/395760923.db2.gz LRGGCODMYJQVCP-INIZCTEOSA-N 1 0 306.406 0.343 50 0 DCAARO C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CCCO3)ccn2)CC1 ZINC000048329230 395813055 /nfs/dbraw/zinc/81/30/55/395813055.db2.gz IREBQHINIOEJGB-CQSZACIVSA-N 1 0 304.394 0.629 50 0 DCAARO C[C@H]1CC[C@@H](C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000225418821 395859945 /nfs/dbraw/zinc/85/99/45/395859945.db2.gz PIJMCQKDYCQMDI-JKSUJKDBSA-N 1 0 309.454 0.899 50 0 DCAARO O=C(N1CCC([NH+]2CCOCC2)CC1)C1(Cn2ccnc2)CC1 ZINC000219670797 395846172 /nfs/dbraw/zinc/84/61/72/395846172.db2.gz VBLQYVKBSPZYKM-UHFFFAOYSA-N 1 0 318.421 0.987 50 0 DCAARO C[NH2+][C@@H](C(=O)NCCc1nc(C)cc(=O)[nH]1)c1ccccc1 ZINC000222861347 395853198 /nfs/dbraw/zinc/85/31/98/395853198.db2.gz MKWADWDQHDQARA-OAHLLOKOSA-N 1 0 300.362 0.698 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2cnc(N)nc2C)C1 ZINC000223249292 395853968 /nfs/dbraw/zinc/85/39/68/395853968.db2.gz DOHMKJRWQYTACC-LBPRGKRZSA-N 1 0 307.398 0.455 50 0 DCAARO O=C(c1c[nH]c(=O)cn1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000223306605 395854829 /nfs/dbraw/zinc/85/48/29/395854829.db2.gz DAHYXCXISSUZDM-UHFFFAOYSA-N 1 0 306.366 0.245 50 0 DCAARO COCCn1cncc1CNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000223709412 395856368 /nfs/dbraw/zinc/85/63/68/395856368.db2.gz XGCZQKBAXJFTOT-UHFFFAOYSA-N 1 0 317.397 0.719 50 0 DCAARO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000108929083 395795002 /nfs/dbraw/zinc/79/50/02/395795002.db2.gz IDOMCNAYGAWNAG-GMTAPVOTSA-N 1 0 322.409 0.215 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000124614935 395901577 /nfs/dbraw/zinc/90/15/77/395901577.db2.gz LRTKJWXDSIUFRP-LLVKDONJSA-N 1 0 313.361 0.405 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)Cc1csc(N2CCCNC2=O)n1 ZINC000125284241 395902160 /nfs/dbraw/zinc/90/21/60/395902160.db2.gz MQRRAYIOKJIWLS-SNVBAGLBSA-N 1 0 323.422 0.426 50 0 DCAARO CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000055041970 395910069 /nfs/dbraw/zinc/91/00/69/395910069.db2.gz FLLZJODGOOQONX-GFCCVEGCSA-N 1 0 310.398 0.995 50 0 DCAARO CN(CCc1cn[nH]c1)Cc1nnc(CC2CC[NH2+]CC2)n1C ZINC000055403050 395918705 /nfs/dbraw/zinc/91/87/05/395918705.db2.gz KVKMEILPEHIZGU-UHFFFAOYSA-N 1 0 317.441 0.755 50 0 DCAARO [NH3+]C[C@H]1CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000238046759 395920393 /nfs/dbraw/zinc/92/03/93/395920393.db2.gz SFOOKBZZTRTHEZ-MRVPVSSYSA-N 1 0 300.156 0.701 50 0 DCAARO C[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC[C@H]1C ZINC000242273820 395923866 /nfs/dbraw/zinc/92/38/66/395923866.db2.gz YGBVPAKDEUUOHY-JHJVBQTASA-N 1 0 317.455 0.736 50 0 DCAARO C[NH+](C)[C@@H]1CCN(CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000244787959 395925407 /nfs/dbraw/zinc/92/54/07/395925407.db2.gz QGZCAJKLSPSJEY-GFCCVEGCSA-N 1 0 317.393 0.821 50 0 DCAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)C[C@@H](C)O1 ZINC000229476327 395874870 /nfs/dbraw/zinc/87/48/70/395874870.db2.gz LNZZAZUYWLYDNH-RBSFLKMASA-N 1 0 321.425 0.626 50 0 DCAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2C[C@@H](O)CN2CCOCC2)n1 ZINC000229554658 395875804 /nfs/dbraw/zinc/87/58/04/395875804.db2.gz GTBRSHRDAPJTIE-IRXDYDNUSA-N 1 0 322.453 0.657 50 0 DCAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)Nc1cc[nH]n1 ZINC000229999430 395876129 /nfs/dbraw/zinc/87/61/29/395876129.db2.gz FMOHRHZYUWIUEQ-NEPJUHHUSA-N 1 0 305.382 0.729 50 0 DCAARO O=C(NCc1cccc(N2CCCC2=O)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000151680884 395990749 /nfs/dbraw/zinc/99/07/49/395990749.db2.gz SXBLCTCVWLIGOK-UONOGXRCSA-N 1 0 303.362 0.152 50 0 DCAARO Cn1cc([C@@H]2C[C@@H]2C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000252671858 396023936 /nfs/dbraw/zinc/02/39/36/396023936.db2.gz OLRZRQYPOUXKPK-YHUYYLMFSA-N 1 0 318.421 0.581 50 0 DCAARO Cn1cc([C@@H]2C[C@@H]2C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000252671857 396024108 /nfs/dbraw/zinc/02/41/08/396024108.db2.gz OLRZRQYPOUXKPK-VGWMRTNUSA-N 1 0 318.421 0.581 50 0 DCAARO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2)C[C@H]1CO ZINC000253397748 396026772 /nfs/dbraw/zinc/02/67/72/396026772.db2.gz BPUBDSOTIHBBNK-LSDHHAIUSA-N 1 0 322.405 0.559 50 0 DCAARO Cc1cc(=O)n(CC[NH+]2CCC3(CC2)OCCC[C@H]3O)c(=O)[nH]1 ZINC000253536203 396029785 /nfs/dbraw/zinc/02/97/85/396029785.db2.gz BKKVIXLSCBIBDD-CYBMUJFWSA-N 1 0 323.393 0.263 50 0 DCAARO Cc1nc(C)c(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)s1 ZINC000067655081 396030019 /nfs/dbraw/zinc/03/00/19/396030019.db2.gz OPQYTAVWSZIMOW-QWRGUYRKSA-N 1 0 310.423 0.826 50 0 DCAARO CC(C)c1ncc(C(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)c(=O)[nH]1 ZINC000253536699 396030183 /nfs/dbraw/zinc/03/01/83/396030183.db2.gz LHIUYPUUFOWKSS-GFCCVEGCSA-N 1 0 322.409 0.740 50 0 DCAARO O=C(N[C@@H]1CN(Cc2ccccn2)C[C@H]1CO)c1ccco1 ZINC000257190417 396035243 /nfs/dbraw/zinc/03/52/43/396035243.db2.gz MMGPTGGSPKHMPD-GXTWGEPZSA-N 1 0 301.346 0.897 50 0 DCAARO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cnc[nH]1 ZINC000257194279 396035882 /nfs/dbraw/zinc/03/58/82/396035882.db2.gz SYSCXTOJKXZJSP-DZGCQCFKSA-N 1 0 300.362 0.632 50 0 DCAARO C[NH2+]CCNC[C@@]1(O)CCCN(Cc2cccc(OC)c2)C1=O ZINC000067921245 396038587 /nfs/dbraw/zinc/03/85/87/396038587.db2.gz JVDPPDFWOPXAQT-KRWDZBQOSA-N 1 0 321.421 0.358 50 0 DCAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]CCO)C2=O)c1 ZINC000067909575 396038994 /nfs/dbraw/zinc/03/89/94/396038994.db2.gz ZEDQZOMHXQOQNV-INIZCTEOSA-N 1 0 308.378 0.131 50 0 DCAARO CCn1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](CC)C2)c(C)n1 ZINC000067935223 396039494 /nfs/dbraw/zinc/03/94/94/396039494.db2.gz YQDPIQFHGWHAMQ-LBPRGKRZSA-N 1 0 300.428 0.832 50 0 DCAARO CCN(CC)c1ccc(C(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC)cc1 ZINC000067948078 396039700 /nfs/dbraw/zinc/03/97/00/396039700.db2.gz RNEVDGROEDKRCK-HIFRSBDPSA-N 1 0 318.421 0.821 50 0 DCAARO COC[C@@H](Cc1ccccc1)[NH2+]C[C@](C)(O)CN1CCOCC1 ZINC000165534614 396088271 /nfs/dbraw/zinc/08/82/71/396088271.db2.gz DPIFAGWSMYFDRL-MSOLQXFVSA-N 1 0 322.449 0.917 50 0 DCAARO O=S(=O)(CC[NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000069745043 396089236 /nfs/dbraw/zinc/08/92/36/396089236.db2.gz CPWBRFLQKJHUMI-LBPRGKRZSA-N 1 0 306.391 0.656 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1CCOC ZINC000069842232 396091921 /nfs/dbraw/zinc/09/19/21/396091921.db2.gz KWTREASHLPZKOX-AWEZNQCLSA-N 1 0 323.441 0.710 50 0 DCAARO Cn1ccnc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000169784988 396092774 /nfs/dbraw/zinc/09/27/74/396092774.db2.gz SQIFHXYYANLACG-AWEZNQCLSA-N 1 0 306.410 0.995 50 0 DCAARO CC(C)c1nnc2n1C[C@H](C[NH2+]CCCS(C)(=O)=O)CC2 ZINC000069892759 396093845 /nfs/dbraw/zinc/09/38/45/396093845.db2.gz FJTWIPOSNZISCJ-LBPRGKRZSA-N 1 0 314.455 0.988 50 0 DCAARO Cc1ccc(CN(C)C(=O)C[NH2+][C@H]2CCc3ncnn3C2)o1 ZINC000069922829 396095156 /nfs/dbraw/zinc/09/51/56/396095156.db2.gz LOTWEBLCTJURAH-LBPRGKRZSA-N 1 0 303.366 0.743 50 0 DCAARO NC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000071798129 396115596 /nfs/dbraw/zinc/11/55/96/396115596.db2.gz OKROVJBHJGBOAT-GFCCVEGCSA-N 1 0 304.350 0.120 50 0 DCAARO CC(=O)N1CCC(C[NH+]2CCN(Cc3nccn3C)CC2)CC1 ZINC000071879124 396123077 /nfs/dbraw/zinc/12/30/77/396123077.db2.gz SYZHAVXCHUDUKF-UHFFFAOYSA-N 1 0 319.453 0.796 50 0 DCAARO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)COC)CC1 ZINC000071920303 396125385 /nfs/dbraw/zinc/12/53/85/396125385.db2.gz NMGSLWHDVPUMCN-ZIAGYGMSSA-N 1 0 300.447 0.594 50 0 DCAARO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CCCN2c2cccnn2)on1 ZINC000072276746 396129125 /nfs/dbraw/zinc/12/91/25/396129125.db2.gz UWAUFPHPRDRBGV-LBPRGKRZSA-N 1 0 316.365 0.970 50 0 DCAARO C[C@@H](C[NH3+])C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000262588173 396159104 /nfs/dbraw/zinc/15/91/04/396159104.db2.gz VVLXSHZJTBKDLN-JTQLQIEISA-N 1 0 311.407 0.538 50 0 DCAARO NC(=O)CN1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000178162375 396190248 /nfs/dbraw/zinc/19/02/48/396190248.db2.gz ODPYDAGNIAUVCK-CQSZACIVSA-N 1 0 322.453 0.271 50 0 DCAARO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3C[N@@H+](C)C[C@@H]3C)cc12 ZINC000076058290 396195059 /nfs/dbraw/zinc/19/50/59/396195059.db2.gz HFKPYLKSIKNOMF-TVQRCGJNSA-N 1 0 323.422 0.505 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000178499125 396197765 /nfs/dbraw/zinc/19/77/65/396197765.db2.gz OIVLXUVUKWDMIO-SSDOTTSWSA-N 1 0 300.156 0.571 50 0 DCAARO [NH3+]C[C@H]1CCN(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000178578125 396199556 /nfs/dbraw/zinc/19/95/56/396199556.db2.gz CFRJHRLMLCCHPH-SECBINFHSA-N 1 0 314.183 0.418 50 0 DCAARO Cc1cc(C)nc(N2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000079482236 396265046 /nfs/dbraw/zinc/26/50/46/396265046.db2.gz GCYUBMJLBDXLLA-UHFFFAOYSA-N 1 0 305.426 0.988 50 0 DCAARO CCCc1nc(C)c(CNC(=O)c2cn(CC[NH3+])nn2)s1 ZINC000077439913 396221944 /nfs/dbraw/zinc/22/19/44/396221944.db2.gz JZDHFLYPBSMPOL-UHFFFAOYSA-N 1 0 308.411 0.884 50 0 DCAARO CCOCCn1c2ccc(C(=O)NCC[NH+](C)C)cc2[nH]c1=O ZINC000077488246 396224187 /nfs/dbraw/zinc/22/41/87/396224187.db2.gz KORWKCZQLCVXAK-UHFFFAOYSA-N 1 0 320.393 0.658 50 0 DCAARO Cc1occc1C(=O)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077471761 396224274 /nfs/dbraw/zinc/22/42/74/396224274.db2.gz YNUHZAOYOCTOKW-INIZCTEOSA-N 1 0 308.378 0.887 50 0 DCAARO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)c1cn(CC[NH3+])nn1 ZINC000077486016 396224397 /nfs/dbraw/zinc/22/43/97/396224397.db2.gz XXDXTOCAIKBLMY-UHFFFAOYSA-N 1 0 317.328 0.524 50 0 DCAARO C[C@H](CN(C)C(=O)NCc1noc(C(N)=O)n1)C[NH+]1CCCC1 ZINC000584893096 396634168 /nfs/dbraw/zinc/63/41/68/396634168.db2.gz ZQSBDWOINGTMSC-SNVBAGLBSA-N 1 0 324.385 0.042 50 0 DCAARO C[N@@H+]1CCOC[C@H](CNC(=O)Cc2n[nH]c3ccccc23)C1 ZINC000584894652 396634510 /nfs/dbraw/zinc/63/45/10/396634510.db2.gz RPLBUZJSSKKYQQ-GFCCVEGCSA-N 1 0 302.378 0.800 50 0 DCAARO C[NH+](C)[C@H]1CCN(C(=O)CCN2CCCCCC2=O)C[C@@H]1O ZINC000584900598 396636442 /nfs/dbraw/zinc/63/64/42/396636442.db2.gz IPBVQLJJNZHHRL-KBPBESRZSA-N 1 0 311.426 0.303 50 0 DCAARO CN(C)C1(Cn2cnc3cccnc3c2=O)CC[NH+](C)CC1 ZINC000584901696 396637340 /nfs/dbraw/zinc/63/73/40/396637340.db2.gz DVVLMCFIXLPTLF-UHFFFAOYSA-N 1 0 301.394 0.818 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2C)CC1 ZINC000299754050 396714343 /nfs/dbraw/zinc/71/43/43/396714343.db2.gz RXWLVHSKOMDYBK-GDBMZVCRSA-N 1 0 305.426 0.368 50 0 DCAARO COc1cc(C)c([C@H](C)NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1OC ZINC000237301310 158638519 /nfs/dbraw/zinc/63/85/19/158638519.db2.gz NTDUIFOYAFQSPZ-LOWVWBTDSA-N 1 0 308.378 0.912 50 0 DCAARO C[C@@H](O)CN1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000075603010 287093537 /nfs/dbraw/zinc/09/35/37/287093537.db2.gz HXXIKKXXUHWOHN-CQSZACIVSA-N 1 0 305.422 0.887 50 0 DCAARO C[NH+](C)C1(CNC(=O)C(=O)Nc2c[nH]ccc2=O)CCCC1 ZINC000044920167 415235733 /nfs/dbraw/zinc/23/57/33/415235733.db2.gz JDHZERPUOSRJDP-UHFFFAOYSA-N 1 0 306.366 0.304 50 0 DCAARO O=C(Cn1nc2ccccn2c1=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044941771 415236715 /nfs/dbraw/zinc/23/67/15/415236715.db2.gz BYTIKICLGOHNRW-QWHCGFSZSA-N 1 0 315.377 0.239 50 0 DCAARO COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000048037737 415284310 /nfs/dbraw/zinc/28/43/10/415284310.db2.gz KMYBPKHNDOFTBA-JSGCOSHPSA-N 1 0 319.405 0.550 50 0 DCAARO O=C(NCc1ccc(F)cc1Br)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000269241841 415247918 /nfs/dbraw/zinc/24/79/18/415247918.db2.gz IFFYCDVQQRRLRT-KOLCDFICSA-N 1 0 317.158 0.927 50 0 DCAARO CCOC(=O)c1[nH]c(=O)[nH]c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067460246 415373620 /nfs/dbraw/zinc/37/36/20/415373620.db2.gz BEYVSFQWSDDPRV-HNNXBMFYSA-N 1 0 308.382 0.455 50 0 DCAARO CSc1ncc(C(=O)N[C@H]2C[C@H]3CN(C)CC[N@@H+]3C2)c(=O)[nH]1 ZINC000067695577 415382935 /nfs/dbraw/zinc/38/29/35/415382935.db2.gz NFUUHUWWECTZJQ-UWVGGRQHSA-N 1 0 323.422 0.022 50 0 DCAARO O=C(C1CCC1)N(CC1=CCC[N@@H+](C[C@@H](O)CO)C1)C1CC1 ZINC000067688975 415384488 /nfs/dbraw/zinc/38/44/88/415384488.db2.gz PRBKBLIMFXMIEK-MRXNPFEDSA-N 1 0 308.422 0.763 50 0 DCAARO C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@H]1[NH+](C)C ZINC000084714321 415502486 /nfs/dbraw/zinc/50/24/86/415502486.db2.gz DJMWXHPNQTWQNM-IUODEOHRSA-N 1 0 314.389 0.805 50 0 DCAARO CN(C)CC[N@H+](C)C[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1CO ZINC000092081610 415538249 /nfs/dbraw/zinc/53/82/49/415538249.db2.gz YILWCNSXBMHGSE-HUUCEWRRSA-N 1 0 322.453 0.199 50 0 DCAARO CN1CC[NH+]([C@H]2CCN(c3ncccn3)C[C@H]2CCCO)CC1 ZINC000091997735 415538472 /nfs/dbraw/zinc/53/84/72/415538472.db2.gz CIBBBVCVXBLXTL-CVEARBPZSA-N 1 0 319.453 0.691 50 0 DCAARO C[NH+]1CCC(O)(CCNC(=O)[C@@H](O)c2ccccc2F)CC1 ZINC000299756839 416064013 /nfs/dbraw/zinc/06/40/13/416064013.db2.gz JIWHCPIPQKUFFZ-AWEZNQCLSA-N 1 0 310.369 0.822 50 0 DCAARO Cn1cccc(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)c1=O ZINC000299773606 416065815 /nfs/dbraw/zinc/06/58/15/416065815.db2.gz DRUSUODTNXHQJC-KBPBESRZSA-N 1 0 301.350 0.323 50 0 DCAARO COCCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[NH2+]CC2 ZINC000299765460 416065957 /nfs/dbraw/zinc/06/59/57/416065957.db2.gz BCZMZEMSRSKMPS-GFCCVEGCSA-N 1 0 309.414 0.664 50 0 DCAARO Cc1[nH][nH]c(=O)c1CC(=O)NCc1ccccc1C[NH+](C)C ZINC000299764885 416066475 /nfs/dbraw/zinc/06/64/75/416066475.db2.gz VHDAAOMBNIXKLJ-UHFFFAOYSA-N 1 0 302.378 0.932 50 0 DCAARO Cc1cc(CC(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)on1 ZINC000299784485 416066916 /nfs/dbraw/zinc/06/69/16/416066916.db2.gz HXAVKNWOTIVFJW-UHFFFAOYSA-N 1 0 306.410 0.669 50 0 DCAARO NC(=O)C1CC[NH+](CCCNC(=O)c2ccc(F)c(O)c2)CC1 ZINC000299780146 416067129 /nfs/dbraw/zinc/06/71/29/416067129.db2.gz KAIRSGLXQKYRDP-UHFFFAOYSA-N 1 0 323.368 0.849 50 0 DCAARO O=C1[C@@H]([N@@H+]2CCCC[C@H]2CN2CCOCC2)CCN1C1CC1 ZINC000252517290 416334565 /nfs/dbraw/zinc/33/45/65/416334565.db2.gz DWJQRYZIJWZERD-HOTGVXAUSA-N 1 0 307.438 0.936 50 0 DCAARO O=C(NC[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000215655129 416327312 /nfs/dbraw/zinc/32/73/12/416327312.db2.gz NWDJXVCVHBCARJ-LLVKDONJSA-N 1 0 320.393 0.448 50 0 DCAARO CCn1cc(C(=O)NCC[C@H](C)[NH+]2CCN(C)CC2)c(C)n1 ZINC000216158554 416327437 /nfs/dbraw/zinc/32/74/37/416327437.db2.gz KSGARQOEVUCBIJ-ZDUSSCGKSA-N 1 0 307.442 0.967 50 0 DCAARO C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@@H](C)S1 ZINC000229343540 416328067 /nfs/dbraw/zinc/32/80/67/416328067.db2.gz COGPWVPAVZTIRY-UPJWGTAASA-N 1 0 300.472 0.768 50 0 DCAARO C[C@@H]1CCCN(S(=O)(=O)c2ncn(C)c2Cl)[C@@H]1C[NH3+] ZINC000237559493 416328720 /nfs/dbraw/zinc/32/87/20/416328720.db2.gz UQUCBPAWCDQQJA-RKDXNWHRSA-N 1 0 306.819 0.821 50 0 DCAARO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000237956518 416329233 /nfs/dbraw/zinc/32/92/33/416329233.db2.gz RYHCOGNBWKKPFX-NSHDSACASA-N 1 0 315.377 0.490 50 0 DCAARO CC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000241644555 416330346 /nfs/dbraw/zinc/33/03/46/416330346.db2.gz PRSPKIQDCYETBX-VXGBXAGGSA-N 1 0 303.428 0.062 50 0 DCAARO CN(C)CC[N@H+](C)C1CCN(C(=O)c2cnc(N)s2)CC1 ZINC000584888582 416516286 /nfs/dbraw/zinc/51/62/86/416516286.db2.gz CTMPDXGKHSQRJO-UHFFFAOYSA-N 1 0 311.455 0.823 50 0 DCAARO C[NH+]1CCC(OC(=O)NCc2cn(-c3ccncc3)nn2)CC1 ZINC000575617532 417541519 /nfs/dbraw/zinc/54/15/19/417541519.db2.gz UEAWSFBUPBNFBD-UHFFFAOYSA-N 1 0 316.365 0.983 50 0 DCAARO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1=O ZINC000299749368 229392838 /nfs/dbraw/zinc/39/28/38/229392838.db2.gz KCDJNOOAJDGFQD-UNQGMJICSA-N 1 0 301.390 0.682 50 0 DCAARO O=C(C[C@H]1CC[NH2+]C1)N1CCN(Cc2ccccc2)C(=O)C1 ZINC000299765898 229414869 /nfs/dbraw/zinc/41/48/69/229414869.db2.gz ZCSNYLQYAGYIFH-OAHLLOKOSA-N 1 0 301.390 0.857 50 0 DCAARO COC(=O)NCC(=O)N(C)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000082157612 277072766 /nfs/dbraw/zinc/07/27/66/277072766.db2.gz QVJZBIRHGMRENT-AWEZNQCLSA-N 1 0 305.378 0.858 50 0 DCAARO COCCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C1Cc2ccccc2C1 ZINC000299771212 277228954 /nfs/dbraw/zinc/22/89/54/277228954.db2.gz WSGLTQWKVTVKLY-HOCLYGCPSA-N 1 0 303.406 0.318 50 0 DCAARO C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)C(=O)NC(N)=O ZINC000028889868 278358928 /nfs/dbraw/zinc/35/89/28/278358928.db2.gz BNUBLJZRRBWIGZ-LLVKDONJSA-N 1 0 301.350 0.604 50 0 DCAARO Cc1ncnc(N2CCC([N@@H+]3CCNC(=O)CC3)CC2)c1C ZINC000091985988 279176518 /nfs/dbraw/zinc/17/65/18/279176518.db2.gz NQYBVUXHOJZDSB-UHFFFAOYSA-N 1 0 303.410 0.884 50 0 DCAARO C[C@H](Cn1cccn1)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000069374187 279386732 /nfs/dbraw/zinc/38/67/32/279386732.db2.gz SBOJXUHRGXPQFQ-DOMZBBRYSA-N 1 0 323.418 0.998 50 0 DCAARO NC(=O)CN1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000095460386 279560728 /nfs/dbraw/zinc/56/07/28/279560728.db2.gz NPPYAUDXRWWYCI-BZPMIXESSA-N 1 0 315.508 0.905 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000252221825 288232679 /nfs/dbraw/zinc/23/26/79/288232679.db2.gz ZFNSSXARUWLNLF-RVMXOQNASA-N 1 0 305.444 0.400 50 0 DCAARO Cc1nc2c(cnn2C)c(N[C@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000095388878 282020236 /nfs/dbraw/zinc/02/02/36/282020236.db2.gz NITQOVAQBGYNPA-LLVKDONJSA-N 1 0 302.382 0.995 50 0 DCAARO C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H]1c1ccccc1 ZINC000253429222 290133161 /nfs/dbraw/zinc/13/31/61/290133161.db2.gz CFAJEATXCGMQMR-RHSMWYFYSA-N 1 0 317.389 0.407 50 0 DCAARO Cc1cnc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000060359766 302334773 /nfs/dbraw/zinc/33/47/73/302334773.db2.gz AIWDEQVRXFVVKO-CQSZACIVSA-N 1 0 319.409 0.458 50 0 DCAARO O=C(c1nc2ccccc2c(=O)[nH]1)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534586746 334292038 /nfs/dbraw/zinc/29/20/38/334292038.db2.gz POHHVWHJZDJQJE-WVKUQDAKSA-N 1 0 310.357 0.746 50 0 DCAARO Cc1ccc(OCCS(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000534664004 334323251 /nfs/dbraw/zinc/32/32/51/334323251.db2.gz MGVHJSXOAHLHBB-CQSZACIVSA-N 1 0 314.407 0.282 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C[C@H](C)[NH2+]1 ZINC000154278873 533877376 /nfs/dbraw/zinc/87/73/76/533877376.db2.gz QHFZWEBMOBNBEY-IUCAKERBSA-N 1 0 315.370 0.296 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])o1 ZINC000156966298 522274987 /nfs/dbraw/zinc/27/49/87/522274987.db2.gz YQXCLIUGKVWRRH-ZJUUUORDSA-N 1 0 315.395 0.387 50 0 DCAARO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000237937560 527187844 /nfs/dbraw/zinc/18/78/44/527187844.db2.gz FFNWPGQXBSJUIV-ZDUSSCGKSA-N 1 0 307.369 0.682 50 0 DCAARO CNC(=O)c1cc(S(=O)(=O)N[C@](C)(C[NH3+])C(C)C)cn1C ZINC000155955217 545845687 /nfs/dbraw/zinc/84/56/87/545845687.db2.gz VZYFKIRPOGFKJM-CYBMUJFWSA-N 1 0 316.427 0.036 50 0 DCAARO O=C(NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2)[C@@H]1CC[NH2+]1 ZINC000670454193 547097670 /nfs/dbraw/zinc/09/76/70/547097670.db2.gz ADLJVRZFJKGVAQ-GNVUBMPBSA-N 1 0 302.382 0.199 50 0 DCAARO O[C@H]1CN(Cc2nc3ncccn3n2)C[C@@H]1[NH+]1CCCCC1 ZINC000670456163 547098071 /nfs/dbraw/zinc/09/80/71/547098071.db2.gz CUTWZDIYYHRRTG-STQMWFEESA-N 1 0 302.382 0.155 50 0 DCAARO CC(=O)c1cc(CN2CC[C@@]3(C2)CN(C)C(=O)CO3)n(C)c1 ZINC000670466133 547098925 /nfs/dbraw/zinc/09/89/25/547098925.db2.gz KFCUFHYVQRZDPD-INIZCTEOSA-N 1 0 305.378 0.661 50 0 DCAARO CC(=O)c1cc(CN2CC[C@]3(C2)CN(C)C(=O)CO3)n(C)c1 ZINC000670466134 547099221 /nfs/dbraw/zinc/09/92/21/547099221.db2.gz KFCUFHYVQRZDPD-MRXNPFEDSA-N 1 0 305.378 0.661 50 0 DCAARO COCCn1cnnc1CNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000670467389 547100133 /nfs/dbraw/zinc/10/01/33/547100133.db2.gz IHVOTFYANGCCLM-UHFFFAOYSA-N 1 0 321.425 0.949 50 0 DCAARO CN(C(=O)Cn1cc(O[C@@H]2COC[C@@H]2[NH3+])cn1)C1CCCCC1 ZINC000685942642 548747713 /nfs/dbraw/zinc/74/77/13/548747713.db2.gz KFEQHTGYHRAWLK-LSDHHAIUSA-N 1 0 322.409 0.779 50 0 DCAARO [NH3+][C@H]1COC[C@H]1Oc1cnn(Cc2noc3c2CCCC3)c1 ZINC000685942996 548748129 /nfs/dbraw/zinc/74/81/29/548748129.db2.gz PPJKTTIAVAKQPZ-SWLSCSKDSA-N 1 0 304.350 0.903 50 0 DCAARO Cc1nc(C)n(CCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000244874857 660602622 /nfs/dbraw/zinc/60/26/22/660602622.db2.gz XIJSGVHIMRPWIX-LBPRGKRZSA-N 1 0 309.414 0.370 50 0 DCAARO O=C(NCCn1ccnc1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000426690556 661695234 /nfs/dbraw/zinc/69/52/34/661695234.db2.gz IYEHECPDLJAXAF-KBPBESRZSA-N 1 0 307.398 0.124 50 0 DCAARO O=C(Cn1cccnc1=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299772220 662678912 /nfs/dbraw/zinc/67/89/12/662678912.db2.gz SKMWVVYXQZUWJS-CQSZACIVSA-N 1 0 320.393 0.003 50 0 DCAARO O=c1[nH]c2ccccc2n1C1CCN(C[C@@]2(O)CC[NH2+]C2)CC1 ZINC000072430586 666310174 /nfs/dbraw/zinc/31/01/74/666310174.db2.gz WUDVLQGDXUIFNP-QGZVFWFLSA-N 1 0 316.405 0.691 50 0 DCAARO COc1ncc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cn1 ZINC000952968834 685598918 /nfs/dbraw/zinc/59/89/18/685598918.db2.gz DQHNUFVINNJECY-HNNXBMFYSA-N 1 0 319.453 0.945 50 0 DCAARO CCCOC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC000952972062 685600182 /nfs/dbraw/zinc/60/01/82/685600182.db2.gz URZWFOKVWPCQOX-UONOGXRCSA-N 1 0 311.426 0.459 50 0 DCAARO C[C@H](C(=O)N(C)C)[NH+]1CCC(CNC(=O)c2cnccn2)CC1 ZINC000952982550 685602021 /nfs/dbraw/zinc/60/20/21/685602021.db2.gz YFVCRSKXZJZZFX-GFCCVEGCSA-N 1 0 319.409 0.395 50 0 DCAARO Cc1nc2c(c(C)n1)C[C@H](C[N@H+]1C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C1)O2 ZINC000072125688 685073575 /nfs/dbraw/zinc/07/35/75/685073575.db2.gz HYKPRBCHTSSBSA-WALBABNVSA-N 1 0 319.405 0.461 50 0 DCAARO CCOC(=O)N1CCC([NH2+]C[C@@H]2Cc3nnc(C)n3C2)CC1 ZINC001772701215 1157841096 /nfs/dbraw/zinc/84/10/96/1157841096.db2.gz JCAQELWOFXNHOV-LBPRGKRZSA-N 1 0 307.398 0.969 50 0 DCAARO O=C(CN1C[C@@H]2C[NH2+]C[C@]2(CO)C1)NC1CCCCCCC1 ZINC001772703516 1157842452 /nfs/dbraw/zinc/84/24/52/1157842452.db2.gz XRQQICFPFOHIIY-WMLDXEAASA-N 1 0 309.454 0.729 50 0 DCAARO Cc1cccc(NC(=O)CN2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c1C ZINC001772707866 1157845296 /nfs/dbraw/zinc/84/52/96/1157845296.db2.gz WGIURFQHZHXGBY-WMLDXEAASA-N 1 0 303.406 0.756 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(C(F)(F)F)n[nH]1)C2 ZINC001704307438 1179968214 /nfs/dbraw/zinc/96/82/14/1179968214.db2.gz ZGVQYLQIAOHLLG-IUCAKERBSA-N 1 0 318.299 0.831 50 0 DCAARO C[NH+]1CCC(O)(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)CC1 ZINC001704342961 1179979803 /nfs/dbraw/zinc/97/98/03/1179979803.db2.gz GWULVJRIFNTWCG-HUUCEWRRSA-N 1 0 319.405 0.212 50 0 DCAARO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N(CCO)Cc1ncc[nH]1 ZINC001704353587 1179983135 /nfs/dbraw/zinc/98/31/35/1179983135.db2.gz PJYWQNJOPQUWQD-HNNXBMFYSA-N 1 0 316.405 0.904 50 0 DCAARO COCCn1ccnc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000824466126 758775481 /nfs/dbraw/zinc/77/54/81/758775481.db2.gz LOSBATNEZOVJNY-UHFFFAOYSA-N 1 0 308.426 0.826 50 0 DCAARO Cc1cnccc1C(=O)NCC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000826829150 758846374 /nfs/dbraw/zinc/84/63/74/758846374.db2.gz LACAXPUXPVELGI-LBPRGKRZSA-N 1 0 304.394 0.706 50 0 DCAARO CC(C)(O)Cn1ncnc1-c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000827523349 758866549 /nfs/dbraw/zinc/86/65/49/758866549.db2.gz LZJCGINBBONARI-PHIMTYICSA-N 1 0 305.386 0.750 50 0 DCAARO Cc1nncn1CC[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000827968426 758904956 /nfs/dbraw/zinc/90/49/56/758904956.db2.gz VPWSZTDISNQARP-UHFFFAOYSA-N 1 0 307.398 0.157 50 0 DCAARO C[C@@H](CN(C)CCO)[NH2+]CCn1[nH]c(=O)c2ccccc2c1=O ZINC000828757333 759100794 /nfs/dbraw/zinc/10/07/94/759100794.db2.gz VWOLDOOHNYMDKX-LBPRGKRZSA-N 1 0 320.393 0.004 50 0 DCAARO CS[C@H](C)C(=O)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000952863574 768915209 /nfs/dbraw/zinc/91/52/09/768915209.db2.gz USZYEKIEVKCITL-CYBMUJFWSA-N 1 0 315.483 0.339 50 0 DCAARO CNS(=O)(=O)CCNC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000952869610 768926402 /nfs/dbraw/zinc/92/64/02/768926402.db2.gz WQQQRWOTLOEJTO-UHFFFAOYSA-N 1 0 317.455 0.451 50 0 DCAARO CN(C)c1nccnc1N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC001529106533 1014496260 /nfs/dbraw/zinc/49/62/60/1014496260.db2.gz PYEAXYAOTMRWDW-AWEZNQCLSA-N 1 0 305.426 0.826 50 0 DCAARO CCN(C)c1cc(NCCC[NH+]2CCC(C(N)=O)CC2)ncn1 ZINC001529174327 1014513496 /nfs/dbraw/zinc/51/34/96/1014513496.db2.gz UBNDJZXKGHLIAE-UHFFFAOYSA-N 1 0 320.441 0.932 50 0 DCAARO CN(C)C(=O)c1cccc(N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)n1 ZINC001506401486 1017254487 /nfs/dbraw/zinc/25/44/87/1017254487.db2.gz FGHVSGQDBHTXBH-KBPBESRZSA-N 1 0 304.394 0.429 50 0 DCAARO O=C1CN(CCC[NH2+][C@@H]2CCN(c3ccccc3)C2)CCN1 ZINC001506424280 1017267223 /nfs/dbraw/zinc/26/72/23/1017267223.db2.gz KEOJYOYMPGQWHQ-OAHLLOKOSA-N 1 0 302.422 0.677 50 0 DCAARO CN(C)C(=O)c1cccc(N2CCOC[C@@H](C[NH+](C)C)C2)n1 ZINC001506421060 1017265225 /nfs/dbraw/zinc/26/52/25/1017265225.db2.gz DWBMDZATYYBJDC-ZDUSSCGKSA-N 1 0 306.410 0.798 50 0 DCAARO CC[N@@H+]1CCN(C(=O)Cn2cccc(OC)c2=O)CC1(C)C ZINC000095501371 185375080 /nfs/dbraw/zinc/37/50/80/185375080.db2.gz DYDYQBYEPQGDDG-UHFFFAOYSA-N 1 0 307.394 0.800 50 0 DCAARO O=C(CN1C[C@@H]2CC[C@H](CC1=O)[NH2+]2)N1CCc2sccc2C1 ZINC000095520111 185377235 /nfs/dbraw/zinc/37/72/35/185377235.db2.gz HMBIBDWFTLXTDV-OLZOCXBDSA-N 1 0 319.430 0.986 50 0 DCAARO CNS(=O)(=O)CCC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000095453116 185369493 /nfs/dbraw/zinc/36/94/93/185369493.db2.gz GMHWBLKQSMVFDV-UHFFFAOYSA-N 1 0 313.423 0.174 50 0 DCAARO NC(=O)CN1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000095460385 185370590 /nfs/dbraw/zinc/37/05/90/185370590.db2.gz NPPYAUDXRWWYCI-MBNYWOFBSA-N 1 0 315.508 0.905 50 0 DCAARO O=C(CNC(=O)NCc1ccc(F)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000170048137 197766777 /nfs/dbraw/zinc/76/67/77/197766777.db2.gz ABIVDURISXBAHE-CYBMUJFWSA-N 1 0 322.384 0.741 50 0 DCAARO Cc1nc2n(n1)C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)CC2 ZINC000069820346 190825125 /nfs/dbraw/zinc/82/51/25/190825125.db2.gz NBNAEDXMGOOEOI-ZDUSSCGKSA-N 1 0 320.418 0.965 50 0 DCAARO CC(C)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000236676792 201960161 /nfs/dbraw/zinc/96/01/61/201960161.db2.gz WNKDNXDXOCBPJK-OLZOCXBDSA-N 1 0 320.389 0.574 50 0 DCAARO O=C(c1ccc(=O)[nH]c1)N1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 ZINC000071708085 191011279 /nfs/dbraw/zinc/01/12/79/191011279.db2.gz CSGDCXKVOOGVCP-HUUCEWRRSA-N 1 0 319.405 0.826 50 0 DCAARO Cc1ccccc1OC1CN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000071754018 191024106 /nfs/dbraw/zinc/02/41/06/191024106.db2.gz ZLLDOEQEODWLMG-UHFFFAOYSA-N 1 0 301.350 0.449 50 0 DCAARO O=c1[nH]cnc2c1CCN(Cc1cc3n(n1)CCC[NH2+]C3)CC2 ZINC000072125435 191041160 /nfs/dbraw/zinc/04/11/60/191041160.db2.gz SSKLMCUTAUIUEA-UHFFFAOYSA-N 1 0 314.393 0.061 50 0 DCAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCn2ccccc2=O)C1 ZINC000072148166 191054539 /nfs/dbraw/zinc/05/45/39/191054539.db2.gz HLOSFUUBQVQUAW-MRXNPFEDSA-N 1 0 307.394 0.154 50 0 DCAARO C[NH+](C)C[C@@H]1CN(CC(=O)N2CCc3ccccc32)CCO1 ZINC000072267641 191091550 /nfs/dbraw/zinc/09/15/50/191091550.db2.gz LIFFOYXWKRHLBE-OAHLLOKOSA-N 1 0 303.406 0.838 50 0 DCAARO CC[C@@H]1CN(Cc2nc(CCOC)no2)CC[N@@H+]1C[C@@H](C)O ZINC000072279821 191102027 /nfs/dbraw/zinc/10/20/27/191102027.db2.gz WGAMWMKEWXIOPE-CHWSQXEVSA-N 1 0 312.414 0.536 50 0 DCAARO C[C@H](c1nnnn1C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000253395275 186304270 /nfs/dbraw/zinc/30/42/70/186304270.db2.gz VYIRQCQYQXCCPA-CQSZACIVSA-N 1 0 321.473 0.621 50 0 DCAARO C[C@@H](c1nnnn1C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000253395271 186304477 /nfs/dbraw/zinc/30/44/77/186304477.db2.gz VYIRQCQYQXCCPA-AWEZNQCLSA-N 1 0 321.473 0.621 50 0 DCAARO Cc1ncc2c(c1CNC(=O)[C@@H](C)N1CCCC1=O)CC[NH2+]C2 ZINC000072425186 191160349 /nfs/dbraw/zinc/16/03/49/191160349.db2.gz WEIOZGGIVFTYBZ-GFCCVEGCSA-N 1 0 316.405 0.663 50 0 DCAARO Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000005529311 181253675 /nfs/dbraw/zinc/25/36/75/181253675.db2.gz WOJQMSUKFOCGGE-QMMMGPOBSA-N 1 0 309.351 0.471 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000237112771 202157926 /nfs/dbraw/zinc/15/79/26/202157926.db2.gz WQFMGXYSHBUMFI-ZJUUUORDSA-N 1 0 307.316 0.608 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000237155746 202170953 /nfs/dbraw/zinc/17/09/53/202170953.db2.gz VUVLJIKLDWPCGK-VIFPVBQESA-N 1 0 306.819 0.754 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000237350443 202241842 /nfs/dbraw/zinc/24/18/42/202241842.db2.gz MMKZFBAOTNFHDB-FZKGZDJFSA-N 1 0 323.418 0.428 50 0 DCAARO Cc1cc(C)c2c(OCC(=O)N3CC[C@H]([NH3+])C3)nn(C)c2n1 ZINC000237619090 202308029 /nfs/dbraw/zinc/30/80/29/202308029.db2.gz TVEVSSNUMRPUFJ-NSHDSACASA-N 1 0 303.366 0.524 50 0 DCAARO Cn1c(CCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)nc2ccccc21 ZINC000237729262 202341467 /nfs/dbraw/zinc/34/14/67/202341467.db2.gz LRFMFCZMIPJRCT-AAEUAGOBSA-N 1 0 302.378 0.345 50 0 DCAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(c2ccnc(N)n2)C1 ZINC000091830259 193114802 /nfs/dbraw/zinc/11/48/02/193114802.db2.gz MPQPYDZZISPPSY-OLZOCXBDSA-N 1 0 309.414 0.072 50 0 DCAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(N(C)C)C2=O)cc1OC ZINC000020387718 182213913 /nfs/dbraw/zinc/21/39/13/182213913.db2.gz KHNAOEVGILNIHZ-LBPRGKRZSA-N 1 0 321.377 0.440 50 0 DCAARO O=C(Cn1ncc2ccsc2c1=O)NCC[NH+]1CCCC1 ZINC000020860125 182249971 /nfs/dbraw/zinc/24/99/71/182249971.db2.gz SKGXHTJQKYGIRE-UHFFFAOYSA-N 1 0 306.391 0.670 50 0 DCAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+]C(C)(C)CO ZINC000040162329 183042223 /nfs/dbraw/zinc/04/22/23/183042223.db2.gz JAUCUOVXVJYOCB-CYBMUJFWSA-N 1 0 311.378 0.998 50 0 DCAARO COc1cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc2c1OCO2 ZINC000042187535 183238885 /nfs/dbraw/zinc/23/88/85/183238885.db2.gz FMEPWBNPZHPWNS-JTQLQIEISA-N 1 0 313.375 0.948 50 0 DCAARO CCC[NH+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000044889978 183447919 /nfs/dbraw/zinc/44/79/19/183447919.db2.gz UASPQHKYABHFGJ-UHFFFAOYSA-N 1 0 315.377 0.346 50 0 DCAARO CNC(=O)NC(=O)[C@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC000058134613 184079428 /nfs/dbraw/zinc/07/94/28/184079428.db2.gz WTMDAKCUKLYFDX-LBPRGKRZSA-N 1 0 324.450 0.752 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCC(=O)NC(C)C ZINC000058406109 184113596 /nfs/dbraw/zinc/11/35/96/184113596.db2.gz JPKPPGHLGMZTKH-UHFFFAOYSA-N 1 0 323.441 0.569 50 0 DCAARO Cc1cc(C(=O)N2CCN3CC[N@H+](C)C[C@@H]3C2)c(=O)n(C)c1C ZINC000065373412 184330512 /nfs/dbraw/zinc/33/05/12/184330512.db2.gz DDFDEKHPVBVYRS-CQSZACIVSA-N 1 0 318.421 0.074 50 0 DCAARO CC(=O)Nn1c(C)cc(CN2CCN3CC[N@@H+](C)C[C@@H]3C2)c1C ZINC000065407382 184339183 /nfs/dbraw/zinc/33/91/83/184339183.db2.gz ZSPIIEBXSOIWKN-QGZVFWFLSA-N 1 0 319.453 0.627 50 0 DCAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)c1ncccc1OC ZINC000065430639 184343979 /nfs/dbraw/zinc/34/39/79/184343979.db2.gz IOBDGBJXWWBTGO-MNOVXSKESA-N 1 0 307.350 0.408 50 0 DCAARO CN1CCN2CC[N@H+](CCOCc3ccccc3)C[C@@H]2C1=O ZINC000065399329 184336756 /nfs/dbraw/zinc/33/67/56/184336756.db2.gz HUJRGRUJFSYJAU-MRXNPFEDSA-N 1 0 303.406 0.661 50 0 DCAARO C[NH+]1CCN(CCNC(=O)/C=C/c2ccc3c(c2)CCO3)CC1 ZINC000065588065 184369248 /nfs/dbraw/zinc/36/92/48/184369248.db2.gz UPZQEBNYFOBEBS-HWKANZROSA-N 1 0 315.417 0.998 50 0 DCAARO C[NH+](C)[C@@H](CNC(=O)C1=NNC(=O)CC1)c1cccc(F)c1 ZINC000065608190 184372222 /nfs/dbraw/zinc/37/22/22/184372222.db2.gz JRQSYKVLRJAHDO-ZDUSSCGKSA-N 1 0 306.341 0.811 50 0 DCAARO O=S(=O)(c1cccc(CNC2=[NH+]CCN2)c1)N1CCCCC1 ZINC000066246315 184398217 /nfs/dbraw/zinc/39/82/17/184398217.db2.gz JEANSZFGVCMJJP-UHFFFAOYSA-N 1 0 322.434 0.910 50 0 DCAARO CCc1noc(C)c1C(=O)N1C[C@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067787285 184485783 /nfs/dbraw/zinc/48/57/83/184485783.db2.gz FCKZKNYAJFWHSD-PWSUYJOCSA-N 1 0 308.382 0.612 50 0 DCAARO COc1ccnc(N2CCN(C(=O)CCCC[NH+](C)C)CC2)n1 ZINC000069389892 184511956 /nfs/dbraw/zinc/51/19/56/184511956.db2.gz PSCXHYGXGJNPII-UHFFFAOYSA-N 1 0 321.425 0.866 50 0 DCAARO C[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)c(F)cc2F)CC[NH2+]1 ZINC000237645913 257238515 /nfs/dbraw/zinc/23/85/15/257238515.db2.gz BSGAQBJTCPFJFJ-SECBINFHSA-N 1 0 324.331 0.928 50 0 DCAARO CCn1cc(CNC(=O)N2CCC[C@@](CO)(C[NH+](C)C)C2)cn1 ZINC000426646971 257245123 /nfs/dbraw/zinc/24/51/23/257245123.db2.gz FHHMIIRAQBSBJA-MRXNPFEDSA-N 1 0 323.441 0.749 50 0 DCAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1cccn2cnnc12 ZINC000426612349 257245141 /nfs/dbraw/zinc/24/51/41/257245141.db2.gz IHWKRMAREJSFAR-STQMWFEESA-N 1 0 318.381 0.958 50 0 DCAARO Cc1ccc(CNC(=O)N2CCCN([C@H]3COC[C@@H]3O)CC2)o1 ZINC000426580704 257246135 /nfs/dbraw/zinc/24/61/35/257246135.db2.gz IHEHWAIMZDWZFB-GJZGRUSLSA-N 1 0 323.393 0.565 50 0 DCAARO Cc1cnc(CNC(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)cn1 ZINC000426533639 257247601 /nfs/dbraw/zinc/24/76/01/257247601.db2.gz AMNNJQOIZRZINS-CYBMUJFWSA-N 1 0 314.393 0.765 50 0 DCAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3nc[nH]n3)CC2)C1 ZINC000426487964 257249076 /nfs/dbraw/zinc/24/90/76/257249076.db2.gz IRAXEVUPPMQYCZ-CYBMUJFWSA-N 1 0 306.414 0.574 50 0 DCAARO Cc1nc[nH]c1CNC(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426398043 257252119 /nfs/dbraw/zinc/25/21/19/257252119.db2.gz KULMZFSJPMPXEK-LBPRGKRZSA-N 1 0 302.382 0.698 50 0 DCAARO C[C@H](NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)C(N)=O ZINC000426382858 257252500 /nfs/dbraw/zinc/25/25/00/257252500.db2.gz CFPQAUTXZTXYGA-ZDUSSCGKSA-N 1 0 318.421 0.823 50 0 DCAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000008429093 395684623 /nfs/dbraw/zinc/68/46/23/395684623.db2.gz TYLGDHGSPGYSOM-HOCLYGCPSA-N 1 0 321.421 0.686 50 0 DCAARO C[NH+](C)CCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000010111606 395685998 /nfs/dbraw/zinc/68/59/98/395685998.db2.gz PSWYBGBSTBZZFS-UHFFFAOYSA-N 1 0 317.386 0.270 50 0 DCAARO C[NH+](C)CCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012918029 395688115 /nfs/dbraw/zinc/68/81/15/395688115.db2.gz BSLLVAJPOLVUKW-UHFFFAOYSA-N 1 0 300.384 0.407 50 0 DCAARO COc1cccc2c1OC[C@@H]([NH2+]CCSc1nnnn1C)C2 ZINC000014971833 395689745 /nfs/dbraw/zinc/68/97/45/395689745.db2.gz MVOCKDABUSBBDN-NSHDSACASA-N 1 0 321.406 0.904 50 0 DCAARO COc1ccc(COC[C@H](O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000000118999 395679848 /nfs/dbraw/zinc/67/98/48/395679848.db2.gz PQCBOAUDHMHJNI-OAHLLOKOSA-N 1 0 322.405 0.770 50 0 DCAARO O=C(CN1CC[NH+](C[C@H](O)C2CC2)CC1)Nc1nccs1 ZINC000085436843 395700246 /nfs/dbraw/zinc/70/02/46/395700246.db2.gz LTSPRNCAMJCBFM-LBPRGKRZSA-N 1 0 310.423 0.470 50 0 DCAARO Cc1ccc(S(=O)(=O)N(C)C[C@H](O)C[NH2+]C(C)C)cc1 ZINC000031903753 395708652 /nfs/dbraw/zinc/70/86/52/395708652.db2.gz CRQULWQERGQJDX-CYBMUJFWSA-N 1 0 300.424 0.974 50 0 DCAARO C[N@H+](CC(=O)NCC(=O)NCc1ccco1)[C@@H]1CCSC1 ZINC000089337142 395709756 /nfs/dbraw/zinc/70/97/56/395709756.db2.gz ISAJKEZVXSBKIB-LLVKDONJSA-N 1 0 311.407 0.449 50 0 DCAARO O=S(=O)(NCC[NH+]1CCCCC1)c1cccc2nonc21 ZINC000032578447 395711562 /nfs/dbraw/zinc/71/15/62/395711562.db2.gz XTRHWAPMMKKFKW-UHFFFAOYSA-N 1 0 310.379 0.987 50 0 DCAARO Cc1nn(C)c(C)c1CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000089505724 395712607 /nfs/dbraw/zinc/71/26/07/395712607.db2.gz IEKSBWHLPOVXPY-CVEARBPZSA-N 1 0 320.437 0.637 50 0 DCAARO COc1cc(C[NH2+]CCS(C)(=O)=O)cc2c1OCCO2 ZINC000037741001 395729139 /nfs/dbraw/zinc/72/91/39/395729139.db2.gz GCJDWVAMPVTKTD-UHFFFAOYSA-N 1 0 301.364 0.601 50 0 DCAARO CCNC(=O)CC[N@@H+]1CC[C@@H](N(Cc2noc(C)n2)C(C)=O)C1 ZINC000095402379 395740354 /nfs/dbraw/zinc/74/03/54/395740354.db2.gz RINXCFCSICTLBL-CYBMUJFWSA-N 1 0 323.397 0.327 50 0 DCAARO Cc1ncc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]1 ZINC000096153568 395746616 /nfs/dbraw/zinc/74/66/16/395746616.db2.gz YBAQBSXUPHXWLY-PHIMTYICSA-N 1 0 308.382 0.307 50 0 DCAARO Cn1ncc(OC[C@H](O)C[NH+]2CCCCC2)c(Cl)c1=O ZINC000096028157 395741091 /nfs/dbraw/zinc/74/10/91/395741091.db2.gz NJGIMLYDFQZRPV-SNVBAGLBSA-N 1 0 301.774 0.659 50 0 DCAARO O=C(c1cnc(Nc2ccccc2)nc1)N1CC[NH2+]C[C@H](O)C1 ZINC000097475018 395758168 /nfs/dbraw/zinc/75/81/68/395758168.db2.gz TZOPVMQJMRKPNG-AWEZNQCLSA-N 1 0 313.361 0.627 50 0 DCAARO COCC(=O)N1CC[N@@H+](C2Cc3ccccc3C2)C[C@H](O)C1 ZINC000097413242 395757380 /nfs/dbraw/zinc/75/73/80/395757380.db2.gz QKWIBTLAJRBECN-INIZCTEOSA-N 1 0 304.390 0.305 50 0 DCAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000106781848 395783817 /nfs/dbraw/zinc/78/38/17/395783817.db2.gz IVUPHMJIGQIGRA-MGPQQGTHSA-N 1 0 319.409 0.353 50 0 DCAARO NC(=O)c1cccc(N2CCC3(CC[NH2+]C[C@H]3CO)CC2)n1 ZINC000097601040 395759066 /nfs/dbraw/zinc/75/90/66/395759066.db2.gz GYCZUTOIICVMEJ-LBPRGKRZSA-N 1 0 304.394 0.369 50 0 DCAARO Cc1nc2ncccn2c1C(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000097732956 395760499 /nfs/dbraw/zinc/76/04/99/395760499.db2.gz USYFQBDJZUDIDA-CYBMUJFWSA-N 1 0 317.393 0.614 50 0 DCAARO Cc1ccnn1CCNc1c(=O)c(=O)c1NCCC[NH+](C)C ZINC000101678360 395766590 /nfs/dbraw/zinc/76/65/90/395766590.db2.gz TUOFOWVGQBHSKF-UHFFFAOYSA-N 1 0 305.382 0.263 50 0 DCAARO O=C(CN1CCN(Cc2ccoc2)C[C@H](O)C1)N1CCCCC1 ZINC000225326457 395859487 /nfs/dbraw/zinc/85/94/87/395859487.db2.gz MLRRCXYUERLTEL-INIZCTEOSA-N 1 0 321.421 0.771 50 0 DCAARO CNC(=O)CCCNc1cc(C2CC([NH3+])C2)nc(COC)n1 ZINC000219738563 395846437 /nfs/dbraw/zinc/84/64/37/395846437.db2.gz MVOOBLHANYMQHH-UHFFFAOYSA-N 1 0 307.398 0.766 50 0 DCAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1ncc[nH]1)C2 ZINC000221442230 395851188 /nfs/dbraw/zinc/85/11/88/395851188.db2.gz FPLUJLHYXKVNIA-CQSZACIVSA-N 1 0 304.398 0.607 50 0 DCAARO CC(C)(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc2c(c1)OCO2 ZINC000236677898 395896227 /nfs/dbraw/zinc/89/62/27/395896227.db2.gz HKEHHVVMOOIHOD-RYUDHWBXSA-N 1 0 306.362 0.532 50 0 DCAARO C[C@H](NC(=O)CC[NH+]1CCN(CCO)CC1)c1ccccc1 ZINC000054424023 395899730 /nfs/dbraw/zinc/89/97/30/395899730.db2.gz URDUVJKTFHMINU-HNNXBMFYSA-N 1 0 305.422 0.864 50 0 DCAARO CN1CCO[C@H](C[NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000229542945 395874638 /nfs/dbraw/zinc/87/46/38/395874638.db2.gz SPAXYPUKEAVQDT-QLFBSQMISA-N 1 0 311.426 0.077 50 0 DCAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)C[C@H](C)O1 ZINC000229476339 395874643 /nfs/dbraw/zinc/87/46/43/395874643.db2.gz LNZZAZUYWLYDNH-QLFBSQMISA-N 1 0 321.425 0.626 50 0 DCAARO C[C@H](OC[C@H]1CCCCO1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000229576712 395875541 /nfs/dbraw/zinc/87/55/41/395875541.db2.gz YKRYWBWQKKPVHX-RRFJBIMHSA-N 1 0 313.442 0.323 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCOCC1 ZINC000229560379 395875865 /nfs/dbraw/zinc/87/58/65/395875865.db2.gz ZEPJAFJQOOIMOY-NUEKZKHPSA-N 1 0 323.437 0.709 50 0 DCAARO O=c1[nH]c2ccccc2c(=O)n1CCCC[NH+]1CCOCC1 ZINC000053086525 395876147 /nfs/dbraw/zinc/87/61/47/395876147.db2.gz QRGJKVKTVPOZIE-UHFFFAOYSA-N 1 0 303.362 0.802 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C)CC1 ZINC000229918160 395876439 /nfs/dbraw/zinc/87/64/39/395876439.db2.gz RXWLVHSKOMDYBK-GOEBONIOSA-N 1 0 305.426 0.368 50 0 DCAARO NC(=O)c1cnc(N2C[C@@H]([NH+]3CCCC3)[C@@H](O)C2)c(Cl)c1 ZINC000230163733 395878570 /nfs/dbraw/zinc/87/85/70/395878570.db2.gz MNMNEPSEBHAWAO-NEPJUHHUSA-N 1 0 310.785 0.479 50 0 DCAARO C[N@@H+]1CCCN(C(=O)NC2CCN(c3ncccn3)CC2)CC1 ZINC000065415599 395992939 /nfs/dbraw/zinc/99/29/39/395992939.db2.gz SVUPFMYARWDSBX-UHFFFAOYSA-N 1 0 318.425 0.793 50 0 DCAARO C[C@H](CNC(=O)NC1CCN(c2ncccn2)CC1)[NH+](C)C ZINC000065439728 395993441 /nfs/dbraw/zinc/99/34/41/395993441.db2.gz FKCWBLRJYJKPJJ-GFCCVEGCSA-N 1 0 306.414 0.695 50 0 DCAARO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000253377910 396026303 /nfs/dbraw/zinc/02/63/03/396026303.db2.gz YNYBKVLBNFJRLR-HZSPNIEDSA-N 1 0 307.398 0.426 50 0 DCAARO COCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1CO ZINC000253410738 396027030 /nfs/dbraw/zinc/02/70/30/396027030.db2.gz NRLJMHDFNKORIA-DZGCQCFKSA-N 1 0 308.378 0.251 50 0 DCAARO Cc1cc(=O)n(CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(=O)[nH]1 ZINC000253537355 396030686 /nfs/dbraw/zinc/03/06/86/396030686.db2.gz QOZHIPJQDLSJLA-LBPRGKRZSA-N 1 0 303.366 0.860 50 0 DCAARO CN1C(=O)[C@@H](Cc2nc(CC3CC[NH+](C)CC3)no2)N(C)C1=O ZINC000067714132 396031733 /nfs/dbraw/zinc/03/17/33/396031733.db2.gz MHGKKBROKYCABV-LLVKDONJSA-N 1 0 321.381 0.389 50 0 DCAARO O=S(=O)(c1cccc2nonc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067770077 396033455 /nfs/dbraw/zinc/03/34/55/396033455.db2.gz LNRMUVFNGAUMGJ-CQSZACIVSA-N 1 0 322.390 0.987 50 0 DCAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]CCO)C2=O)c1 ZINC000067909576 396038792 /nfs/dbraw/zinc/03/87/92/396038792.db2.gz ZEDQZOMHXQOQNV-MRXNPFEDSA-N 1 0 308.378 0.131 50 0 DCAARO CCn1ncnc1CN1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067947571 396039832 /nfs/dbraw/zinc/03/98/32/396039832.db2.gz DQSYHKNJZPMHCL-UHFFFAOYSA-N 1 0 306.458 0.900 50 0 DCAARO CS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000068525194 396058370 /nfs/dbraw/zinc/05/83/70/396058370.db2.gz OHQPNOGOFGALFZ-LBPRGKRZSA-N 1 0 317.455 0.449 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]CC(=O)Nc1cc(C)no1)CC2 ZINC000069652278 396086310 /nfs/dbraw/zinc/08/63/10/396086310.db2.gz LZPQSFNONQGPIU-SNVBAGLBSA-N 1 0 304.354 0.680 50 0 DCAARO COc1cccc(CN(C)C(=O)C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000069738533 396088280 /nfs/dbraw/zinc/08/82/80/396088280.db2.gz HRELNVMJMFLMPB-MRXNPFEDSA-N 1 0 321.421 0.574 50 0 DCAARO COc1cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc(OC)c1 ZINC000169756845 396091060 /nfs/dbraw/zinc/09/10/60/396091060.db2.gz CDFVNBBTQFSLLS-OKILXGFUSA-N 1 0 304.346 0.750 50 0 DCAARO COC[C@H]1CN(C(=O)c2cc(C)n(C)n2)CC12CC[NH2+]CC2 ZINC000169782372 396091702 /nfs/dbraw/zinc/09/17/02/396091702.db2.gz CQIDAQDJJFKIJE-CYBMUJFWSA-N 1 0 306.410 0.817 50 0 DCAARO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2Cn2cncn2)C1=O ZINC000069920036 396094221 /nfs/dbraw/zinc/09/42/21/396094221.db2.gz OJXXWZQDMAFYBS-LLVKDONJSA-N 1 0 306.370 0.073 50 0 DCAARO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069930120 396095574 /nfs/dbraw/zinc/09/55/74/396095574.db2.gz VFJWRUCQWOJQLM-CQSZACIVSA-N 1 0 317.397 0.135 50 0 DCAARO Cc1ccc2nc(C[NH2+][C@@H]3CCc4ncnn4C3)cc(=O)n2c1 ZINC000069949726 396096487 /nfs/dbraw/zinc/09/64/87/396096487.db2.gz PBYUGPKZYPTEAG-GFCCVEGCSA-N 1 0 310.361 0.699 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000070036382 396098130 /nfs/dbraw/zinc/09/81/30/396098130.db2.gz NZGGYERQOISOST-IAQYHMDHSA-N 1 0 300.349 0.997 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071799282 396115358 /nfs/dbraw/zinc/11/53/58/396115358.db2.gz CANZCRXMVDPRNF-CYBMUJFWSA-N 1 0 300.428 0.839 50 0 DCAARO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CC(N)=O ZINC000071822574 396116872 /nfs/dbraw/zinc/11/68/72/396116872.db2.gz VYNQDDWHCUUPPU-DZGCQCFKSA-N 1 0 318.421 0.183 50 0 DCAARO C[C@H]1C[N@@H+](C2CCN(c3ccc4nnnn4n3)CC2)CCO1 ZINC000071821710 396117084 /nfs/dbraw/zinc/11/70/84/396117084.db2.gz SSOLORVUSYJONZ-NSHDSACASA-N 1 0 303.370 0.209 50 0 DCAARO O=C(NCCc1cccnc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000071856604 396118500 /nfs/dbraw/zinc/11/85/00/396118500.db2.gz LLAUBHNATRJRIJ-HUUCEWRRSA-N 1 0 304.394 0.787 50 0 DCAARO CC[C@@H]1CN(CC(=O)NCC(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000071864655 396119318 /nfs/dbraw/zinc/11/93/18/396119318.db2.gz UYPNRTYUCDYNGY-GHMZBOCLSA-N 1 0 311.348 0.442 50 0 DCAARO O=C(C[NH2+]C[C@@H]1CCCN1c1cccnn1)NCc1ccco1 ZINC000071859841 396119548 /nfs/dbraw/zinc/11/95/48/396119548.db2.gz CNFCGEBOBYFSEA-ZDUSSCGKSA-N 1 0 315.377 0.944 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(Cc2cn(-c3ccccc3)nn2)CC1 ZINC000071877384 396121690 /nfs/dbraw/zinc/12/16/90/396121690.db2.gz MVAPTCNHKDOYNJ-CQSZACIVSA-N 1 0 301.394 0.766 50 0 DCAARO Cc1cc(C)n(C2CN(C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC000071880795 396122182 /nfs/dbraw/zinc/12/21/82/396122182.db2.gz WFRDOKNUESYDPS-HLLBOEOZSA-N 1 0 322.453 0.827 50 0 DCAARO Cc1cnn(CC[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000072253137 396127036 /nfs/dbraw/zinc/12/70/36/396127036.db2.gz QOLSJNCLYGTQIT-GJZGRUSLSA-N 1 0 306.410 0.951 50 0 DCAARO Cc1cnn(CC[NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000072253138 396127365 /nfs/dbraw/zinc/12/73/65/396127365.db2.gz QOLSJNCLYGTQIT-LSDHHAIUSA-N 1 0 306.410 0.951 50 0 DCAARO CN(C1CCOCC1)S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000072292498 396129813 /nfs/dbraw/zinc/12/98/13/396129813.db2.gz CILAPZVTUYFQKM-CYBMUJFWSA-N 1 0 303.428 0.122 50 0 DCAARO C[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)[NH+]1CCCC1 ZINC000069529415 396081809 /nfs/dbraw/zinc/08/18/09/396081809.db2.gz WDMNCSJIESQITE-LBPRGKRZSA-N 1 0 300.366 0.876 50 0 DCAARO Cc1nc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)sc1C ZINC000074221538 396160581 /nfs/dbraw/zinc/16/05/81/396160581.db2.gz PMXQMPPHHBHAAJ-GFCCVEGCSA-N 1 0 324.450 0.786 50 0 DCAARO C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1Cc1nccn1C ZINC000075132002 396176875 /nfs/dbraw/zinc/17/68/75/396176875.db2.gz QCSLQIRTUHZUKY-CABCVRRESA-N 1 0 307.442 0.257 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]2C)CC1 ZINC000076055847 396195124 /nfs/dbraw/zinc/19/51/24/396195124.db2.gz SBGNEVQJFNBQJB-CXAGYDPISA-N 1 0 317.437 0.769 50 0 DCAARO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000280362162 396196262 /nfs/dbraw/zinc/19/62/62/396196262.db2.gz YEPUNYUTXWUXTF-LLVKDONJSA-N 1 0 319.327 0.775 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH3+])C2)ccc1F ZINC000178544241 396198253 /nfs/dbraw/zinc/19/82/53/396198253.db2.gz ZGZBHIBCTSVANG-SECBINFHSA-N 1 0 315.370 0.155 50 0 DCAARO CC(C)c1nc(CN(C)[C@H]2CC[N@H+](CCn3cncn3)C2)no1 ZINC000078891745 396255869 /nfs/dbraw/zinc/25/58/69/396255869.db2.gz DNHUMBRFAMYQTI-ZDUSSCGKSA-N 1 0 319.413 0.991 50 0 DCAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCCN2CCCCC2=O)C1 ZINC000584894685 396634490 /nfs/dbraw/zinc/63/44/90/396634490.db2.gz YHQZLYKWHKNMGL-AWEZNQCLSA-N 1 0 311.426 0.614 50 0 DCAARO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000585136539 396641513 /nfs/dbraw/zinc/64/15/13/396641513.db2.gz KCHRCXOXPDSIPJ-CABCVRRESA-N 1 0 324.425 0.400 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000606441549 397681307 /nfs/dbraw/zinc/68/13/07/397681307.db2.gz LDECDEMSOLUYNY-IRBQFCFKSA-N 1 0 323.418 0.415 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000134174796 158324332 /nfs/dbraw/zinc/32/43/32/158324332.db2.gz NWNFSAJMNLHONO-ZJUUUORDSA-N 1 0 307.316 0.608 50 0 DCAARO C[C@H]1NC(=O)[C@H]2CN(Cc3ccccc3Cl)CCN2C1=O ZINC000014533647 415151101 /nfs/dbraw/zinc/15/11/01/415151101.db2.gz YIYPXKULHBJREY-ZWNOBZJWSA-N 1 0 307.781 0.871 50 0 DCAARO C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc[nH]c2=O)C[C@H](C)O1 ZINC000021063425 415154742 /nfs/dbraw/zinc/15/47/42/415154742.db2.gz PMAMMHFUOMBRGR-TXEJJXNPSA-N 1 0 307.394 0.993 50 0 DCAARO C[NH+]1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1 ZINC000004033631 415130458 /nfs/dbraw/zinc/13/04/58/415130458.db2.gz FESXEPQLEPYLGZ-UHFFFAOYSA-N 1 0 318.352 0.476 50 0 DCAARO Cc1cnc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cn1 ZINC000042578935 415210844 /nfs/dbraw/zinc/21/08/44/415210844.db2.gz BUXKPDFVPRIFPT-OAHLLOKOSA-N 1 0 305.426 0.787 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)CCNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC000048428899 415293209 /nfs/dbraw/zinc/29/32/09/415293209.db2.gz VTWHYZIEUHASAB-KBPBESRZSA-N 1 0 311.426 0.329 50 0 DCAARO C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000069374198 415400443 /nfs/dbraw/zinc/40/04/43/415400443.db2.gz SBOJXUHRGXPQFQ-SWLSCSKDSA-N 1 0 323.418 0.998 50 0 DCAARO CC[C@H](C(=O)N1CCCN(CC[NH+](C)C)CC1)N1CCCC1=O ZINC000072307121 415416360 /nfs/dbraw/zinc/41/63/60/415416360.db2.gz XHZNIOMGUMTSCE-OAHLLOKOSA-N 1 0 324.469 0.483 50 0 DCAARO [NH3+][C@H](CO)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 ZINC000067604568 415378261 /nfs/dbraw/zinc/37/82/61/415378261.db2.gz IZRKYCKRNXDNEJ-GFCCVEGCSA-N 1 0 322.315 0.559 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)COc1ccccc1OC ZINC000067642178 415380281 /nfs/dbraw/zinc/38/02/81/415380281.db2.gz JDAXYPZFNOWYIH-NEPJUHHUSA-N 1 0 321.377 0.138 50 0 DCAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(-n3cnnc3)n1)C2 ZINC000067689012 415384035 /nfs/dbraw/zinc/38/40/35/415384035.db2.gz LGOXYNMIGBEHQP-QWHCGFSZSA-N 1 0 312.377 0.971 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]CC(=O)Nc1cc(C)nn1C)CC2 ZINC000075603590 415449721 /nfs/dbraw/zinc/44/97/21/415449721.db2.gz HCWUJPXZJYXABE-LLVKDONJSA-N 1 0 317.397 0.426 50 0 DCAARO Cc1cccc(N2CC[NH+](CCC(=O)N3CC(O)C3)CC2)c1 ZINC000095380651 415556418 /nfs/dbraw/zinc/55/64/18/415556418.db2.gz VYXVAHPROSAZLO-UHFFFAOYSA-N 1 0 303.406 0.710 50 0 DCAARO C[NH+](C)CCN1C[C@H](C(=O)NCCc2cccnc2)CC1=O ZINC000095386199 415556516 /nfs/dbraw/zinc/55/65/16/415556516.db2.gz BOIHNRMAYFSTLM-CQSZACIVSA-N 1 0 304.394 0.150 50 0 DCAARO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000095972678 415567791 /nfs/dbraw/zinc/56/77/91/415567791.db2.gz HCOMACHXWSXWBT-JTQLQIEISA-N 1 0 318.420 0.202 50 0 DCAARO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000097084463 415580009 /nfs/dbraw/zinc/58/00/09/415580009.db2.gz SCCPGHDSNBTMEL-IUODEOHRSA-N 1 0 319.380 0.789 50 0 DCAARO O=C(c1ccoc1)N1CCC2(CC[NH+](CCO)CC2)[C@H](CO)C1 ZINC000097076318 415581682 /nfs/dbraw/zinc/58/16/82/415581682.db2.gz ORDBZKMYVIDMBV-HNNXBMFYSA-N 1 0 322.405 0.809 50 0 DCAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000097159498 415584352 /nfs/dbraw/zinc/58/43/52/415584352.db2.gz ZYDVUQDNALJZSU-GDBMZVCRSA-N 1 0 308.426 0.853 50 0 DCAARO CCC(O)(CC)C[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000097147516 415586969 /nfs/dbraw/zinc/58/69/69/415586969.db2.gz LPJDFMZYNZWKOC-UHFFFAOYSA-N 1 0 318.483 0.732 50 0 DCAARO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1Cc1nccn1C ZINC000106929559 415656182 /nfs/dbraw/zinc/65/61/82/415656182.db2.gz QCSLQIRTUHZUKY-HUUCEWRRSA-N 1 0 307.442 0.257 50 0 DCAARO C[C@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000107059356 415660236 /nfs/dbraw/zinc/66/02/36/415660236.db2.gz MYCIDNYXIIZUGM-HSMVNMDESA-N 1 0 322.409 0.307 50 0 DCAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000107573323 415669234 /nfs/dbraw/zinc/66/92/34/415669234.db2.gz YXQXCMVCSGFHPF-UPJWGTAASA-N 1 0 317.455 0.451 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)NCCc2cn3cccnc3n2)CC1 ZINC000299755764 416064031 /nfs/dbraw/zinc/06/40/31/416064031.db2.gz DFYHRJNMJQGPAO-UHFFFAOYSA-N 1 0 316.409 0.026 50 0 DCAARO CCc1nnc(CNC(=O)CC[N@H+](C)[C@H]2CCN(C)C2)s1 ZINC000299762186 416064749 /nfs/dbraw/zinc/06/47/49/416064749.db2.gz LTBJMBRJTLPJRH-NSHDSACASA-N 1 0 311.455 0.743 50 0 DCAARO COc1cccc(C(=O)N2C[C@H](O)[C@@H](OC)C2)c1OCCC[NH3+] ZINC000299773012 416065261 /nfs/dbraw/zinc/06/52/61/416065261.db2.gz BTIMZVFHGAJQGG-JSGCOSHPSA-N 1 0 324.377 0.255 50 0 DCAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(N(C)C)nc1 ZINC000299763470 416065280 /nfs/dbraw/zinc/06/52/80/416065280.db2.gz WGKOEZVOLXBKCO-KBPBESRZSA-N 1 0 306.410 0.985 50 0 DCAARO O=C(NCCc1nnc2n1CC[NH2+]CC2)c1ccc(F)cc1 ZINC000299763603 416066157 /nfs/dbraw/zinc/06/61/57/416066157.db2.gz PBEYADYRNHPOIT-UHFFFAOYSA-N 1 0 303.341 0.535 50 0 DCAARO C[N@@H+]1CCN2CCN(C(=O)CCc3cccc(O)c3)C[C@@H]2C1 ZINC000299775116 416066391 /nfs/dbraw/zinc/06/63/91/416066391.db2.gz HFCHEICEVJGXNJ-HNNXBMFYSA-N 1 0 303.406 0.783 50 0 DCAARO O=C(c1ncc[nH]c1=O)N1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000299777265 416066979 /nfs/dbraw/zinc/06/69/79/416066979.db2.gz NWALSQRTRCRQPJ-GFCCVEGCSA-N 1 0 320.393 0.491 50 0 DCAARO Cc1cc(=O)cc(C(=O)NC2CCN(CC[NH+](C)C)CC2)o1 ZINC000299775466 416067974 /nfs/dbraw/zinc/06/79/74/416067974.db2.gz JOQLCGPDTVWJKH-UHFFFAOYSA-N 1 0 307.394 0.704 50 0 DCAARO C[C@H](CNC(=O)Nc1cccc(C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000299789274 416069468 /nfs/dbraw/zinc/06/94/68/416069468.db2.gz ZEALCLZKSZSKIY-GFCCVEGCSA-N 1 0 319.409 0.543 50 0 DCAARO CC(C)Cn1cncc1CNC(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000299793372 416070138 /nfs/dbraw/zinc/07/01/38/416070138.db2.gz IRFNAZYEMKKLNW-AWEZNQCLSA-N 1 0 307.442 0.791 50 0 DCAARO CC(C)(C)[C@@H](NC(=O)C[NH2+]C1CC1)c1nc(-c2nc[nH]n2)no1 ZINC000170593126 416027929 /nfs/dbraw/zinc/02/79/29/416027929.db2.gz MMPZKTNHRQSTIP-JTQLQIEISA-N 1 0 319.369 0.810 50 0 DCAARO CC(C)[NH2+]C[C@H](O)C(=O)N[C@@H](C)[C@H]1COc2ccccc2O1 ZINC000253389830 416334778 /nfs/dbraw/zinc/33/47/78/416334778.db2.gz NOLYDRWVAQOLDK-SLEUVZQESA-N 1 0 308.378 0.690 50 0 biogenic DCAARO CCc1nccc(CN2CCN(c3cnn(C)c(=O)c3)CC2)n1 ZINC000215338260 416326922 /nfs/dbraw/zinc/32/69/22/416326922.db2.gz LWJBTJDEDZYJGD-UHFFFAOYSA-N 1 0 314.393 0.455 50 0 DCAARO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2C[C@@H](O)[C@H](O)C2)c1 ZINC000225533386 416327727 /nfs/dbraw/zinc/32/77/27/416327727.db2.gz DWMPVCWBPDJXJF-RAIGVLPGSA-N 1 0 301.770 0.426 50 0 DCAARO C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H]1C[NH3+] ZINC000237513755 416328392 /nfs/dbraw/zinc/32/83/92/416328392.db2.gz LNZZAFNAHRBZJS-OUAUKWLOSA-N 1 0 321.343 0.983 50 0 DCAARO C[C@H](Cc1cnccn1)[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000243901452 416330360 /nfs/dbraw/zinc/33/03/60/416330360.db2.gz BBORHXVQRNHZHW-GFCCVEGCSA-N 1 0 300.428 0.621 50 0 DCAARO COCc1nc(NCCc2ncnn2C)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244605562 416330405 /nfs/dbraw/zinc/33/04/05/416330405.db2.gz FAWFFKWGGKNJJT-PHIMTYICSA-N 1 0 317.397 0.611 50 0 DCAARO Nc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 ZINC000584887316 416516328 /nfs/dbraw/zinc/51/63/28/416516328.db2.gz UHQKARSHMRGQAK-LBPRGKRZSA-N 1 0 310.423 0.985 50 0 DCAARO Nc1nc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000426526540 416776043 /nfs/dbraw/zinc/77/60/43/416776043.db2.gz YBGPUKGBVPBCGS-UHFFFAOYSA-N 1 0 318.406 1.152 50 0 DCAARO COCCOCC(=O)N1CCC(CCOC)([NH+](C)C)CC1 ZINC000575546750 417540319 /nfs/dbraw/zinc/54/03/19/417540319.db2.gz ULGSBKNTOILQAR-UHFFFAOYSA-N 1 0 302.415 0.609 50 0 DCAARO CC(C)n1cnnc1CN(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000647054323 417978426 /nfs/dbraw/zinc/97/84/26/417978426.db2.gz JBPGDFFGWKKEOM-CYBMUJFWSA-N 1 0 306.414 0.207 50 0 DCAARO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000299742008 229378668 /nfs/dbraw/zinc/37/86/68/229378668.db2.gz AQIDCCPOESLJME-CKYFFXLPSA-N 1 0 310.785 0.153 50 0 DCAARO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1=O ZINC000299752436 229396502 /nfs/dbraw/zinc/39/65/02/229396502.db2.gz UDEIRFMPDGCATQ-MPESAESLSA-N 1 0 313.401 0.826 50 0 DCAARO C[NH+]1CCN(CC[C@H]2CCCCN2C(=O)c2cn[nH]n2)CC1 ZINC000299760090 277106886 /nfs/dbraw/zinc/10/68/86/277106886.db2.gz RCXIMBLOSXOJHA-CYBMUJFWSA-N 1 0 306.414 0.437 50 0 DCAARO CC(C)(C)NC(=O)CC[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299757738 277164657 /nfs/dbraw/zinc/16/46/57/277164657.db2.gz MTJQESSQZBDQJO-QWHCGFSZSA-N 1 0 307.398 0.729 50 0 DCAARO C[NH+](C)C1CN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000241338698 289071650 /nfs/dbraw/zinc/07/16/50/289071650.db2.gz MDBQERPSPUQYSY-GJZGRUSLSA-N 1 0 321.421 0.200 50 0 DCAARO Cc1sc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1S(N)(=O)=O ZINC000153252290 294071022 /nfs/dbraw/zinc/07/10/22/294071022.db2.gz VVUUMIVLDCSKKV-OCAPTIKFSA-N 1 0 317.436 0.526 50 0 DCAARO O=S(=O)(N[C@@H]1CC[NH2+]C[C@H]1O)c1cc2ccccc2s1 ZINC000534670159 334320114 /nfs/dbraw/zinc/32/01/14/334320114.db2.gz GKKBLNFBHYNLFO-GHMZBOCLSA-N 1 0 312.416 0.902 50 0 DCAARO Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)nn1 ZINC000108075651 337383255 /nfs/dbraw/zinc/38/32/55/337383255.db2.gz FAPYZMQGWRUMMQ-LSDHHAIUSA-N 1 0 316.409 0.601 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC[NH2+]1 ZINC000237539412 524529281 /nfs/dbraw/zinc/52/92/81/524529281.db2.gz WHMWATOISIUUKI-NSHDSACASA-N 1 0 316.336 0.806 50 0 DCAARO CCCNc1ncc(C[N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)cn1 ZINC000215794477 545937752 /nfs/dbraw/zinc/93/77/52/545937752.db2.gz HRQWNUITYHWCDF-XGUBFFRZSA-N 1 0 306.410 0.862 50 0 DCAARO CC1CC[NH+](C[C@@H](O)CN2CCC[C@H]2Cn2cncn2)CC1 ZINC000257365386 545975852 /nfs/dbraw/zinc/97/58/52/545975852.db2.gz VBVVFWKVGKKUQQ-JKSUJKDBSA-N 1 0 307.442 0.835 50 0 DCAARO O=C(NCC[N@H+]1CCC[C@H](CO)C1)C1(Cn2ccnc2)CC1 ZINC000670452554 547095636 /nfs/dbraw/zinc/09/56/36/547095636.db2.gz HVEIHSQDBFWBPT-AWEZNQCLSA-N 1 0 306.410 0.484 50 0 DCAARO Cc1cc(C(=O)N2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)on1 ZINC000170048779 563902979 /nfs/dbraw/zinc/90/29/79/563902979.db2.gz NFNINNIMVHYKMY-UHFFFAOYSA-N 1 0 320.393 0.787 50 0 DCAARO Cc1cc2c(cc1C[N@@H+]1C[C@H](O)[C@@H](N3CCOCC3)C1)OCO2 ZINC000022851943 658178975 /nfs/dbraw/zinc/17/89/75/658178975.db2.gz XVMAGVALZSMZFB-GJZGRUSLSA-N 1 0 320.389 0.601 50 0 DCAARO O=C(CN1CCCC1=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136971081 659293901 /nfs/dbraw/zinc/29/39/01/659293901.db2.gz VWRQJSWRUXRLJI-ZDUSSCGKSA-N 1 0 309.410 0.226 50 0 DCAARO Cn1cnc(C(=O)N2CCC3(CC2)C[N@H+](C)CCCN3C)c1 ZINC000299764037 659642735 /nfs/dbraw/zinc/64/27/35/659642735.db2.gz JJDHLWYRBFTIMK-UHFFFAOYSA-N 1 0 305.426 0.662 50 0 DCAARO Cc1cc(C)n(CCNC(=O)C(C)(C)[NH+]2CCCC2)c(=O)n1 ZINC000426489453 661606153 /nfs/dbraw/zinc/60/61/53/661606153.db2.gz ZLHDPLAMMMWEER-UHFFFAOYSA-N 1 0 306.410 0.851 50 0 DCAARO O=C(NCc1ncc[nH]1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000426613701 661663235 /nfs/dbraw/zinc/66/32/35/661663235.db2.gz YRRKICLGJPMROE-CYBMUJFWSA-N 1 0 307.398 0.540 50 0 DCAARO Cc1nc(C)c(S(=O)(=O)N2CC([NH2+][C@H]3CCOC3)C2)s1 ZINC000952994240 665875527 /nfs/dbraw/zinc/87/55/27/665875527.db2.gz XWMBZZXHHWSQMU-JTQLQIEISA-N 1 0 317.436 0.511 50 0 DCAARO O=c1c2c3c(sc2ncn1CCN1CC[NH2+]CC1)CCC3 ZINC000032561006 664680597 /nfs/dbraw/zinc/68/05/97/664680597.db2.gz NBWOWNWRCRTHIY-UHFFFAOYSA-N 1 0 304.419 0.852 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000952964989 685598471 /nfs/dbraw/zinc/59/84/71/685598471.db2.gz DZNYUDQFPRZZRQ-JSGCOSHPSA-N 1 0 323.368 0.173 50 0 DCAARO CCN(CC1=CC[N@H+](CCNC(N)=O)CC1)C(=O)N1CCCC1 ZINC000067851074 685070964 /nfs/dbraw/zinc/07/09/64/685070964.db2.gz FAONOCZFGPTJAL-UHFFFAOYSA-N 1 0 323.441 0.825 50 0 DCAARO C[N@H+](CCCNC(=O)c1cnc(C(N)=O)cn1)C1CCCC1 ZINC001772712038 1157848239 /nfs/dbraw/zinc/84/82/39/1157848239.db2.gz KXMQYBQFJVKULR-UHFFFAOYSA-N 1 0 305.382 0.570 50 0 DCAARO COc1nc(N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)ncc1F ZINC001704301048 1179965962 /nfs/dbraw/zinc/96/59/62/1179965962.db2.gz HSAKJCJPPFUZBE-IUODEOHRSA-N 1 0 310.373 0.907 50 0 DCAARO C[C@@]1(O)CCOC2(CC[NH+](CCCn3cccn3)CC2)[C@H]1O ZINC001704307812 1179968042 /nfs/dbraw/zinc/96/80/42/1179968042.db2.gz KUJLLKXQUHBFNE-LSDHHAIUSA-N 1 0 309.410 0.640 50 0 DCAARO C[N@@H+]1CCC[C@]2(CO)CCN(c3nc(C(N)=O)cs3)C[C@@H]12 ZINC001704316198 1179971460 /nfs/dbraw/zinc/97/14/60/1179971460.db2.gz ZYFXCQHVOJQMAP-BXUZGUMPSA-N 1 0 310.423 0.525 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@H+](C)Cc1ccc2nonc2c1 ZINC001704347915 1179982012 /nfs/dbraw/zinc/98/20/12/1179982012.db2.gz IAMULYLJZLQDJC-UHFFFAOYSA-N 1 0 312.395 0.936 50 0 DCAARO CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@H](O)C2 ZINC000823597146 758253029 /nfs/dbraw/zinc/25/30/29/758253029.db2.gz CAOLVWXZRRHBKK-LBPRGKRZSA-N 1 0 306.410 0.530 50 0 DCAARO C[NH+](C)C1(CNC(=O)CCCS(N)(=O)=O)CCCCC1 ZINC000828022035 758917126 /nfs/dbraw/zinc/91/71/26/758917126.db2.gz PXOVBTHSJLDKCC-UHFFFAOYSA-N 1 0 305.444 0.436 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC001529133764 1014502098 /nfs/dbraw/zinc/50/20/98/1014502098.db2.gz GOAKOVKEFXCBHD-JTQLQIEISA-N 1 0 305.386 0.326 50 0 DCAARO Cc1cc(C(N)=O)c(N2CCC[C@](CO)(C[NH+](C)C)C2)nc1C ZINC001529153135 1014509060 /nfs/dbraw/zinc/50/90/60/1014509060.db2.gz QVRQICOJBOXJFK-KRWDZBQOSA-N 1 0 320.437 0.938 50 0 DCAARO CC[N@H+](CC[C@@H]1CCS(=O)(=O)C1)CCN1CCOCC1 ZINC001506399224 1017253100 /nfs/dbraw/zinc/25/31/00/1017253100.db2.gz CBPQECYZGQIVEI-CQSZACIVSA-N 1 0 304.456 0.465 50 0 DCAARO COCCNC(=O)c1cccc(NC(=O)CC2C[NH2+]C2)c1C ZINC001506398447 1017253999 /nfs/dbraw/zinc/25/39/99/1017253999.db2.gz NFFKOKAGMBHVAR-UHFFFAOYSA-N 1 0 305.378 0.919 50 0 DCAARO CN1C[C@@H](C(=O)Nc2ccnn2C2CC[NH+](C)CC2)CCC1=O ZINC001506405015 1017255074 /nfs/dbraw/zinc/25/50/74/1017255074.db2.gz HIYRQKTWZJSBOV-LBPRGKRZSA-N 1 0 319.409 0.957 50 0 DCAARO OCCN1CC[NH+](C2CCN(c3ccncc3F)CC2)CC1 ZINC001506399965 1017256181 /nfs/dbraw/zinc/25/61/81/1017256181.db2.gz RTNIAFLGYHYMCE-UHFFFAOYSA-N 1 0 308.401 0.799 50 0 DCAARO CN1C(=O)CO[C@@H](C(=O)NCCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000072237963 282086492 /nfs/dbraw/zinc/08/64/92/282086492.db2.gz SHCVSWMDYZFIFU-HZPDHXFCSA-N 1 0 319.405 0.653 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC000095480041 185373440 /nfs/dbraw/zinc/37/34/40/185373440.db2.gz GERXNURKBQFOMK-LSDHHAIUSA-N 1 0 314.393 0.863 50 0 DCAARO C[NH+](C)CCN1C[C@H](C(=O)N2Cc3ccccc3C2)CC1=O ZINC000095501549 185375164 /nfs/dbraw/zinc/37/51/64/185375164.db2.gz PKLBHIZZAJELIQ-OAHLLOKOSA-N 1 0 301.390 0.939 50 0 DCAARO O=C1OC2(CN1Cc1noc([C@@H]3CCCO3)n1)CC[NH2+]CC2 ZINC000095502124 185375176 /nfs/dbraw/zinc/37/51/76/185375176.db2.gz ZXVRCDIAOZLZEV-JTQLQIEISA-N 1 0 308.338 0.996 50 0 DCAARO O=C(COCC(F)(F)C(F)F)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082114952 192358136 /nfs/dbraw/zinc/35/81/36/192358136.db2.gz OFXFYQYHGCWXBJ-UHFFFAOYSA-N 1 0 324.278 0.520 50 0 DCAARO C[NH+]1CCN([C@@H](CNS(C)(=O)=O)c2ccc(F)cc2)CC1 ZINC000022783066 282961204 /nfs/dbraw/zinc/96/12/04/282961204.db2.gz AMYSEPLEGMNFQY-AWEZNQCLSA-N 1 0 315.414 0.663 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)C[NH+](C)C)cn1 ZINC000408520475 530027635 /nfs/dbraw/zinc/02/76/35/530027635.db2.gz HEYAIQHZTGSXFA-UHFFFAOYSA-N 1 0 314.411 0.060 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccn(CC)n1 ZINC000067643084 190711751 /nfs/dbraw/zinc/71/17/51/190711751.db2.gz LJCQJSUEAYJLDL-YPMHNXCESA-N 1 0 307.398 0.313 50 0 DCAARO Cn1cnnc1[C@@H]1CCCN(Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072119534 191039091 /nfs/dbraw/zinc/03/90/91/191039091.db2.gz SDSLUHQCZRDFBL-CYBMUJFWSA-N 1 0 315.425 0.885 50 0 DCAARO O=C(CCc1cn2ccccc2n1)NC[C@@]1(O)CCC[NH2+]CC1 ZINC000072134440 191045917 /nfs/dbraw/zinc/04/59/17/191045917.db2.gz MDZVOXKUDPTEQL-QGZVFWFLSA-N 1 0 316.405 0.888 50 0 DCAARO CCCc1ncncc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072147405 191053465 /nfs/dbraw/zinc/05/34/65/191053465.db2.gz LHOIEYLFQPXKME-MRXNPFEDSA-N 1 0 306.410 0.958 50 0 DCAARO Cc1nc(CCNC(=O)[C@H]2C[NH2+]CCO2)nc2c1CCCC2 ZINC000072148628 191054545 /nfs/dbraw/zinc/05/45/45/191054545.db2.gz JYAFPZDVRFWCLL-CQSZACIVSA-N 1 0 304.394 0.311 50 0 DCAARO O=c1cc(C[N@H+]2CCC[C@@](O)(CO)C2)nc2ccc(Cl)cn12 ZINC000072154792 191059912 /nfs/dbraw/zinc/05/99/12/191059912.db2.gz OYTVGBADYKNPAP-HNNXBMFYSA-N 1 0 323.780 0.667 50 0 DCAARO CN(Cc1cc2n(n1)CC[NH2+]C2)Cc1cccc(-c2nn[nH]n2)c1 ZINC000072174329 191070760 /nfs/dbraw/zinc/07/07/60/191070760.db2.gz OTFQPLOOFLWBQD-UHFFFAOYSA-N 1 0 324.392 0.798 50 0 DCAARO [NH3+][C@H]1C[C@@H](c2cc(N3CCS(=O)(=O)CC3)nc(C3CC3)n2)C1 ZINC000253378517 186302425 /nfs/dbraw/zinc/30/24/25/186302425.db2.gz PSJAJQVWIPUAIR-TXEJJXNPSA-N 1 0 322.434 0.794 50 0 DCAARO OC[C@]1(O)CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000072419169 191157258 /nfs/dbraw/zinc/15/72/58/191157258.db2.gz IHZBOVUWWLVBPJ-INIZCTEOSA-N 1 0 300.362 0.858 50 0 DCAARO CNC(=O)c1ccc(C[NH+]2CCC3(C[NH2+][C@@H](C(=O)[O-])C3)CC2)o1 ZINC000072422299 191158997 /nfs/dbraw/zinc/15/89/97/191158997.db2.gz GADWSIFRPJMBCX-GFCCVEGCSA-N 1 0 321.377 0.668 50 0 DCAARO Cc1cccc(CN2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000072478528 191179743 /nfs/dbraw/zinc/17/97/43/191179743.db2.gz HROIZGMLLDFDQJ-INIZCTEOSA-N 1 0 303.406 0.628 50 0 DCAARO Cc1nc(-n2cccn2)cc(N2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000072477989 191180361 /nfs/dbraw/zinc/18/03/61/191180361.db2.gz FBXBIXXDJXRDJJ-MRXNPFEDSA-N 1 0 316.409 0.864 50 0 DCAARO CC(C)(C)OC(=O)N1CCOCC[NH2+]CCOCCOCC1 ZINC000004889125 181168406 /nfs/dbraw/zinc/16/84/06/181168406.db2.gz MUYVATSKSNIMIY-UHFFFAOYSA-N 1 0 318.414 0.877 50 0 DCAARO O=C(CCc1ccco1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077427585 191713904 /nfs/dbraw/zinc/71/39/04/191713904.db2.gz LRUPZTVNHGODQD-QGZVFWFLSA-N 1 0 322.405 0.898 50 0 DCAARO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000236992232 202112901 /nfs/dbraw/zinc/11/29/01/202112901.db2.gz XSSHLAXIUWTWOQ-AAEUAGOBSA-N 1 0 315.381 0.412 50 0 DCAARO CCc1nsc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)n1 ZINC000237082239 202145822 /nfs/dbraw/zinc/14/58/22/202145822.db2.gz NTKINNUHEQGRSO-MNOVXSKESA-N 1 0 309.439 0.877 50 0 DCAARO CN(C)c1nccc(N2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)n1 ZINC000237170339 202175563 /nfs/dbraw/zinc/17/55/63/202175563.db2.gz MRBUZFCGQUAISU-CHWSQXEVSA-N 1 0 318.425 0.319 50 0 DCAARO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000237431521 202263374 /nfs/dbraw/zinc/26/33/74/202263374.db2.gz IPOJJOITXIWYJC-QMMMGPOBSA-N 1 0 302.783 0.917 50 0 DCAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000178543190 237232629 /nfs/dbraw/zinc/23/26/29/237232629.db2.gz CIURIHFPOWCNBY-VIFPVBQESA-N 1 0 306.757 0.737 50 0 DCAARO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238012089 202418595 /nfs/dbraw/zinc/41/85/95/202418595.db2.gz XGVXQWDQKDSOCF-GLQYFDAESA-N 1 0 307.369 0.491 50 0 DCAARO Cc1cc(C)cc(OCCN(C)C(=O)C[NH2+]C(CO)CO)c1 ZINC000408524564 239273385 /nfs/dbraw/zinc/27/33/85/239273385.db2.gz VRWNNEIAUOHXMW-UHFFFAOYSA-N 1 0 310.394 0.083 50 0 DCAARO CCn1c(Cn2cccn2)nnc1C1CCN(CC[NH3+])CC1 ZINC000091493393 193064004 /nfs/dbraw/zinc/06/40/04/193064004.db2.gz FLVYYWSVNXWOSO-UHFFFAOYSA-N 1 0 303.414 0.681 50 0 DCAARO Cc1cnc(C)c(N2C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C2)n1 ZINC000091768720 193103811 /nfs/dbraw/zinc/10/38/11/193103811.db2.gz ZCSLSDOUKFDWTF-HZPDHXFCSA-N 1 0 321.469 0.632 50 0 DCAARO O=C([C@H]1C[NH2+]CCO1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000091819166 193112493 /nfs/dbraw/zinc/11/24/93/193112493.db2.gz RQLBDYFGSQVRRJ-OAHLLOKOSA-N 1 0 307.369 0.853 50 0 DCAARO O=C(c1cccnc1)N1C[C@H]2CC[C@H](C[N@H+]2CCOCCO)C1 ZINC000091872372 193120951 /nfs/dbraw/zinc/12/09/51/193120951.db2.gz VSOVWDURFMHNKN-GDBMZVCRSA-N 1 0 319.405 0.627 50 0 DCAARO Cc1nn(C)c(C)c1CN1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000092061558 193150014 /nfs/dbraw/zinc/15/00/14/193150014.db2.gz WOPHVXRHBDPZAT-HUUCEWRRSA-N 1 0 310.442 0.001 50 0 DCAARO NC(=O)c1ccsc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000008711041 181576804 /nfs/dbraw/zinc/57/68/04/181576804.db2.gz JZCFNTOWNMMKGH-UHFFFAOYSA-N 1 0 324.391 0.532 50 0 DCAARO Cn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000097212562 193692093 /nfs/dbraw/zinc/69/20/93/193692093.db2.gz FYFJPLKCFADDEH-LBPRGKRZSA-N 1 0 305.382 0.445 50 0 DCAARO C[NH+](C)CCCNC(=O)C(=O)Nc1cccc2nsnc21 ZINC000013728987 181885157 /nfs/dbraw/zinc/88/51/57/181885157.db2.gz SHIVFBGNEZADRO-UHFFFAOYSA-N 1 0 307.379 0.698 50 0 DCAARO O=C(CN(C1CC1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000015730144 182013501 /nfs/dbraw/zinc/01/35/01/182013501.db2.gz HLFAPNQPRFMKRL-UHFFFAOYSA-N 1 0 323.418 0.272 50 0 DCAARO CCCC[N@H+](C)CCNC(=O)c1c(O)nc2sccn2c1=O ZINC000020571900 182234048 /nfs/dbraw/zinc/23/40/48/182234048.db2.gz CALLSRSXIVZPJU-UHFFFAOYSA-N 1 0 324.406 0.923 50 0 DCAARO CCOC(=O)c1n[nH]cc1CN1CC[N@H+](C(C)C)[C@@H](CCO)C1 ZINC000020538616 182228692 /nfs/dbraw/zinc/22/86/92/182228692.db2.gz KVAZWQGGFTTWED-AWEZNQCLSA-N 1 0 324.425 0.863 50 0 DCAARO Cc1cc(O)c2c(CN3CC[NH+](CCO)CC3)cc(=O)oc2c1 ZINC000020611896 182238609 /nfs/dbraw/zinc/23/86/09/182238609.db2.gz CTELUQSZGKSJIB-UHFFFAOYSA-N 1 0 318.373 0.917 50 0 biogenic DCAARO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(-n2cccn2)cc1 ZINC000097756382 193753483 /nfs/dbraw/zinc/75/34/83/193753483.db2.gz BIJXCBFEKLBVTK-CQSZACIVSA-N 1 0 301.350 0.982 50 0 DCAARO CCN1C[C@@H](CN(C)Cc2cn(C3CC[NH2+]CC3)nn2)CC1=O ZINC000023428818 182360429 /nfs/dbraw/zinc/36/04/29/182360429.db2.gz NITBILIOHOIXQC-CYBMUJFWSA-N 1 0 320.441 0.503 50 0 DCAARO COc1c(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c(C)nn1C ZINC000058433536 184118343 /nfs/dbraw/zinc/11/83/43/184118343.db2.gz OJIZWHLVOAKVMQ-NSHDSACASA-N 1 0 316.427 0.251 50 0 DCAARO CC[NH+](CC)CCNC(=O)Cn1nc(C)c2c(C)onc2c1=O ZINC000064842189 184304481 /nfs/dbraw/zinc/30/44/81/184304481.db2.gz RMAYIJJGBBIRHL-UHFFFAOYSA-N 1 0 321.381 0.459 50 0 DCAARO CN(Cc1cccnc1)C(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065463748 184349594 /nfs/dbraw/zinc/34/95/94/184349594.db2.gz FFXSXTAYAINMNO-AWEZNQCLSA-N 1 0 314.393 0.945 50 0 DCAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2coc(C)n2)c1=O ZINC000065527955 184359982 /nfs/dbraw/zinc/35/99/82/184359982.db2.gz JLBLTXDGYLWQHI-UHFFFAOYSA-N 1 0 305.382 0.952 50 0 DCAARO Cc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCC[NH+](C)C)cn1 ZINC000222579802 257274588 /nfs/dbraw/zinc/27/45/88/257274588.db2.gz RDODGIOXZCEKOK-KGLIPLIRSA-N 1 0 308.382 0.251 50 0 DCAARO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000521394592 257241149 /nfs/dbraw/zinc/24/11/49/257241149.db2.gz SPNUMTUZYABINZ-SWPVVBRQSA-N 1 0 319.188 0.866 50 0 DCAARO Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCCC[N@H+]3C)on1 ZINC000426733958 257243547 /nfs/dbraw/zinc/24/35/47/257243547.db2.gz FURUUGZXUATHGI-UHFFFAOYSA-N 1 0 306.366 0.410 50 0 DCAARO C[N@@H+]1CCC[C@H](CCC(=O)N2CC[NH+](CCC(=O)[O-])CC2)C1 ZINC000426707270 257243795 /nfs/dbraw/zinc/24/37/95/257243795.db2.gz TZRZKOFBBUPEJA-CQSZACIVSA-N 1 0 311.426 0.727 50 0 DCAARO O=C(NCCn1cccn1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000426698482 257244127 /nfs/dbraw/zinc/24/41/27/257244127.db2.gz UIIPJBZVOHVCMW-HNNXBMFYSA-N 1 0 321.425 0.371 50 0 DCAARO COc1ccc(C(=O)N(C)Cc2nncn2C)c(OCC[NH3+])c1 ZINC000426597417 257245754 /nfs/dbraw/zinc/24/57/54/257245754.db2.gz OLDMOHMTKUMBLU-UHFFFAOYSA-N 1 0 319.365 0.433 50 0 DCAARO CC[C@H]1C(=O)NCCN1C(=O)c1ccc(C)c(OCC[NH3+])c1 ZINC000426536580 257246675 /nfs/dbraw/zinc/24/66/75/257246675.db2.gz XNNBXQAPMHXFGR-ZDUSSCGKSA-N 1 0 305.378 0.683 50 0 DCAARO COc1ccnc(C(=O)N2CCC(CO)(C[NH+](C)C)CC2)c1 ZINC000426427884 257250223 /nfs/dbraw/zinc/25/02/23/257250223.db2.gz DWISAYZBXDJZTN-UHFFFAOYSA-N 1 0 307.394 0.867 50 0 DCAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CC(=O)N[C@H]2CCCCNC2=O)c1 ZINC000252475031 257258993 /nfs/dbraw/zinc/25/89/93/257258993.db2.gz QZDZTZPJYMTXFM-MJBXVCDLSA-N 1 0 321.425 0.516 50 0 DCAARO CCc1cc(N(C)C[C@@H]2COCCO2)nc(N2CCOCC2)[nH+]1 ZINC000065468417 134826025 /nfs/dbraw/zinc/82/60/25/134826025.db2.gz HLXVVTOXDWIQAW-CQSZACIVSA-N 1 0 322.409 0.727 50 0 DCAARO O=c1[nH]ccc2c1cccc2S(=O)(=O)N1CCC[NH2+]CC1 ZINC000013815406 395688995 /nfs/dbraw/zinc/68/89/95/395688995.db2.gz ZAVGJDAFCZAWSZ-UHFFFAOYSA-N 1 0 307.375 0.512 50 0 in-vivo DCAARO NC(=O)C1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000000119022 395679844 /nfs/dbraw/zinc/67/98/44/395679844.db2.gz QGRUAUFCYVMJJJ-LBPRGKRZSA-N 1 0 322.361 0.352 50 0 DCAARO CCCCCn1c(N2CC[NH2+]CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002029960 395681329 /nfs/dbraw/zinc/68/13/29/395681329.db2.gz OUSLXRFGRYFMIR-UHFFFAOYSA-N 1 0 320.397 0.023 50 0 DCAARO O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)Nc1nccs1 ZINC000085436844 395700414 /nfs/dbraw/zinc/70/04/14/395700414.db2.gz LTSPRNCAMJCBFM-GFCCVEGCSA-N 1 0 310.423 0.470 50 0 DCAARO CC(C)Cn1nnnc1SCC(=O)NCCC[NH+](C)C ZINC000089856672 395715760 /nfs/dbraw/zinc/71/57/60/395715760.db2.gz ZYTYMFIVDVESTF-UHFFFAOYSA-N 1 0 300.432 0.489 50 0 DCAARO Cc1cc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2)on1 ZINC000096482506 395753950 /nfs/dbraw/zinc/75/39/50/395753950.db2.gz COEDLTOUKDDPNF-CHWSQXEVSA-N 1 0 320.393 0.703 50 0 DCAARO COc1ccc(N2CCC[C@H](C(=O)NCC[NH+](C)C)C2)nn1 ZINC000096231507 395751121 /nfs/dbraw/zinc/75/11/21/395751121.db2.gz MSGYFKNEQRBJNG-LBPRGKRZSA-N 1 0 307.398 0.379 50 0 DCAARO O[C@@H]1CN(Cc2cnn3cccnc23)CCN(c2cc[nH+]cc2)C1 ZINC000097610195 395759137 /nfs/dbraw/zinc/75/91/37/395759137.db2.gz XKSNHZDWZSHUQF-MRXNPFEDSA-N 1 0 324.388 0.807 50 0 DCAARO C[C@@H]1CN(CCN(C)C(=O)c2ccn(C)c(=O)c2)C[C@H](C)O1 ZINC000194721085 395804840 /nfs/dbraw/zinc/80/48/40/395804840.db2.gz LQVIVZPISVUEIH-BETUJISGSA-N 1 0 307.394 0.567 50 0 DCAARO CC(C)[C@H](NC(=O)CC[NH+]1CCN(C)CC1)c1nccn1C ZINC000222379036 395852736 /nfs/dbraw/zinc/85/27/36/395852736.db2.gz GQYSJGWHDCSELW-HNNXBMFYSA-N 1 0 307.442 0.871 50 0 DCAARO Nc1nc(NCCCN2CCOCC2)cc(C2CC([NH3+])C2)n1 ZINC000222910390 395853613 /nfs/dbraw/zinc/85/36/13/395853613.db2.gz DPODQYHWVRWQKA-UHFFFAOYSA-N 1 0 306.414 0.398 50 0 DCAARO Cc1n[nH]c(CCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)c1C ZINC000223702292 395856646 /nfs/dbraw/zinc/85/66/46/395856646.db2.gz JWEDQPXMMDBQKP-MSQAHXEGSA-N 1 0 306.410 0.793 50 0 DCAARO CS(=O)(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000047462961 395793012 /nfs/dbraw/zinc/79/30/12/395793012.db2.gz FFYXQQQPKRVOGJ-UHFFFAOYSA-N 1 0 311.451 0.744 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000124638832 395901248 /nfs/dbraw/zinc/90/12/48/395901248.db2.gz DTGRTMLMKDVJIT-LLVKDONJSA-N 1 0 316.336 0.806 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000237104980 395903085 /nfs/dbraw/zinc/90/30/85/395903085.db2.gz WQFMGXYSHBUMFI-UWVGGRQHSA-N 1 0 307.316 0.608 50 0 DCAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC000237407712 395911777 /nfs/dbraw/zinc/91/17/77/395911777.db2.gz FNUMAPYUXRTKOO-OLZOCXBDSA-N 1 0 306.362 0.311 50 0 DCAARO Cn1cc(N2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2=O)cn1 ZINC000237692747 395917417 /nfs/dbraw/zinc/91/74/17/395917417.db2.gz XYOWXAVLEVWYQS-RYUDHWBXSA-N 1 0 305.382 0.113 50 0 DCAARO C[N@H+](Cc1cc(=O)n2ccccc2n1)CC1(CO)CCOCC1 ZINC000244884213 395926014 /nfs/dbraw/zinc/92/60/14/395926014.db2.gz YHOHEBUNHFRHIE-UHFFFAOYSA-N 1 0 317.389 0.915 50 0 DCAARO CC(C)[NH2+]C1CCN(C(=O)NCc2nc(N(C)C)no2)CC1 ZINC000225853398 395864442 /nfs/dbraw/zinc/86/44/42/395864442.db2.gz DKPPPZKHWDMGTL-UHFFFAOYSA-N 1 0 310.402 0.808 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2ncc[nH]2)[C@@H](C)C1 ZINC000229310088 395873751 /nfs/dbraw/zinc/87/37/51/395873751.db2.gz UAOBDCVLQCXGGF-NWDGAFQWSA-N 1 0 300.428 0.948 50 0 DCAARO C[C@@H]1COCCN1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000229284652 395873796 /nfs/dbraw/zinc/87/37/96/395873796.db2.gz GJMNGNZVQPOBDA-XQQFMLRXSA-N 1 0 303.428 0.120 50 0 DCAARO C[NH+](C)C[C@H]1CN(C[C@@H](O)COCc2cccs2)CCO1 ZINC000229517542 395874592 /nfs/dbraw/zinc/87/45/92/395874592.db2.gz MOLWTYDNTQIKAO-KGLIPLIRSA-N 1 0 314.451 0.888 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@@H](O)Cn3cccn3)C2)n1 ZINC000229531712 395874657 /nfs/dbraw/zinc/87/46/57/395874657.db2.gz YEYPURWZKGMPBR-HZPDHXFCSA-N 1 0 318.425 0.865 50 0 DCAARO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000229457751 395874760 /nfs/dbraw/zinc/87/47/60/395874760.db2.gz HEPOFEPIAWFAKW-IAGOWNOFSA-N 1 0 317.433 0.958 50 0 DCAARO CC(C)C[N@@H+]1CCN(C(=O)c2cc(CO)ccn2)C[C@H]1CCO ZINC000230567796 395881436 /nfs/dbraw/zinc/88/14/36/395881436.db2.gz RUSULGJSLLQNFH-OAHLLOKOSA-N 1 0 321.421 0.739 50 0 DCAARO COC[C@@H](C)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000065451951 395994002 /nfs/dbraw/zinc/99/40/02/395994002.db2.gz YBMQDUFWOXGLOA-CYBMUJFWSA-N 1 0 321.425 0.668 50 0 DCAARO CCc1cc(N[C@H]2CCCCNC2=O)nc(N2CCOCC2)[nH+]1 ZINC000065507943 395994581 /nfs/dbraw/zinc/99/45/81/395994581.db2.gz UJFRTXOSXDWEGG-ZDUSSCGKSA-N 1 0 319.409 0.956 50 0 DCAARO O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000151941452 395996537 /nfs/dbraw/zinc/99/65/37/395996537.db2.gz NAUWMKJCUWTLAX-LSDHHAIUSA-N 1 0 304.390 0.574 50 0 DCAARO Nc1nccc(C2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3[NH3+])CC2)n1 ZINC000252510087 396022498 /nfs/dbraw/zinc/02/24/98/396022498.db2.gz ZBDRPEYAIDZDIR-OSRDXIQISA-N 1 0 313.405 0.914 50 0 DCAARO CCOC(=O)c1cc(CN2CC[N@H+](CCO)[C@@H](C)C2)[nH]c1C ZINC000253431880 396028536 /nfs/dbraw/zinc/02/85/36/396028536.db2.gz UZXLGXVUBRIDAV-LBPRGKRZSA-N 1 0 309.410 0.998 50 0 DCAARO CCCC(=O)NCCNc1cc(N2CCOCC2)nc(C)[nH+]1 ZINC000067622931 396029314 /nfs/dbraw/zinc/02/93/14/396029314.db2.gz JHVAKZKCUREHQH-UHFFFAOYSA-N 1 0 307.398 0.950 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1cc(C)ccc1C ZINC000067713774 396031699 /nfs/dbraw/zinc/03/16/99/396031699.db2.gz HYCFGWRBRPFWIS-GJZGRUSLSA-N 1 0 303.406 0.910 50 0 DCAARO CCc1noc(C)c1C(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067755273 396032449 /nfs/dbraw/zinc/03/24/49/396032449.db2.gz FCKZKNYAJFWHSD-JQWIXIFHSA-N 1 0 308.382 0.612 50 0 DCAARO C[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000069161053 396071668 /nfs/dbraw/zinc/07/16/68/396071668.db2.gz WDLJDQFEIVQJCA-JSGCOSHPSA-N 1 0 308.378 0.759 50 0 DCAARO CCc1c[nH]nc1C1CCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC000067804513 396034272 /nfs/dbraw/zinc/03/42/72/396034272.db2.gz JDNYKSFSCAQXED-AWEZNQCLSA-N 1 0 316.409 0.971 50 0 DCAARO O=C(N[C@@H]1CN(Cc2ccco2)C[C@H]1CO)c1cccnc1 ZINC000257192406 396035172 /nfs/dbraw/zinc/03/51/72/396035172.db2.gz QOUJTXRGWYHIGB-DZGCQCFKSA-N 1 0 301.346 0.897 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(OC)c(OC)cc1F ZINC000067840977 396036139 /nfs/dbraw/zinc/03/61/39/396036139.db2.gz YOJJJALWXWBOPA-JQWIXIFHSA-N 1 0 311.357 0.491 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccn1-c1ncccn1 ZINC000067855717 396036394 /nfs/dbraw/zinc/03/63/94/396036394.db2.gz YUUMPHPERPFSIC-JSGCOSHPSA-N 1 0 314.393 0.305 50 0 DCAARO COCC[NH2+]C[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O ZINC000067878600 396037984 /nfs/dbraw/zinc/03/79/84/396037984.db2.gz QRXSZPDJAOTSBA-QGZVFWFLSA-N 1 0 322.405 0.785 50 0 DCAARO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000261975017 396086164 /nfs/dbraw/zinc/08/61/64/396086164.db2.gz NPUQXUGZOARWOG-WDEREUQCSA-N 1 0 316.361 0.298 50 0 DCAARO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000069660900 396086287 /nfs/dbraw/zinc/08/62/87/396086287.db2.gz CLWJFHPNAHLBDQ-NSHDSACASA-N 1 0 303.453 0.796 50 0 DCAARO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000069743477 396089350 /nfs/dbraw/zinc/08/93/50/396089350.db2.gz VHHTXDLDYANZRD-XJKSGUPXSA-N 1 0 323.412 0.793 50 0 DCAARO C[C@@H](C(=O)N1CCOCC1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069873334 396092944 /nfs/dbraw/zinc/09/29/44/396092944.db2.gz OMNKPVBRMLZXHI-KBPBESRZSA-N 1 0 307.398 0.237 50 0 DCAARO CN(Cc1cccs1)C(=O)C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069879801 396093920 /nfs/dbraw/zinc/09/39/20/396093920.db2.gz RISRROKWHOBLLR-LLVKDONJSA-N 1 0 305.407 0.903 50 0 DCAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069893049 396093980 /nfs/dbraw/zinc/09/39/80/396093980.db2.gz KRSKZRVPBPTOCK-PMPSAXMXSA-N 1 0 309.410 0.904 50 0 DCAARO CC[C@@]1(CO)CCC[N@@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000170089035 396094230 /nfs/dbraw/zinc/09/42/30/396094230.db2.gz MHZLMLSXTZSTRZ-KRWDZBQOSA-N 1 0 319.453 0.965 50 0 DCAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000170070822 396094298 /nfs/dbraw/zinc/09/42/98/396094298.db2.gz XJRMVLXPXKAMND-ZWNOBZJWSA-N 1 0 303.366 0.883 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCCS(C)(=O)=O ZINC000069924121 396095766 /nfs/dbraw/zinc/09/57/66/396095766.db2.gz JSTBYRSMTWHRHU-ZIAGYGMSSA-N 1 0 302.440 0.896 50 0 DCAARO CO[C@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)CC[C@H]1[NH3+] ZINC000071638819 396114554 /nfs/dbraw/zinc/11/45/54/396114554.db2.gz QLHHTFJCYXJDQB-OCCSQVGLSA-N 1 0 304.350 0.713 50 0 DCAARO O=C(CN1C(=O)CNC1=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000071832904 396117900 /nfs/dbraw/zinc/11/79/00/396117900.db2.gz RZLCGVGOMBQQRV-UHFFFAOYSA-N 1 0 322.409 0.263 50 0 DCAARO Cc1cnn(CC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)c1 ZINC000071877029 396121252 /nfs/dbraw/zinc/12/12/52/396121252.db2.gz XUHHUBXYZMNONY-QGZVFWFLSA-N 1 0 322.453 0.597 50 0 DCAARO CCN1CCO[C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000071880815 396122378 /nfs/dbraw/zinc/12/23/78/396122378.db2.gz WBSNEWLXUIZCMM-CQSZACIVSA-N 1 0 312.435 0.900 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000071880587 396123071 /nfs/dbraw/zinc/12/30/71/396123071.db2.gz LAJLSZKREBSRQK-CVEARBPZSA-N 1 0 323.437 0.711 50 0 DCAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000072253976 396128092 /nfs/dbraw/zinc/12/80/92/396128092.db2.gz JLIDIHWWLSPUQU-CVEARBPZSA-N 1 0 322.453 0.867 50 0 DCAARO O=C(C[NH2+]CCn1cccn1)N1CCN(c2ccccn2)CC1 ZINC000072267800 396128211 /nfs/dbraw/zinc/12/82/11/396128211.db2.gz YDJIJICQIBYNLF-UHFFFAOYSA-N 1 0 314.393 0.217 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCO1 ZINC000072298297 396130799 /nfs/dbraw/zinc/13/07/99/396130799.db2.gz IXTNHTYQMNMXCV-JHJVBQTASA-N 1 0 303.428 0.120 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1CNC[C@H](C1CC1)[NH+](C)C ZINC000069581316 396083619 /nfs/dbraw/zinc/08/36/19/396083619.db2.gz KQDSGUMWSZFBLG-MRXNPFEDSA-N 1 0 321.469 0.995 50 0 DCAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000262578323 396157821 /nfs/dbraw/zinc/15/78/21/396157821.db2.gz MCOWTNGLWASAIN-GFCCVEGCSA-N 1 0 321.377 0.383 50 0 DCAARO Cc1noc(C)c1CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000078789285 396254549 /nfs/dbraw/zinc/25/45/49/396254549.db2.gz CVMJQAXWMGMIIQ-CABCVRRESA-N 1 0 307.394 0.892 50 0 DCAARO Cn1cc([C@@H]2C[C@@H]2C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078789454 396254621 /nfs/dbraw/zinc/25/46/21/396254621.db2.gz OLRZRQYPOUXKPK-JONQDZQNSA-N 1 0 318.421 0.581 50 0 DCAARO O=C(CCN1CCCC1=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000078789254 396254794 /nfs/dbraw/zinc/25/47/94/396254794.db2.gz WEFYPMTXTBGCNQ-ZIAGYGMSSA-N 1 0 309.410 0.057 50 0 DCAARO CSCc1noc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)n1 ZINC000077319729 396218736 /nfs/dbraw/zinc/21/87/36/396218736.db2.gz VVZQQSVKUILGCC-UHFFFAOYSA-N 1 0 311.367 0.107 50 0 DCAARO O[C@]1(CN2CCC(Oc3cccnc3)CC2)C[NH2+]CCOC1 ZINC000077338217 396219162 /nfs/dbraw/zinc/21/91/62/396219162.db2.gz JHUDQUBQCDNQGO-INIZCTEOSA-N 1 0 307.394 0.276 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1noc([C@@H]2CCCO2)n1 ZINC000077388070 396220148 /nfs/dbraw/zinc/22/01/48/396220148.db2.gz QKPIMJPRZVUALA-VIFPVBQESA-N 1 0 321.337 0.095 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1CCc1nc2ccccc2[nH]1 ZINC000077375312 396220255 /nfs/dbraw/zinc/22/02/55/396220255.db2.gz BLRMSYFASZCSPD-UHFFFAOYSA-N 1 0 313.361 0.779 50 0 DCAARO Cc1cc(=O)[nH]c(NCC[NH2+][C@H]2CCOC3(CCOCC3)C2)n1 ZINC000077376997 396220599 /nfs/dbraw/zinc/22/05/99/396220599.db2.gz DQDCIGPERRJPBC-ZDUSSCGKSA-N 1 0 322.409 0.808 50 0 DCAARO COc1cccc(CN2CCN(C[C@]3(O)CC[NH2+]C3)CC2=O)c1 ZINC000077537990 396225684 /nfs/dbraw/zinc/22/56/84/396225684.db2.gz QLALSCHKJRPKKW-KRWDZBQOSA-N 1 0 319.405 0.064 50 0 DCAARO O=C([C@H]1C[NH2+]CCO1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000188212495 396380358 /nfs/dbraw/zinc/38/03/58/396380358.db2.gz IPVUPODFOALAQS-CQSZACIVSA-N 1 0 311.332 0.602 50 0 DCAARO CC[C@@H](C)[N@H+](C)CCNc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000290628427 396468224 /nfs/dbraw/zinc/46/82/24/396468224.db2.gz MIDUHCYIDHTOSZ-CYBMUJFWSA-N 1 0 320.441 0.897 50 0 DCAARO C[C@]1(C(=O)N2CCCN(C(=O)C(F)(F)F)CC2)CCC[NH2+]C1 ZINC000584886113 396632461 /nfs/dbraw/zinc/63/24/61/396632461.db2.gz UOHVKRZLMRVHIQ-ZDUSSCGKSA-N 1 0 321.343 0.999 50 0 DCAARO C[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)n1cnnn1 ZINC000584892180 396634315 /nfs/dbraw/zinc/63/43/15/396634315.db2.gz BQFATBWGTUOTMX-LBPRGKRZSA-N 1 0 315.381 0.410 50 0 DCAARO Cc1nn[nH]c1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000584894904 396634990 /nfs/dbraw/zinc/63/49/90/396634990.db2.gz NJUXATQATXMFKK-UHFFFAOYSA-N 1 0 300.366 0.903 50 0 DCAARO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000299754219 396713796 /nfs/dbraw/zinc/71/37/96/396713796.db2.gz WMTVPLRXZDWKPT-UONOGXRCSA-N 1 0 308.382 0.980 50 0 DCAARO CN1CC[NH+](C[C@@H]2CCCN(c3ccc(C(N)=O)cn3)C2)CC1 ZINC000363405048 397170691 /nfs/dbraw/zinc/17/06/91/397170691.db2.gz CAXIKOACKDBQTN-AWEZNQCLSA-N 1 0 317.437 0.644 50 0 DCAARO CCN1CCc2c3c(N)n[nH]c3nc(N3CCOCC3)c2C1 ZINC000020840642 415155628 /nfs/dbraw/zinc/15/56/28/415155628.db2.gz BQJYZZAVIGZGLL-UHFFFAOYSA-N 1 0 302.382 0.755 50 0 DCAARO CC(=O)[C@@H]1[C@@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@H]2C=C[C@@H]3C=CC=C[C@H]3[N@@H+]21 ZINC000025560455 415163138 /nfs/dbraw/zinc/16/31/38/415163138.db2.gz SAATWYPBUIMNRC-ZGFVZZIGSA-N 1 0 313.353 0.865 50 0 DCAARO CC[N@@H+]1CCC[C@](O)(CN2CCN(c3ncccn3)CC2)C1 ZINC000046087450 415255349 /nfs/dbraw/zinc/25/53/49/415255349.db2.gz VGSUZRONTSJHCR-MRXNPFEDSA-N 1 0 305.426 0.445 50 0 DCAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000047595741 415274295 /nfs/dbraw/zinc/27/42/95/415274295.db2.gz YXQXCMVCSGFHPF-FRRDWIJNSA-N 1 0 317.455 0.451 50 0 DCAARO CS(=O)(=O)N1CCC[C@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000044893764 415229933 /nfs/dbraw/zinc/22/99/33/415229933.db2.gz AHSDECBLPYFJNW-ZDUSSCGKSA-N 1 0 317.455 0.403 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000048251880 415288427 /nfs/dbraw/zinc/28/84/27/415288427.db2.gz BTRBVPJYPQHXMO-UHFFFAOYSA-N 1 0 317.393 0.612 50 0 DCAARO CN(C(=O)C(N)=O)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072126471 415410555 /nfs/dbraw/zinc/41/05/55/415410555.db2.gz BESBQJGNKYPRMR-AWEZNQCLSA-N 1 0 301.390 0.562 50 0 DCAARO Cc1nn2c(nccc2[C@H]2C[NH2+]CCO2)c1CN1CCOCC1 ZINC000072343670 415416529 /nfs/dbraw/zinc/41/65/29/415416529.db2.gz YHGGLGJUUWQINC-OAHLLOKOSA-N 1 0 317.393 0.531 50 0 DCAARO C[N@H+](CCO)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067787468 415384567 /nfs/dbraw/zinc/38/45/67/415384567.db2.gz FNQSZAYZOVEISP-INIZCTEOSA-N 1 0 310.369 0.603 50 0 DCAARO CN1CC[NH+](CC2(CNC(=O)c3c(O)cccc3O)CC2)CC1 ZINC000067787859 415385213 /nfs/dbraw/zinc/38/52/13/415385213.db2.gz OXAHRJCQVFGPRP-UHFFFAOYSA-N 1 0 319.405 0.855 50 0 DCAARO CN(CC(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2)Cc1ccncc1 ZINC000067886198 415390292 /nfs/dbraw/zinc/39/02/92/415390292.db2.gz LYRHDSTYIMEYLR-CABCVRRESA-N 1 0 316.405 0.735 50 0 DCAARO COCCN(CC[NH+](C)C)C(=O)Nc1cnn(CCOC)c1 ZINC000075128014 415437164 /nfs/dbraw/zinc/43/71/64/415437164.db2.gz SMZJGIBOMKSHSU-UHFFFAOYSA-N 1 0 313.402 0.571 50 0 DCAARO CCN1CCO[C@H](C[NH2+]Cc2ccc(OCC(N)=O)cc2)C1 ZINC000075133661 415438514 /nfs/dbraw/zinc/43/85/14/415438514.db2.gz MKRSGMUTJXTBOM-OAHLLOKOSA-N 1 0 307.394 0.361 50 0 DCAARO O[C@H](C[NH2+][C@@H]1CCc2ncnn2C1)COCc1ccccc1F ZINC000075132579 415438832 /nfs/dbraw/zinc/43/88/32/415438832.db2.gz MTAFACLDSPSDIA-ZIAGYGMSSA-N 1 0 320.368 0.899 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000089107887 415516323 /nfs/dbraw/zinc/51/63/23/415516323.db2.gz WGONFVDGUQRUIU-YVECIDJPSA-N 1 0 305.444 0.448 50 0 DCAARO Cn1ccnc1CN1CCN(C(=O)[C@H]2CCCCC[N@@H+]2C)CC1 ZINC000091254678 415535053 /nfs/dbraw/zinc/53/50/53/415535053.db2.gz WYYLKYFIOPNCRT-OAHLLOKOSA-N 1 0 319.453 0.939 50 0 DCAARO Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](CCCO)C2)n1C ZINC000095364312 415553658 /nfs/dbraw/zinc/55/36/58/415553658.db2.gz KIFIVRSENALJOK-CQSZACIVSA-N 1 0 318.425 0.930 50 0 DCAARO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000095415673 415556276 /nfs/dbraw/zinc/55/62/76/415556276.db2.gz KBPVYNSNRQIZOA-CYBMUJFWSA-N 1 0 316.467 1.000 50 0 DCAARO C[NH2+]C1CCN(S(=O)(=O)c2cc(C(N)=O)sc2C)CC1 ZINC000095996596 415569162 /nfs/dbraw/zinc/56/91/62/415569162.db2.gz GDKLJUJNHZCDGN-UHFFFAOYSA-N 1 0 317.436 0.528 50 0 DCAARO COc1ncnc(N)c1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000097036882 415579665 /nfs/dbraw/zinc/57/96/65/415579665.db2.gz DOALLFUIRVRNDB-SNVBAGLBSA-N 1 0 318.356 0.970 50 0 DCAARO CCCC[N@@H+]1CCN(c2nc(N)nc3nc[nH]c32)C[C@H](O)C1 ZINC000097076216 415582697 /nfs/dbraw/zinc/58/26/97/415582697.db2.gz BRRIQTRHWTUGSL-SNVBAGLBSA-N 1 0 305.386 0.218 50 0 DCAARO Cc1nnnn1CCCN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000106960506 415655658 /nfs/dbraw/zinc/65/56/58/415655658.db2.gz LGRUGNYJKDOLHT-INIZCTEOSA-N 1 0 322.457 0.683 50 0 DCAARO CN(C(=O)[C@@H]1COCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171934398 416042809 /nfs/dbraw/zinc/04/28/09/416042809.db2.gz UHUNWBHXFJMVGK-HNNXBMFYSA-N 1 0 322.409 0.221 50 0 DCAARO CC(=O)N[C@H]1CCN(C(=O)c2ccc(OCCC[NH3+])cc2)C1 ZINC000299776167 416067444 /nfs/dbraw/zinc/06/74/44/416067444.db2.gz KQQQKAXDUMAXHN-AWEZNQCLSA-N 1 0 305.378 0.765 50 0 DCAARO Cc1nccnc1C[N@@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299783102 416067846 /nfs/dbraw/zinc/06/78/46/416067846.db2.gz NWIFCSBDFHBNAM-FSDCSDTHSA-N 1 0 319.405 0.773 50 0 DCAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1c[nH]c(=O)c(Cl)c1 ZINC000299789668 416069405 /nfs/dbraw/zinc/06/94/05/416069405.db2.gz ZTPHRHWWZUBISH-SNVBAGLBSA-N 1 0 313.785 0.875 50 0 DCAARO Cc1ccc(S(N)(=O)=O)cc1NC(=O)N(C)CC[NH+](C)C ZINC000299800296 416071235 /nfs/dbraw/zinc/07/12/35/416071235.db2.gz WMRVGXOELCGCCW-UHFFFAOYSA-N 1 0 314.411 0.668 50 0 DCAARO Cn1nncc1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000253395689 416334735 /nfs/dbraw/zinc/33/47/35/416334735.db2.gz PFCRWZDAWMUCET-UONOGXRCSA-N 1 0 315.377 0.180 50 0 DCAARO CC(C)n1cncc1CN1CCN(CCn2cncn2)CC1 ZINC000215254766 416326960 /nfs/dbraw/zinc/32/69/60/416326960.db2.gz CPAKEAHUQLDHCA-UHFFFAOYSA-N 1 0 303.414 0.873 50 0 DCAARO Cc1nnc(SCCNC(=O)CN2CCC[C@@H](O)C2)s1 ZINC000215607359 416327249 /nfs/dbraw/zinc/32/72/49/416327249.db2.gz SVWWILBZLZNCLP-SNVBAGLBSA-N 1 0 316.452 0.512 50 0 DCAARO O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238000776 416329645 /nfs/dbraw/zinc/32/96/45/416329645.db2.gz SROCEUXGROCTFR-NXEZZACHSA-N 1 0 319.283 0.362 50 0 DCAARO Cc1nonc1CNCc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000244633710 416330390 /nfs/dbraw/zinc/33/03/90/416330390.db2.gz GIFYOQPXEQJGDO-MGCOHNPYSA-N 1 0 303.370 0.799 50 0 DCAARO CC(C)n1cnnc1[C@@H](C)NC(=O)CCN1CC[NH+](C)CC1 ZINC000244673753 416330696 /nfs/dbraw/zinc/33/06/96/416330696.db2.gz HUXFNGPLHWKNPG-CYBMUJFWSA-N 1 0 308.430 0.674 50 0 DCAARO COc1cncc([C@@H](NC(=O)C[NH2+]C2CC2)[C@H]2C[C@H](O)C2)c1 ZINC000244723824 416330966 /nfs/dbraw/zinc/33/09/66/416330966.db2.gz MHYMWEVAPRYOGH-NKFCBESUSA-N 1 0 305.378 0.770 50 0 DCAARO Cc1nccn1CC[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000244795214 416331072 /nfs/dbraw/zinc/33/10/72/416331072.db2.gz RBRALMAKTWLWPP-UHFFFAOYSA-N 1 0 306.410 0.762 50 0 DCAARO O=C(Cc1cscn1)N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244795091 416331163 /nfs/dbraw/zinc/33/11/63/416331163.db2.gz QZIWNRPPKOOPOD-UXIGCNINSA-N 1 0 309.435 0.941 50 0 DCAARO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585116193 416517820 /nfs/dbraw/zinc/51/78/20/416517820.db2.gz KTRCZNVLWYEIQB-GHMZBOCLSA-N 1 0 307.398 0.859 50 0 DCAARO CN(C)S(=O)(=O)CCC[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000091770375 289235449 /nfs/dbraw/zinc/23/54/49/289235449.db2.gz IEZDCNKHBDMQQT-ZDUSSCGKSA-N 1 0 320.455 0.274 50 0 DCAARO CNC(=O)NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000070009986 290486238 /nfs/dbraw/zinc/48/62/38/290486238.db2.gz ZZCGOCPYPNDFMB-UHFFFAOYSA-N 1 0 309.341 0.877 50 0 DCAARO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[NH2+]CC[C@]314 ZINC000002572820 295278568 /nfs/dbraw/zinc/27/85/68/295278568.db2.gz RIKMCJUNPCRFMW-ISWURRPUSA-N 1 0 301.342 0.706 50 0 endogenous,world DCAARO COc1ccc2[nH]c(CNC(=O)C[C@@H]3C[NH2+]CCO3)nc2c1 ZINC000534582446 334289572 /nfs/dbraw/zinc/28/95/72/334289572.db2.gz FYZUHYWWYJMBLY-LLVKDONJSA-N 1 0 304.350 0.566 50 0 DCAARO C[C@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC[NH2+]1 ZINC000155180558 524467846 /nfs/dbraw/zinc/46/78/46/524467846.db2.gz VVWOVNGGXGUVCF-NSHDSACASA-N 1 0 302.378 0.999 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000132421659 527362329 /nfs/dbraw/zinc/36/23/29/527362329.db2.gz QGSHTQMMKNABMB-CQSZACIVSA-N 1 0 322.430 0.899 50 0 DCAARO Nc1ncc(Cl)cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178691714 545895999 /nfs/dbraw/zinc/89/59/99/545895999.db2.gz AZJAKNAIVYZLPC-SNVBAGLBSA-N 1 0 316.814 0.786 50 0 DCAARO COc1cc(CN2CC(N3CCOCC3)C2)cc2c1OCO2 ZINC000215948230 545938722 /nfs/dbraw/zinc/93/87/22/545938722.db2.gz UWYZNOXFHWEAEN-UHFFFAOYSA-N 1 0 306.362 0.940 50 0 DCAARO CN1CCO[C@H](C[NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000257365375 545975981 /nfs/dbraw/zinc/97/59/81/545975981.db2.gz SPAXYPUKEAVQDT-RBSFLKMASA-N 1 0 311.426 0.077 50 0 DCAARO CN(C)C(=O)c1cncc(N2CC[NH+](CCCCO)CC2)n1 ZINC000670438649 547090708 /nfs/dbraw/zinc/09/07/08/547090708.db2.gz LBOHHDYPPVSJHF-UHFFFAOYSA-N 1 0 307.398 0.073 50 0 DCAARO COc1nc(N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)ncc1F ZINC000670460179 547098707 /nfs/dbraw/zinc/09/87/07/547098707.db2.gz XBPKTJKULMHZKV-LBPRGKRZSA-N 1 0 310.373 0.907 50 0 DCAARO CCn1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](O)C2)cn1 ZINC000670469339 547100081 /nfs/dbraw/zinc/10/00/81/547100081.db2.gz SENASGSAFXTVQA-LBPRGKRZSA-N 1 0 316.427 0.028 50 0 DCAARO COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](OC)C2)cc1Cn1cncn1 ZINC000670469532 547100411 /nfs/dbraw/zinc/10/04/11/547100411.db2.gz LPUOOWYLSGSUGV-HOCLYGCPSA-N 1 0 318.377 0.527 50 0 DCAARO C[NH+](C)[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1n1ccnn1 ZINC000685940044 548746123 /nfs/dbraw/zinc/74/61/23/548746123.db2.gz DLDZJUWVGQTXPR-OLZOCXBDSA-N 1 0 315.381 0.117 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-n3ccnc3)n2)CCO1 ZINC000180810734 665456875 /nfs/dbraw/zinc/45/68/75/665456875.db2.gz BFFPGOAQORJKJB-CYBMUJFWSA-N 1 0 315.377 0.670 50 0 DCAARO O=C1N(CC2CC2)CCC[C@]1(O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000012316511 666440540 /nfs/dbraw/zinc/44/05/40/666440540.db2.gz KJBBLGVBUZVRKZ-INIZCTEOSA-N 1 0 304.394 0.531 50 0 DCAARO CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H](CCO)C(C)C)C1 ZINC000863948153 667197190 /nfs/dbraw/zinc/19/71/90/667197190.db2.gz MMHHEDXSLHXQRD-ZIAGYGMSSA-N 1 0 314.426 0.785 50 0 DCAARO O=S(=O)(c1ccc(Cl)s1)N1C[C@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772701985 1157842093 /nfs/dbraw/zinc/84/20/93/1157842093.db2.gz CRSQVKRSLKHZBQ-LDYMZIIASA-N 1 0 322.839 0.604 50 0 DCAARO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)cc(C)n1 ZINC000952964749 685598042 /nfs/dbraw/zinc/59/80/42/685598042.db2.gz QFYPUTWKZLCARA-AWEZNQCLSA-N 1 0 304.394 0.512 50 0 DCAARO CCc1csc(CNC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952974322 685600356 /nfs/dbraw/zinc/60/03/56/685600356.db2.gz ALNDBCUNHKTXNM-SNVBAGLBSA-N 1 0 310.423 0.519 50 0 DCAARO CC(C)[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccsc3)CN2C1=O ZINC000014535762 685047966 /nfs/dbraw/zinc/04/79/66/685047966.db2.gz CEDYGPCZNLWBMW-RWMBFGLXSA-N 1 0 307.419 0.962 50 0 DCAARO COc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](C)C(=O)N3C2)cc1 ZINC000014753307 685048785 /nfs/dbraw/zinc/04/87/85/685048785.db2.gz VKSMOOQUXBPLIY-JKOKRWQUSA-N 1 0 303.362 0.273 50 0 DCAARO O=C(CCCCc1cccnc1)N1C[C@@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772709397 1157847581 /nfs/dbraw/zinc/84/75/81/1157847581.db2.gz POUSMWOGMVGURQ-DOTOQJQBSA-N 1 0 303.406 0.835 50 0 DCAARO O[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1Cc1cnccn1 ZINC001704300978 1179966562 /nfs/dbraw/zinc/96/65/62/1179966562.db2.gz DMRZQZUYLVGABN-BXUZGUMPSA-N 1 0 307.785 0.862 50 0 DCAARO C[C@H](CNS(=O)(=O)C1CC1)[NH2+]C1(C(N)=O)CCCCC1 ZINC000821826769 758181813 /nfs/dbraw/zinc/18/18/13/758181813.db2.gz BYRFDQPVSQSHDL-SNVBAGLBSA-N 1 0 303.428 0.235 50 0 DCAARO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C(N)=O)cs2)C1 ZINC000823690495 758261489 /nfs/dbraw/zinc/26/14/89/758261489.db2.gz YRRNSASQRNFZCZ-VIFPVBQESA-N 1 0 317.436 0.419 50 0 DCAARO C[N@@H+]1CC[C@@](C)(c2nc(CC(N)=O)nn2-c2cccnc2)C1 ZINC000823754956 758265349 /nfs/dbraw/zinc/26/53/49/758265349.db2.gz KXTBMXHQHDUTSS-OAHLLOKOSA-N 1 0 300.366 0.283 50 0 DCAARO CN1CCN(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000823791295 758275377 /nfs/dbraw/zinc/27/53/77/758275377.db2.gz VHRPVDRICQVREU-CYBMUJFWSA-N 1 0 318.487 0.189 50 0 DCAARO COC[C@@H]1CCCN1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000824371070 758771992 /nfs/dbraw/zinc/77/19/92/758771992.db2.gz RWPFPPBTWDCSGS-ZDUSSCGKSA-N 1 0 305.444 0.370 50 0 DCAARO COCCN1C[C@H](C(=O)N2CC[NH+](CC3CCC3)CC2)CC1=O ZINC000824411960 758774009 /nfs/dbraw/zinc/77/40/09/758774009.db2.gz PKGWFGMUWJHJIW-OAHLLOKOSA-N 1 0 323.437 0.426 50 0 DCAARO Cc1c[nH+]ccc1NCCNS(=O)(=O)N1CCCCCC1 ZINC000825253252 758800749 /nfs/dbraw/zinc/80/07/49/758800749.db2.gz DVHHJDKLEDDZHB-UHFFFAOYSA-N 1 0 312.439 0.934 50 0 DCAARO O=C(NCC1CC[NH+](Cc2ccoc2)CC1)[C@H]1CCC(=O)N1 ZINC000828256450 758965026 /nfs/dbraw/zinc/96/50/26/758965026.db2.gz HQZFCWOPTCFXBG-CQSZACIVSA-N 1 0 305.378 0.886 50 0 DCAARO Cn1ncc2c1nc(NCC[N@@H+]1CCC[C@@H](CO)C1)nc2N ZINC000828711155 759075031 /nfs/dbraw/zinc/07/50/31/759075031.db2.gz KKNIFSKKPUGVJX-SNVBAGLBSA-N 1 0 305.386 0.062 50 0 DCAARO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)Cn3cccn3)C2)cn1 ZINC000952872348 768934561 /nfs/dbraw/zinc/93/45/61/768934561.db2.gz PVWMEAHOSTWNIU-CQSZACIVSA-N 1 0 316.409 0.645 50 0 DCAARO C[NH+](C)CCc1nnc(NC(=O)c2cc3ncccn3n2)s1 ZINC001529099928 1014494074 /nfs/dbraw/zinc/49/40/74/1014494074.db2.gz IBHGIRBRYMDUOT-UHFFFAOYSA-N 1 0 317.378 0.937 50 0 DCAARO COCC[N@@H+]1CCC[C@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC001506423465 1017265653 /nfs/dbraw/zinc/26/56/53/1017265653.db2.gz INLYCYUCYZXRLD-LLVKDONJSA-N 1 0 319.413 0.716 50 0 DCAARO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@@H](O)C2)CC1 ZINC000074657418 185005983 /nfs/dbraw/zinc/00/59/83/185005983.db2.gz PWHZDHRGZJIKPQ-HUUCEWRRSA-N 1 0 312.458 0.426 50 0 DCAARO Cc1nc2ccccc2n(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c1=O ZINC000095505441 185375245 /nfs/dbraw/zinc/37/52/45/185375245.db2.gz MRULLKMXUACXLR-SWLSCSKDSA-N 1 0 312.373 0.525 50 0 DCAARO C[C@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@@H]1[NH+](C)C ZINC000078895191 185124275 /nfs/dbraw/zinc/12/42/75/185124275.db2.gz INMFFPWDAWAABO-ONGXEEELSA-N 1 0 306.391 0.778 50 0 DCAARO C[NH+]1CCN(c2cc(C(=O)NCc3cc[nH]n3)ccn2)CC1 ZINC000078998888 185143940 /nfs/dbraw/zinc/14/39/40/185143940.db2.gz SDNKKFKPZYNNBP-UHFFFAOYSA-N 1 0 300.366 0.487 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)c1cccn1C ZINC000082106143 192357158 /nfs/dbraw/zinc/35/71/58/192357158.db2.gz AGCOZIHKYVVUCV-AAEUAGOBSA-N 1 0 320.393 0.004 50 0 DCAARO COc1ncnc(N(C)C)c1NC(=O)N1CCC[N@H+](C)CC1 ZINC000181629635 199329528 /nfs/dbraw/zinc/32/95/28/199329528.db2.gz YXCZFOJXTRANTQ-UHFFFAOYSA-N 1 0 308.386 0.721 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3nc[nH]n3)C2)CC1 ZINC000071681596 191007365 /nfs/dbraw/zinc/00/73/65/191007365.db2.gz JZZYPUKMDHUTRB-GFCCVEGCSA-N 1 0 306.414 0.227 50 0 DCAARO Cc1nccn1CCCC(=O)N1CC[C@H]2[NH2+]CCC[C@]2(CO)C1 ZINC000072133676 191044256 /nfs/dbraw/zinc/04/42/56/191044256.db2.gz UDSKNYKDSZZZBT-NVXWUHKLSA-N 1 0 320.437 0.935 50 0 DCAARO CNC(=O)CCN(C)c1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000072133572 191044522 /nfs/dbraw/zinc/04/45/22/191044522.db2.gz QJOQQNFYGUVITQ-UHFFFAOYSA-N 1 0 312.377 0.714 50 0 DCAARO Cc1cccn2c(CC(=O)N3CC[C@@](O)(C[NH+](C)C)C3)cnc12 ZINC000072145666 191051348 /nfs/dbraw/zinc/05/13/48/191051348.db2.gz PAHKGBCVRNQRIM-QGZVFWFLSA-N 1 0 316.405 0.710 50 0 DCAARO CN1CC2(CCN(Cc3cc4n(n3)CC[NH2+]C4)CC2)OC1=O ZINC000072157305 191061490 /nfs/dbraw/zinc/06/14/90/191061490.db2.gz FJKMDLFKNHUFDX-UHFFFAOYSA-N 1 0 305.382 0.403 50 0 DCAARO C[NH+](C)CCN1C[C@H](C(=O)NCCc2ccc(F)cc2)CC1=O ZINC000072284067 191103698 /nfs/dbraw/zinc/10/36/98/191103698.db2.gz GRSQTVFVXIHNFD-CQSZACIVSA-N 1 0 321.396 0.895 50 0 DCAARO COCCC[N@H+](C)CCNC(=O)c1cccc2c1OCC(=O)N2 ZINC000072295863 191112186 /nfs/dbraw/zinc/11/21/86/191112186.db2.gz VIVRSRSMRQOUMC-UHFFFAOYSA-N 1 0 321.377 0.716 50 0 DCAARO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000072319281 191121298 /nfs/dbraw/zinc/12/12/98/191121298.db2.gz NBLFXQPBUVNTGB-SWLSCSKDSA-N 1 0 308.378 0.775 50 0 DCAARO CN(C)Cc1nnc([C@H]2CCCN(C3CC[NH2+]CC3)C2)n1C ZINC000072409877 191154402 /nfs/dbraw/zinc/15/44/02/191154402.db2.gz ITJKWRMSPORZHK-ZDUSSCGKSA-N 1 0 306.458 0.808 50 0 DCAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(N(C)C)C2=O)cc1OC ZINC000004696739 181138510 /nfs/dbraw/zinc/13/85/10/181138510.db2.gz KHNAOEVGILNIHZ-GFCCVEGCSA-N 1 0 321.377 0.440 50 0 DCAARO NC(=O)CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082107737 283288104 /nfs/dbraw/zinc/28/81/04/283288104.db2.gz GJIYSCZPHZPMAP-CQSZACIVSA-N 1 0 322.453 0.271 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H](C)CO1 ZINC000237524293 202270693 /nfs/dbraw/zinc/27/06/93/202270693.db2.gz LDSZKMKBOADNCS-OUCADQQQSA-N 1 0 313.423 0.630 50 0 DCAARO Cn1cncc1CNC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000237931644 202394520 /nfs/dbraw/zinc/39/45/20/202394520.db2.gz HAFJTFMHODVIBD-QGZVFWFLSA-N 1 0 300.406 0.929 50 0 DCAARO Cc1ccc(NCCCNC(=O)CN2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000243901469 202479525 /nfs/dbraw/zinc/47/95/25/202479525.db2.gz BBSPOXOVAVCLJQ-OAHLLOKOSA-N 1 0 319.453 0.944 50 0 DCAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000269632240 296028167 /nfs/dbraw/zinc/02/81/67/296028167.db2.gz MCGDWHLIQPAQKX-RKDXNWHRSA-N 1 0 306.819 0.964 50 0 DCAARO Nc1ccc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cn1 ZINC000244724092 202490568 /nfs/dbraw/zinc/49/05/68/202490568.db2.gz MNJJXOYVQDCWGA-UMVBOHGHSA-N 1 0 304.394 0.533 50 0 DCAARO COc1ccc(Br)c(S(=O)(=O)NCC[NH3+])c1 ZINC000195544438 201403531 /nfs/dbraw/zinc/40/35/31/201403531.db2.gz IUKPNOZTVWWWNW-UHFFFAOYSA-N 1 0 309.185 0.695 50 0 DCAARO Cc1nn(CCO)cc1C[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000091493909 193064094 /nfs/dbraw/zinc/06/40/94/193064094.db2.gz QZMWVBLIWDEPHA-HNNXBMFYSA-N 1 0 309.410 0.690 50 0 DCAARO Cc1ccc(CC(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)cc1 ZINC000091706930 193094670 /nfs/dbraw/zinc/09/46/70/193094670.db2.gz BZOQLVFZELMMAI-IAGOWNOFSA-N 1 0 320.433 0.529 50 0 DCAARO Cc1ccnn1CC(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091713629 193095748 /nfs/dbraw/zinc/09/57/48/193095748.db2.gz CWTRIDWFJYQZPA-INIZCTEOSA-N 1 0 319.409 0.004 50 0 DCAARO COCCN1CCC[C@]2(CC[N@H+](Cc3nc(C)no3)C2)C1=O ZINC000091737571 193099507 /nfs/dbraw/zinc/09/95/07/193099507.db2.gz ZRVSLPCKVWWGQF-OAHLLOKOSA-N 1 0 308.382 0.839 50 0 DCAARO Cc1nonc1CC(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000218984596 201547025 /nfs/dbraw/zinc/54/70/25/201547025.db2.gz WZWWBILPJIDIOP-UHFFFAOYSA-N 1 0 308.382 0.370 50 0 DCAARO COCc1nc(NCc2nc(N)n[nH]2)cc(C2CC([NH3+])C2)n1 ZINC000223855695 201660433 /nfs/dbraw/zinc/66/04/33/201660433.db2.gz RUBLAIFYEOCQNK-UHFFFAOYSA-N 1 0 304.358 0.140 50 0 DCAARO C[NH+](C)CCNS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000044069364 183393539 /nfs/dbraw/zinc/39/35/39/183393539.db2.gz RJEYFWVHUXSWTA-UHFFFAOYSA-N 1 0 304.759 0.716 50 0 DCAARO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1C(N)=O ZINC000044492846 183413184 /nfs/dbraw/zinc/41/31/84/183413184.db2.gz PZWPCJVFRDBUBF-NSHDSACASA-N 1 0 311.407 0.514 50 0 DCAARO NC(=O)[C@H]1CCCC[N@@H+]1CCCc1nnnn1-c1ccccc1 ZINC000058131227 184079056 /nfs/dbraw/zinc/07/90/56/184079056.db2.gz CBMBEUBOLYICQT-CQSZACIVSA-N 1 0 314.393 0.935 50 0 DCAARO Cn1nccc1C1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000058305275 184103349 /nfs/dbraw/zinc/10/33/49/184103349.db2.gz TYATUGBKBKYZJT-UHFFFAOYSA-N 1 0 317.393 0.197 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCC(=O)N(C)C ZINC000058412705 184114623 /nfs/dbraw/zinc/11/46/23/184114623.db2.gz YMNGRPUREUUOGY-UHFFFAOYSA-N 1 0 309.414 0.133 50 0 DCAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000063194026 184277838 /nfs/dbraw/zinc/27/78/38/184277838.db2.gz OBXRXRYZEQJKMO-GWCFXTLKSA-N 1 0 311.407 0.676 50 0 DCAARO CC(=O)N1CCN(C(=O)CN(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000065591917 184369860 /nfs/dbraw/zinc/36/98/60/184369860.db2.gz DMXQLUDOXVSXTN-UHFFFAOYSA-N 1 0 324.469 0.482 50 0 DCAARO CCN1CC2(CCC1=O)CCN(C(=O)C[C@@H]1COCC[NH2+]1)CC2 ZINC000092028815 256548804 /nfs/dbraw/zinc/54/88/04/256548804.db2.gz WMVVKOLQGMWZSA-CQSZACIVSA-N 1 0 323.437 0.616 50 0 DCAARO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 ZINC000356977050 257235934 /nfs/dbraw/zinc/23/59/34/257235934.db2.gz JFPFHNWSXCBDSM-ZBFHGGJFSA-N 1 0 306.406 0.505 50 0 DCAARO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238001828 257238033 /nfs/dbraw/zinc/23/80/33/257238033.db2.gz SPNUMTUZYABINZ-GGVZMXCHSA-N 1 0 319.188 0.866 50 0 DCAARO C[C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)n1cnnn1 ZINC000426712757 257243519 /nfs/dbraw/zinc/24/35/19/257243519.db2.gz ODJMFJHXGUGQIW-LBPRGKRZSA-N 1 0 315.381 0.410 50 0 DCAARO O=C(NCCn1cccn1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000426698483 257244066 /nfs/dbraw/zinc/24/40/66/257244066.db2.gz UIIPJBZVOHVCMW-OAHLLOKOSA-N 1 0 321.425 0.371 50 0 DCAARO Cc1cc(=O)c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cn1C ZINC000426621883 257245342 /nfs/dbraw/zinc/24/53/42/257245342.db2.gz YTFKCUPAOBWQQK-MRXNPFEDSA-N 1 0 307.394 0.222 50 0 DCAARO [NH3+]CCOc1cccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c1 ZINC000426599790 257245489 /nfs/dbraw/zinc/24/54/89/257245489.db2.gz UDMDGHHNCSNUOU-HOTGVXAUSA-N 1 0 319.405 0.617 50 0 DCAARO CN(C[C@@H]1COCCO1)C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426441910 257250416 /nfs/dbraw/zinc/25/04/16/257250416.db2.gz NMCWOLDLGREOSA-OAHLLOKOSA-N 1 0 308.378 0.440 50 0 DCAARO Cc1cc(N2CCN3CCNC(=O)[C@H]3C2)nc(N2CCCC2)[nH+]1 ZINC000252469995 257258911 /nfs/dbraw/zinc/25/89/11/257258911.db2.gz HLDGDWZYOJWUJD-CYBMUJFWSA-N 1 0 316.409 0.006 50 0 DCAARO Cn1cnc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1 ZINC000285410897 131165736 /nfs/dbraw/zinc/16/57/36/131165736.db2.gz YJLQPDANJKOFOZ-SWLSCSKDSA-N 1 0 316.409 0.967 50 0 DCAARO CCn1nc(C)c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H](O)C2)c1C ZINC000011954288 395686901 /nfs/dbraw/zinc/68/69/01/395686901.db2.gz RWFSWRYDRRPOCG-IAGOWNOFSA-N 1 0 322.453 0.787 50 0 DCAARO CC[NH2+]Cc1ccc(OC[C@H](O)CN2CCOCC2)c(OC)c1 ZINC000012050113 395687005 /nfs/dbraw/zinc/68/70/05/395687005.db2.gz HQGNRFNXIXHRJM-OAHLLOKOSA-N 1 0 324.421 0.877 50 0 DCAARO O=C(C[C@@H]1[NH2+]CCC[C@@H]1O)Cn1cnc2ccccc2c1=O ZINC000001571579 395681062 /nfs/dbraw/zinc/68/10/62/395681062.db2.gz FWVHWDSCPKXMDB-GJZGRUSLSA-N 1 0 301.346 0.469 50 0 biogenic,in-vitro DCAARO O=C(C[NH2+]CCO)Nc1ccc(I)cc1 ZINC000002570943 395681737 /nfs/dbraw/zinc/68/17/37/395681737.db2.gz JKELPVBKZMDMDH-UHFFFAOYSA-N 1 0 320.130 0.812 50 0 DCAARO CS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000002944163 395682158 /nfs/dbraw/zinc/68/21/58/395682158.db2.gz UDMCTCXZDDJMQI-CYBMUJFWSA-N 1 0 317.455 0.260 50 0 DCAARO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000085468269 395701138 /nfs/dbraw/zinc/70/11/38/395701138.db2.gz KZVVSPWTOQDSLH-CYBMUJFWSA-N 1 0 315.483 0.827 50 0 DCAARO O=C([C@@H](c1ccccc1F)N1CCOCC1)N1CC[NH2+]CC1 ZINC000032068668 395708941 /nfs/dbraw/zinc/70/89/41/395708941.db2.gz HNTMZWSVQRNAJO-OAHLLOKOSA-N 1 0 307.369 0.631 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)c2cnn3cccnc23)CC1 ZINC000089414475 395711282 /nfs/dbraw/zinc/71/12/82/395711282.db2.gz BWHSGOUYMIBYCC-UHFFFAOYSA-N 1 0 317.393 0.818 50 0 DCAARO Cn1nccc1[C@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000089917026 395716578 /nfs/dbraw/zinc/71/65/78/395716578.db2.gz BGALXHGIBIFNNU-LBPRGKRZSA-N 1 0 319.409 0.930 50 0 DCAARO COCCN1C[C@@]2(CCC[N@H+](CC(=O)N(C)C)C2)CCC1=O ZINC000091808633 395727791 /nfs/dbraw/zinc/72/77/91/395727791.db2.gz PVADAXWEYGFNCV-INIZCTEOSA-N 1 0 311.426 0.426 50 0 DCAARO C[NH+](C)CCCNC(=O)[C@@]1(c2ccccc2)CCCNC1=O ZINC000096027335 395741050 /nfs/dbraw/zinc/74/10/50/395741050.db2.gz HOCXPTTWTFMDJB-QGZVFWFLSA-N 1 0 303.406 0.902 50 0 DCAARO COc1ccccc1CNC(=O)CC[N@@H+]1CC[C@@](C)(O)[C@@H](O)C1 ZINC000096133063 395745506 /nfs/dbraw/zinc/74/55/06/395745506.db2.gz WQQBFCBKGONGRK-DOTOQJQBSA-N 1 0 322.405 0.519 50 0 DCAARO COCC[N@@H+]1CCC2(CC[NH+](CC(=O)[O-])CC2)[C@@H](CO)C1 ZINC000097301228 395756893 /nfs/dbraw/zinc/75/68/93/395756893.db2.gz WFYBMSDRPNVCGX-CYBMUJFWSA-N 1 0 300.399 0.114 50 0 DCAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000106781844 395783927 /nfs/dbraw/zinc/78/39/27/395783927.db2.gz IVUPHMJIGQIGRA-MCIONIFRSA-N 1 0 319.409 0.353 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CCO1 ZINC000106917485 395784895 /nfs/dbraw/zinc/78/48/95/395784895.db2.gz IXTNHTYQMNMXCV-XQQFMLRXSA-N 1 0 303.428 0.120 50 0 DCAARO Cc1nc2ccccc2n1CC(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000097619367 395759041 /nfs/dbraw/zinc/75/90/41/395759041.db2.gz RYRPZRWWOMSOGN-UHFFFAOYSA-N 1 0 324.388 0.961 50 0 DCAARO Cc1[nH]c(=O)c(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c(C)c1C ZINC000097822978 395760673 /nfs/dbraw/zinc/76/06/73/395760673.db2.gz YFTBWVQXQZNLAR-AWEZNQCLSA-N 1 0 321.421 0.877 50 0 DCAARO CC(=O)c1cc(CC(=O)NCC(=O)N2CC[NH2+]CC2)cs1 ZINC000097797422 395760824 /nfs/dbraw/zinc/76/08/24/395760824.db2.gz ZSMQIQWTYCUJJY-UHFFFAOYSA-N 1 0 309.391 0.041 50 0 DCAARO O=C(c1cccnc1N1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195222310 395821927 /nfs/dbraw/zinc/82/19/27/395821927.db2.gz FGIMEPNYPCACTF-BETUJISGSA-N 1 0 302.378 0.210 50 0 DCAARO C[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3COCCO3)cc2)CC1 ZINC000215013609 395836669 /nfs/dbraw/zinc/83/66/69/395836669.db2.gz SSCAZIDLAPAXQI-MRXNPFEDSA-N 1 0 319.405 0.584 50 0 DCAARO CN1CC[NH+](CCC(=O)N2CC[C@](O)(c3ccccc3)C2)CC1 ZINC000220446792 395849029 /nfs/dbraw/zinc/84/90/29/395849029.db2.gz DUUNOYZCLJBRLY-GOSISDBHSA-N 1 0 317.433 0.744 50 0 DCAARO O=C(CCN1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1)Nc1cccnc1 ZINC000244898875 395926289 /nfs/dbraw/zinc/92/62/89/395926289.db2.gz ZDDCSCITLNRUFA-HOTGVXAUSA-N 1 0 318.421 0.941 50 0 DCAARO Cc1nc(N)sc1C(=O)NCC1(C[NH+]2CCN(C)CC2)CC1 ZINC000244899931 395926603 /nfs/dbraw/zinc/92/66/03/395926603.db2.gz ZTEIARHJANFASG-UHFFFAOYSA-N 1 0 323.466 0.791 50 0 DCAARO Cn1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1=O ZINC000052695808 395868266 /nfs/dbraw/zinc/86/82/66/395868266.db2.gz WEICDEJAXONQHN-CYBMUJFWSA-N 1 0 313.423 0.147 50 0 DCAARO Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1C[C@@H]3CCCC[C@H]3[NH2+]1)CC2 ZINC000252540190 396023488 /nfs/dbraw/zinc/02/34/88/396023488.db2.gz OWHFUWGGERUSJV-LNSITVRQSA-N 1 0 316.405 0.586 50 0 DCAARO CCOc1cccc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)COC)C2)c1 ZINC000253413459 396028117 /nfs/dbraw/zinc/02/81/17/396028117.db2.gz UVGQSYSDJHIIAE-GOEBONIOSA-N 1 0 322.405 0.641 50 0 DCAARO COC[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000253431827 396028472 /nfs/dbraw/zinc/02/84/72/396028472.db2.gz IGAPHSVUSYJYTE-AWEZNQCLSA-N 1 0 312.458 0.737 50 0 DCAARO CCc1nccn1CCC(=O)N[C@H]1C[C@H]2CN(C)CC[N@@H+]2C1 ZINC000067673503 396030854 /nfs/dbraw/zinc/03/08/54/396030854.db2.gz FTQDLCSXJYQNMM-KBPBESRZSA-N 1 0 305.426 0.340 50 0 DCAARO C[C@@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)C[C@H](C)[NH2+]1 ZINC000154235143 396034205 /nfs/dbraw/zinc/03/42/05/396034205.db2.gz MOWJCRFMRQRQNL-TXEJJXNPSA-N 1 0 305.378 0.763 50 0 DCAARO CC(C)NC(=O)C[NH2+][C@H](C)Cn1cnc2ccccc2c1=O ZINC000067954891 396040458 /nfs/dbraw/zinc/04/04/58/396040458.db2.gz PIYFUPTVBRQKED-GFCCVEGCSA-N 1 0 302.378 0.899 50 0 DCAARO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000069870593 396093150 /nfs/dbraw/zinc/09/31/50/396093150.db2.gz LVUPGCRSRHRDQM-NWDGAFQWSA-N 1 0 318.377 0.921 50 0 DCAARO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)n2cccn2)CC1 ZINC000069920206 396094350 /nfs/dbraw/zinc/09/43/50/396094350.db2.gz FLKSVLMKQYOMQB-SOUVJXGZSA-N 1 0 307.442 0.975 50 0 DCAARO Cc1cnn(C[C@@H]2CCC[N@H+]2CC(=O)N2CCO[C@H](C)C2)c1 ZINC000069928718 396095533 /nfs/dbraw/zinc/09/55/33/396095533.db2.gz RIKUNXFWGOREDD-CABCVRRESA-N 1 0 306.410 0.903 50 0 DCAARO CCC[C@@H](C)S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000170613331 396096111 /nfs/dbraw/zinc/09/61/11/396096111.db2.gz VYKOAZWPFXJCLS-GFCCVEGCSA-N 1 0 305.444 0.211 50 0 DCAARO Cn1cc(C[C@H]2CC(=O)N(CC[NH+]3CCCCC3)C2=O)cn1 ZINC000170614882 396096175 /nfs/dbraw/zinc/09/61/75/396096175.db2.gz WYBUUIKMEWTPTQ-AWEZNQCLSA-N 1 0 304.394 0.824 50 0 DCAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CC1 ZINC000069951769 396096294 /nfs/dbraw/zinc/09/62/94/396096294.db2.gz IZZXLVRFUPMEBP-UHFFFAOYSA-N 1 0 324.450 0.912 50 0 DCAARO C[NH+](C)C[C@@H]1CN(CC(=O)NCCCc2ccccc2)CCO1 ZINC000070016596 396098150 /nfs/dbraw/zinc/09/81/50/396098150.db2.gz UPHZUAMSVJJPSZ-QGZVFWFLSA-N 1 0 319.449 0.998 50 0 DCAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2CC(=O)NC2CCOCC2)c1 ZINC000070039913 396098987 /nfs/dbraw/zinc/09/89/87/396098987.db2.gz WUTOIIVVISYZNM-HNNXBMFYSA-N 1 0 306.410 0.951 50 0 DCAARO Cc1cc(N2CC[NH2+][C@H](C(=O)[O-])C2)nc(N2CCCCC2)[nH+]1 ZINC000071775726 396114687 /nfs/dbraw/zinc/11/46/87/396114687.db2.gz PURANWIABBBIRF-LBPRGKRZSA-N 1 0 305.382 0.638 50 0 DCAARO Cc1cc(N(C)C)nc(N2CCC(N3CCNC3=O)CC2)[nH+]1 ZINC000071811747 396116117 /nfs/dbraw/zinc/11/61/17/396116117.db2.gz IYMGAHBQPHTAQB-UHFFFAOYSA-N 1 0 304.398 0.845 50 0 DCAARO COCCn1nc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1=O ZINC000071839924 396118812 /nfs/dbraw/zinc/11/88/12/396118812.db2.gz JSCQDAYMSSSQPI-CYBMUJFWSA-N 1 0 320.393 0.200 50 0 DCAARO Cc1cnn(C[C@H]2CCC[N@H+]2CCCS(=O)(=O)N(C)C)c1 ZINC000071876027 396121759 /nfs/dbraw/zinc/12/17/59/396121759.db2.gz YQOBJEFRDTVXST-CQSZACIVSA-N 1 0 314.455 0.937 50 0 DCAARO CN(C[C@H](O)CN1CC[NH+](C)CC1)c1cnc2ccccc2n1 ZINC000071893789 396123728 /nfs/dbraw/zinc/12/37/28/396123728.db2.gz VBBPQLIRUCXOSS-AWEZNQCLSA-N 1 0 315.421 0.674 50 0 DCAARO C[N@@H+]1CCC[C@@H](N2CCN([C@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000071909029 396124222 /nfs/dbraw/zinc/12/42/22/396124222.db2.gz PDKBGMBQDDXUIX-SJORKVTESA-N 1 0 316.449 0.925 50 0 DCAARO CCc1nc2ccccc2n1CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262327692 396124547 /nfs/dbraw/zinc/12/45/47/396124547.db2.gz RXUQMAOERINTAX-FZMZJTMJSA-N 1 0 302.378 0.295 50 0 DCAARO CCn1ccnc1CN1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000069418153 396078019 /nfs/dbraw/zinc/07/80/19/396078019.db2.gz HQCIXKJPPRABTL-OAHLLOKOSA-N 1 0 318.425 0.278 50 0 DCAARO Cc1cc(N(C)C)nc(N2CCO[C@@H](Cn3cccn3)C2)[nH+]1 ZINC000069454003 396078995 /nfs/dbraw/zinc/07/89/95/396078995.db2.gz XNSWXKYWTJNZED-CYBMUJFWSA-N 1 0 302.382 0.953 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)N2CCOCC2)n1 ZINC000069538549 396082883 /nfs/dbraw/zinc/08/28/83/396082883.db2.gz OUVLJWSZIUBQBU-WFASDCNBSA-N 1 0 321.425 0.607 50 0 DCAARO C[NH+](C)[C@H](CNC(=O)CCN1C(=O)CCC1=O)c1ccccc1 ZINC000069565932 396082904 /nfs/dbraw/zinc/08/29/04/396082904.db2.gz INHALJBMWCAYRI-CQSZACIVSA-N 1 0 317.389 0.945 50 0 DCAARO CC[NH+]1CCN(c2ccc(C(=O)NCCCC(N)=O)cc2)CC1 ZINC000076082786 396196031 /nfs/dbraw/zinc/19/60/31/396196031.db2.gz TWVVVPAYULLRMW-UHFFFAOYSA-N 1 0 318.421 0.824 50 0 DCAARO CC[NH+]1CCN(CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC1 ZINC000076425145 396204071 /nfs/dbraw/zinc/20/40/71/396204071.db2.gz QKRPCGYCGAWYHY-MRXNPFEDSA-N 1 0 318.421 0.227 50 0 DCAARO COc1coc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1=O ZINC000282277849 396277148 /nfs/dbraw/zinc/27/71/48/396277148.db2.gz JYAWLXNPXVGCRW-GFCCVEGCSA-N 1 0 324.377 0.879 50 0 DCAARO COc1ccc(CCNC(=O)CN2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000077439767 396221950 /nfs/dbraw/zinc/22/19/50/396221950.db2.gz FHTPWFNDYNDEFG-GOEBONIOSA-N 1 0 303.406 0.648 50 0 DCAARO CN(C(=O)c1cc(N2CCNC2=O)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000179114982 396222259 /nfs/dbraw/zinc/22/22/59/396222259.db2.gz NRHNUJWEJDQEKI-LLVKDONJSA-N 1 0 306.341 0.789 50 0 DCAARO CN(C)C(=O)c1ccc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)o1 ZINC000077487566 396223948 /nfs/dbraw/zinc/22/39/48/396223948.db2.gz UBCVASDKWJWGAT-UHFFFAOYSA-N 1 0 320.349 0.155 50 0 DCAARO Cc1cc(C(F)(F)F)nc(CNC[C@]2(O)C[NH2+]CCOC2)n1 ZINC000077472526 396224062 /nfs/dbraw/zinc/22/40/62/396224062.db2.gz KUSRYZJEXRNDNM-GFCCVEGCSA-N 1 0 320.315 0.244 50 0 DCAARO C[NH+](C)Cc1ccc(N2CCN(C(=O)C(C)(C)O)CC2)nc1 ZINC000191815359 396425261 /nfs/dbraw/zinc/42/52/61/396425261.db2.gz IJILWLOLRDXARH-UHFFFAOYSA-N 1 0 306.410 0.563 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)NCCCn2cc(Cl)cn2)CC1 ZINC000584894647 396634449 /nfs/dbraw/zinc/63/44/49/396634449.db2.gz FOHNALMYABVXAB-UHFFFAOYSA-N 1 0 313.833 0.680 50 0 DCAARO COCCn1cnnc1[C@@H](C)NC(=O)C[NH+]1CCCCCC1 ZINC000584899177 396636630 /nfs/dbraw/zinc/63/66/30/396636630.db2.gz JLABRSMATGOJJM-CYBMUJFWSA-N 1 0 309.414 0.978 50 0 DCAARO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000584903225 396636789 /nfs/dbraw/zinc/63/67/89/396636789.db2.gz PQAKXSBDFVXFQD-CYBMUJFWSA-N 1 0 320.393 0.487 50 0 DCAARO CN1CC[NH+](C[C@H]2CCCN(c3ccc(C(N)=O)cn3)C2)CC1 ZINC000363405049 397170712 /nfs/dbraw/zinc/17/07/12/397170712.db2.gz CAXIKOACKDBQTN-CQSZACIVSA-N 1 0 317.437 0.644 50 0 DCAARO CCn1ccnc(N2CCC([NH2+]Cc3cncn3C)CC2)c1=O ZINC000329519918 159098742 /nfs/dbraw/zinc/09/87/42/159098742.db2.gz OCJOPVWWDXUZBS-UHFFFAOYSA-N 1 0 316.409 0.755 50 0 DCAARO CCOc1ccc(OCCNC(=O)C[N@H+](C)C[C@H](C)O)cc1 ZINC000131273697 196156255 /nfs/dbraw/zinc/15/62/55/196156255.db2.gz SEJHFXLDEZKBGI-ZDUSSCGKSA-N 1 0 310.394 0.893 50 0 DCAARO CC[NH+]1CCN(C[C@@H](O)COc2cccc(C(=O)OC)c2)CC1 ZINC000025561400 415160942 /nfs/dbraw/zinc/16/09/42/415160942.db2.gz JKNZPZWKDBUYTJ-OAHLLOKOSA-N 1 0 322.405 0.850 50 0 DCAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NC(N)=O ZINC000026298664 415170129 /nfs/dbraw/zinc/17/01/29/415170129.db2.gz IHYKXKHYYWUYHL-SNVBAGLBSA-N 1 0 302.338 0.455 50 0 DCAARO CC(=O)Nc1ccc(OCCN2CC[NH+](CCO)CC2)cc1 ZINC000045068804 415243982 /nfs/dbraw/zinc/24/39/82/415243982.db2.gz URIFNBYHHWEOSM-UHFFFAOYSA-N 1 0 307.394 0.634 50 0 DCAARO CCC[N@H+](CCO)CC1=C(C(=O)OCC)[C@@H](CC)NC(=O)N1 ZINC000044889298 415228428 /nfs/dbraw/zinc/22/84/28/415228428.db2.gz FKXCOEVJORUXFI-LLVKDONJSA-N 1 0 313.398 0.599 50 0 DCAARO O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058196429 415343694 /nfs/dbraw/zinc/34/36/94/415343694.db2.gz UZFSGJNQBIHLLX-STQMWFEESA-N 1 0 315.439 0.443 50 0 DCAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)on1 ZINC000072268017 415413788 /nfs/dbraw/zinc/41/37/88/415413788.db2.gz LOQWVOYMFSUCGD-GXSJLCMTSA-N 1 0 304.354 0.815 50 0 DCAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H](C)C(N)=O)cnn2c1 ZINC000067674565 415378960 /nfs/dbraw/zinc/37/89/60/415378960.db2.gz ARSFWNVZFYHUHJ-SNVBAGLBSA-N 1 0 318.381 0.175 50 0 DCAARO Cc1nn(CC(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)c(C)c1C ZINC000067817876 415387333 /nfs/dbraw/zinc/38/73/33/415387333.db2.gz YSPICTDJKKKFKH-KGLIPLIRSA-N 1 0 321.425 0.261 50 0 DCAARO CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H]3CN(C)CC[N@@H+]3C2)c1 ZINC000067934706 415388266 /nfs/dbraw/zinc/38/82/66/415388266.db2.gz IBKJLYAAHXAUSC-HOTGVXAUSA-N 1 0 316.405 0.763 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1c(C)n[nH]c1C ZINC000067868059 415390365 /nfs/dbraw/zinc/39/03/65/415390365.db2.gz QQPSTXNYFILQSK-AAEUAGOBSA-N 1 0 307.398 0.023 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000075133588 415438744 /nfs/dbraw/zinc/43/87/44/415438744.db2.gz RTCBBWZMXBCWDX-QWHCGFSZSA-N 1 0 308.382 0.014 50 0 DCAARO Cn1c(Cn2cccn2)nnc1[C@H]1CCC[N@H+](CCC(N)=O)C1 ZINC000095353083 415549210 /nfs/dbraw/zinc/54/92/10/415549210.db2.gz VJAJEWSFUYECRC-LBPRGKRZSA-N 1 0 317.397 0.115 50 0 DCAARO CNC(=O)c1noc(CNC(=O)CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000095354312 415554388 /nfs/dbraw/zinc/55/43/88/415554388.db2.gz YCWALJVYQARNCV-SNVBAGLBSA-N 1 0 309.370 0.167 50 0 DCAARO O=C(NCCN1CCNC1=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095362915 415554605 /nfs/dbraw/zinc/55/46/05/415554605.db2.gz HNRDVFYECYECQI-ZDUSSCGKSA-N 1 0 320.393 0.633 50 0 DCAARO Cc1ccc(CN(C)C(=O)CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)o1 ZINC000106869309 415651180 /nfs/dbraw/zinc/65/11/80/415651180.db2.gz ZGCXNPHCLQVQAT-KBPBESRZSA-N 1 0 323.437 0.933 50 0 DCAARO C[N@@H+]1CCN2CCN(C(=O)CCc3cccc(O)c3)C[C@H]2C1 ZINC000299775117 416065668 /nfs/dbraw/zinc/06/56/68/416065668.db2.gz HFCHEICEVJGXNJ-OAHLLOKOSA-N 1 0 303.406 0.783 50 0 DCAARO C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1cncs1 ZINC000299783744 416068414 /nfs/dbraw/zinc/06/84/14/416068414.db2.gz WTUDPBBMHHNQBH-LLVKDONJSA-N 1 0 310.423 0.816 50 0 DCAARO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000248697037 416333813 /nfs/dbraw/zinc/33/38/13/416333813.db2.gz LKVNSWIGINNQBN-KGLIPLIRSA-N 1 0 318.487 0.331 50 0 DCAARO CCc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)cc(=O)[nH]1 ZINC000216344778 416327345 /nfs/dbraw/zinc/32/73/45/416327345.db2.gz RBTRZEQTTZFYFM-GFCCVEGCSA-N 1 0 307.394 0.371 50 0 DCAARO Cc1cc(C(=O)N2CCC[NH2+]CC2)cc(S(N)(=O)=O)c1C ZINC000237686258 416328715 /nfs/dbraw/zinc/32/87/15/416328715.db2.gz OCEQGGUGNBBQGF-UHFFFAOYSA-N 1 0 311.407 0.386 50 0 DCAARO [NH3+]Cc1ccc(C(=O)N2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000237958117 416329129 /nfs/dbraw/zinc/32/91/29/416329129.db2.gz ONNGBHZVCXBVPR-OAHLLOKOSA-N 1 0 303.406 0.940 50 0 DCAARO CCn1c(CN2CCCN(C(C)=O)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000241081921 416329913 /nfs/dbraw/zinc/32/99/13/416329913.db2.gz YSOJETWNWVYKOH-OKILXGFUSA-N 1 0 320.441 0.557 50 0 DCAARO COc1ccc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cn1 ZINC000244633689 416330325 /nfs/dbraw/zinc/33/03/25/416330325.db2.gz GHWAVQROBADXPR-IIAWOOMASA-N 1 0 319.405 0.959 50 0 DCAARO Nc1n[nH]c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000534645890 416505869 /nfs/dbraw/zinc/50/58/69/416505869.db2.gz FGKFZVQZKMYDQH-UHFFFAOYSA-N 1 0 300.366 0.781 50 0 DCAARO Nc1n[nH]c(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000534653721 416506544 /nfs/dbraw/zinc/50/65/44/416506544.db2.gz CNPDZKUTMVGBPZ-LLVKDONJSA-N 1 0 306.414 0.700 50 0 DCAARO O=C(CC[N@H+]1C[C@@H](O)[C@H](n2ccnn2)C1)Nc1cccc(F)c1 ZINC000585116324 416518842 /nfs/dbraw/zinc/51/88/42/416518842.db2.gz QTPOGHKYPNOUPH-ZIAGYGMSSA-N 1 0 319.340 0.664 50 0 DCAARO COCCOCC[N@H+](C)CCC(=O)N1CCCSCC1 ZINC000585120978 416519036 /nfs/dbraw/zinc/51/90/36/416519036.db2.gz AUNANYJWLVSCIU-UHFFFAOYSA-N 1 0 304.456 0.937 50 0 DCAARO Nc1n[nH]c(CCNC(=O)C2CC[NH+](C3CCCC3)CC2)n1 ZINC000426726872 416782918 /nfs/dbraw/zinc/78/29/18/416782918.db2.gz LYVXEYKPIRRVES-UHFFFAOYSA-N 1 0 306.414 0.700 50 0 DCAARO CCS(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000457197981 417695743 /nfs/dbraw/zinc/69/57/43/417695743.db2.gz AVXWKGGLLZNTDI-LBPRGKRZSA-N 1 0 319.471 0.505 50 0 DCAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)NC(N)=O ZINC000029069935 274275803 /nfs/dbraw/zinc/27/58/03/274275803.db2.gz VUGLXTSWYRLWIR-NSHDSACASA-N 1 0 316.365 0.845 50 0 DCAARO CC[N@H+](CCCOc1ccc(C(N)=O)cc1)[C@H]1COC[C@@H]1O ZINC000244691881 279186592 /nfs/dbraw/zinc/18/65/92/279186592.db2.gz JKTORQIGESQDQJ-GJZGRUSLSA-N 1 0 308.378 0.636 50 0 DCAARO C[C@H](C(=O)NC(N)=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000023249383 279218183 /nfs/dbraw/zinc/21/81/83/279218183.db2.gz PBUWSGGJBSYAJG-CYBMUJFWSA-N 1 0 304.394 0.430 50 0 DCAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C)COC)CC1 ZINC000071920300 279359033 /nfs/dbraw/zinc/35/90/33/279359033.db2.gz NMGSLWHDVPUMCN-KBPBESRZSA-N 1 0 300.447 0.594 50 0 DCAARO C[NH+](C)[C@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@@H]1O ZINC000556978691 288405685 /nfs/dbraw/zinc/40/56/85/288405685.db2.gz RGNXMUBOBIXUQT-RYUDHWBXSA-N 1 0 300.305 0.477 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN([C@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1C ZINC000106868096 290117538 /nfs/dbraw/zinc/11/75/38/290117538.db2.gz RDAFNZFGVMKGIS-HUBLWGQQSA-N 1 0 309.385 0.739 50 0 DCAARO NC(=O)C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000051186151 295036078 /nfs/dbraw/zinc/03/60/78/295036078.db2.gz LSHFXNLYGJTDIL-KGLIPLIRSA-N 1 0 309.410 0.354 50 0 DCAARO NC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000249089685 295107456 /nfs/dbraw/zinc/10/74/56/295107456.db2.gz CWCULIKULCJJDQ-BBBLOLIVSA-N 1 0 307.316 0.783 50 0 DCAARO C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000328587647 300698744 /nfs/dbraw/zinc/69/87/44/300698744.db2.gz DSXAKFMOQBRAEM-CIQGVGRVSA-N 1 0 300.424 0.410 50 0 DCAARO Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]C3)cnc2cc(=O)[nH]n21 ZINC000534581841 334289635 /nfs/dbraw/zinc/28/96/35/334289635.db2.gz BVKRLHHRWNOPJQ-QWRGUYRKSA-N 1 0 301.350 0.567 50 0 DCAARO C[C@H](C(=O)N1CC[C@H](C[NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000299738582 534293073 /nfs/dbraw/zinc/29/30/73/534293073.db2.gz CJVZUMHXCINPMU-GHMZBOCLSA-N 1 0 314.382 0.795 50 0 DCAARO O=C(NCCc1ccc(-n2cccn2)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000299748551 534446151 /nfs/dbraw/zinc/44/61/51/534446151.db2.gz HKUUIVVXNTZDJE-HUUCEWRRSA-N 1 0 300.362 0.254 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000126194701 524691652 /nfs/dbraw/zinc/69/16/52/524691652.db2.gz IGMZXVJDHRGFLC-NSHDSACASA-N 1 0 301.350 0.002 50 0 DCAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1nccn1C ZINC000084736438 545705281 /nfs/dbraw/zinc/70/52/81/545705281.db2.gz GKGDHGPPHPNFDR-NEPJUHHUSA-N 1 0 300.428 0.570 50 0 DCAARO C[NH2+]CC1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000088960734 545713881 /nfs/dbraw/zinc/71/38/81/545713881.db2.gz KRNXEFJHFMEGLN-VXGBXAGGSA-N 1 0 305.444 0.272 50 0 DCAARO Cn1ccnc1C(=O)N1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000215727720 545937134 /nfs/dbraw/zinc/93/71/34/545937134.db2.gz GVMHOHPERQMKIC-CYBMUJFWSA-N 1 0 306.410 0.729 50 0 DCAARO [NH3+][C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000222667266 545941306 /nfs/dbraw/zinc/94/13/06/545941306.db2.gz DBAQOHSASABUCN-YVECIDJPSA-N 1 0 300.355 0.360 50 0 DCAARO C[C@@H]1C(=O)N(C)CN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685942411 548747917 /nfs/dbraw/zinc/74/79/17/548747917.db2.gz PNZBYFBALBDTCH-SNVBAGLBSA-N 1 0 305.382 0.479 50 0 DCAARO CCOC(=O)CCS(=O)(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000685944896 548749401 /nfs/dbraw/zinc/74/94/01/548749401.db2.gz GVPIDXFKMVQZML-RYUDHWBXSA-N 1 0 318.439 0.732 50 0 DCAARO [NH3+]CCn1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccn2)nn1 ZINC000888101341 661181148 /nfs/dbraw/zinc/18/11/48/661181148.db2.gz LHAKWYLQYHTBBO-JSGCOSHPSA-N 1 0 314.393 0.773 50 0 DCAARO COCc1cc(CNc2nc(N(C)C)nc3c2CC[NH2+]C3)[nH]n1 ZINC000067446713 662095175 /nfs/dbraw/zinc/09/51/75/662095175.db2.gz CHEXVSJMLHNSBQ-UHFFFAOYSA-N 1 0 317.397 0.670 50 0 DCAARO COCCOC[C@H](O)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000043741115 669832961 /nfs/dbraw/zinc/83/29/61/669832961.db2.gz JRIGTVRHELNNNO-QLFBSQMISA-N 1 0 322.405 0.291 50 0 DCAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCC(=O)Nc1nncs1)C2 ZINC000952989407 685602507 /nfs/dbraw/zinc/60/25/07/685602507.db2.gz QJHMQDDLWSZKJF-WDEREUQCSA-N 1 0 323.422 0.952 50 0 DCAARO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)c1nc(C)c[nH]1 ZINC000952963586 685598384 /nfs/dbraw/zinc/59/83/84/685598384.db2.gz JCWDBCSCZKJVMX-NWDGAFQWSA-N 1 0 307.398 0.483 50 0 DCAARO C[C@@H](CS(=O)(=O)N(C)C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000952992391 685602628 /nfs/dbraw/zinc/60/26/28/685602628.db2.gz LWESNQXLFVAQFX-CMPLNLGQSA-N 1 0 300.428 0.667 50 0 DCAARO Cc1ncc(CO)c(CNCCC[N@@H+]2CCCC[C@@H]2CO)c1O ZINC000952976160 685600801 /nfs/dbraw/zinc/60/08/01/685600801.db2.gz QGANRSHMJMAFMD-OAHLLOKOSA-N 1 0 323.437 0.914 50 0 DCAARO O=C(C[NH+]1CCCCCC1)NC[C@@H]1CCCN(C(=O)CO)C1 ZINC000952981001 685600898 /nfs/dbraw/zinc/60/08/98/685600898.db2.gz YHYOGCFVRNPPEY-AWEZNQCLSA-N 1 0 311.426 0.210 50 0 DCAARO O=C(NC[C@H]1CCCO1)[C@H]1C[NH2+]C[C@@H](COc2cccnc2)C1 ZINC000014747582 685048873 /nfs/dbraw/zinc/04/88/73/685048873.db2.gz LWHMFSWBNINSPV-SQWLQELKSA-N 1 0 319.405 0.981 50 0 DCAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000067725704 685069254 /nfs/dbraw/zinc/06/92/54/685069254.db2.gz CYTUBFUBJDXIAS-GJZGRUSLSA-N 1 0 321.396 0.667 50 0 DCAARO NC(=O)CCn1cc(-c2cc(F)cc3c2O[C@H](C[NH3+])C3)cn1 ZINC000067675556 685069379 /nfs/dbraw/zinc/06/93/79/685069379.db2.gz HYIILQQUKNWZDQ-LBPRGKRZSA-N 1 0 304.325 0.827 50 0 DCAARO C[N@@H+]1CCCC[C@@H]1CCn1ncc(N2CCOCC2)cc1=O ZINC000095361428 685111864 /nfs/dbraw/zinc/11/18/64/685111864.db2.gz AOKYTEUIVQTRNK-CQSZACIVSA-N 1 0 306.410 0.954 50 0 DCAARO C[NH+](C)[C@H](CNC(=O)c1cnc(C(N)=O)cn1)c1cccs1 ZINC001772701817 1157840378 /nfs/dbraw/zinc/84/03/78/1157840378.db2.gz ACYXKYGREFHIDJ-LLVKDONJSA-N 1 0 319.390 0.670 50 0 DCAARO CSCC(=O)N1CCCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001772708704 1157846246 /nfs/dbraw/zinc/84/62/46/1157846246.db2.gz AUNLLPFIHCDHRC-CYBMUJFWSA-N 1 0 313.467 0.752 50 0 DCAARO Cc1c(Cl)c(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)nn1C ZINC001704312437 1179968815 /nfs/dbraw/zinc/96/88/15/1179968815.db2.gz RXNODGAMASFCPF-QWRGUYRKSA-N 1 0 312.801 0.785 50 0 DCAARO COc1ccc(C[C@H]([NH3+])C(=O)N(CCO)Cc2ncc[nH]2)cc1 ZINC001704330243 1179974701 /nfs/dbraw/zinc/97/47/01/1179974701.db2.gz HHAGMXRQDMLAHO-AWEZNQCLSA-N 1 0 318.377 0.309 50 0 DCAARO CNC(=O)c1cccnc1N1CC[C@@]2(CO)CCC[N@H+](C)[C@@H]2C1 ZINC001704343322 1179980334 /nfs/dbraw/zinc/98/03/34/1179980334.db2.gz WCSRSTBOUJUOFW-RHSMWYFYSA-N 1 0 318.421 0.724 50 0 DCAARO CS(=O)(=O)N1CC[C@@H](CC(=O)NCC[NH+]2CCCCC2)C1 ZINC000581783264 747684547 /nfs/dbraw/zinc/68/45/47/747684547.db2.gz NFDXXXUVZCMSTF-ZDUSSCGKSA-N 1 0 317.455 0.260 50 0 DCAARO C[C@@H](Cn1cncn1)C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000820621542 758149631 /nfs/dbraw/zinc/14/96/31/758149631.db2.gz WTLBLOGEBHHXJU-ZDUSSCGKSA-N 1 0 323.466 0.954 50 0 DCAARO CCS(=O)(=O)N1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000823413024 758246433 /nfs/dbraw/zinc/24/64/33/758246433.db2.gz MTEUIXFQWCBCSK-UHFFFAOYSA-N 1 0 317.455 0.356 50 0 DCAARO C[N@@H+]1CC[C@](C)(CNS(=O)(=O)c2cc(C(N)=O)cs2)C1 ZINC000823755051 758264396 /nfs/dbraw/zinc/26/43/96/758264396.db2.gz VTCVONMCKSAIBG-GFCCVEGCSA-N 1 0 317.436 0.467 50 0 DCAARO Cn1nc(C(=O)N2CC[C@H](CO)[C@H]([NH+](C)C)C2)c2ccccc21 ZINC000581798024 760251353 /nfs/dbraw/zinc/25/13/53/760251353.db2.gz DIDXSISXGMOMLQ-IUODEOHRSA-N 1 0 316.405 0.958 50 0 DCAARO O=C(CCn1cnnc1)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000219566897 766270967 /nfs/dbraw/zinc/27/09/67/766270967.db2.gz ODUAPOHRKGVSCH-CABCVRRESA-N 1 0 321.425 0.221 50 0 DCAARO NC(=O)CCCN1CC[N@@H+](C2Cc3ccccc3C2)C[C@@H](O)C1 ZINC000219636313 766274585 /nfs/dbraw/zinc/27/45/85/766274585.db2.gz PPBNLWQWOJGGAV-KRWDZBQOSA-N 1 0 317.433 0.398 50 0 DCAARO C[C@@H]([NH2+]CC1(O)CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCOC1 ZINC000585117076 766285904 /nfs/dbraw/zinc/28/59/04/766285904.db2.gz QKILWMWRLMYYOT-VXGBXAGGSA-N 1 0 300.399 0.983 50 0 DCAARO CS[C@@H](C)C(=O)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000952863583 768915783 /nfs/dbraw/zinc/91/57/83/768915783.db2.gz USZYEKIEVKCITL-ZDUSSCGKSA-N 1 0 315.483 0.339 50 0 DCAARO O=C(C[NH+]1CCCC1)NC[C@H]1CCCN(c2cnsn2)C1 ZINC000952868823 768924098 /nfs/dbraw/zinc/92/40/98/768924098.db2.gz BCSBFFOISZJJNW-GFCCVEGCSA-N 1 0 309.439 0.967 50 0 DCAARO C[C@@H](NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)c1ccc(O)cc1 ZINC000952874093 768937291 /nfs/dbraw/zinc/93/72/91/768937291.db2.gz URZDJKJLFSHFHA-YPMHNXCESA-N 1 0 305.378 0.767 50 0 DCAARO CS(=O)(=O)N1CC(CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000952876959 768940625 /nfs/dbraw/zinc/94/06/25/768940625.db2.gz JALAXIMRPXSEGB-OAHLLOKOSA-N 1 0 309.435 0.524 50 0 DCAARO CCCc1nc(N2CCC([NH+]3CCN(CCO)CC3)CC2)no1 ZINC001529098904 1014495066 /nfs/dbraw/zinc/49/50/66/1014495066.db2.gz OZBOICLSOBUHGP-UHFFFAOYSA-N 1 0 323.441 0.601 50 0 DCAARO C[N@@H+]1CCC[C@@H](C(=O)N2CCCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001529185612 1014517358 /nfs/dbraw/zinc/51/73/58/1014517358.db2.gz OOMUAPIROQHXPF-CYBMUJFWSA-N 1 0 319.409 0.426 50 0 DCAARO Cc1cc(S(=O)(=O)NC[C@@]2(O)CC[NH2+]C2)c(Cl)cc1F ZINC001506398359 1017251959 /nfs/dbraw/zinc/25/19/59/1017251959.db2.gz LROSSJDZKVZPRX-GFCCVEGCSA-N 1 0 322.789 0.790 50 0 DCAARO C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN(C(N)=O)C1)CC2 ZINC001506396133 1017252709 /nfs/dbraw/zinc/25/27/09/1017252709.db2.gz AHDRYNNJXUDEGU-ZDUSSCGKSA-N 1 0 308.426 0.721 50 0 DCAARO CN(CC[NH2+][C@@H]1CCC(=O)N(CC2CC2)CC1)S(C)(=O)=O ZINC001506407649 1017259019 /nfs/dbraw/zinc/25/90/19/1017259019.db2.gz KSQVUQIYZPCUKO-CYBMUJFWSA-N 1 0 317.455 0.259 50 0 DCAARO C[C@H](CN(C)CCO)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001506414636 1017263977 /nfs/dbraw/zinc/26/39/77/1017263977.db2.gz HDLHJUBHHFYMFG-CQSZACIVSA-N 1 0 312.458 0.569 50 0 DCAARO CN(C)C(=O)c1cccc(N2CCOC[C@H](C[NH+](C)C)C2)n1 ZINC001506421059 1017267113 /nfs/dbraw/zinc/26/71/13/1017267113.db2.gz DWBMDZATYYBJDC-CYBMUJFWSA-N 1 0 306.410 0.798 50 0 DCAARO O=C1CN(CCC[NH2+][C@H]2CCN(c3ccccc3)C2)CCN1 ZINC001506424275 1017267361 /nfs/dbraw/zinc/26/73/61/1017267361.db2.gz KEOJYOYMPGQWHQ-HNNXBMFYSA-N 1 0 302.422 0.677 50 0 DCAARO C[NH+](C)CCN1C[C@@H](C(=O)N2Cc3ccccc3C2)CC1=O ZINC000095501550 185375069 /nfs/dbraw/zinc/37/50/69/185375069.db2.gz PKLBHIZZAJELIQ-HNNXBMFYSA-N 1 0 301.390 0.939 50 0 DCAARO [NH3+]CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000095628811 185382997 /nfs/dbraw/zinc/38/29/97/185382997.db2.gz RHLVNHVKSXNHES-GVXVVHGQSA-N 1 0 314.455 0.567 50 0 DCAARO CC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000089977176 185272992 /nfs/dbraw/zinc/27/29/92/185272992.db2.gz BAIHMVBMEPJJSR-NWDGAFQWSA-N 1 0 303.428 0.157 50 0 DCAARO Cn1cc([C@@H](CO)Nc2cc(-n3cccn3)nc(N)[nH+]2)cn1 ZINC000092925521 185349636 /nfs/dbraw/zinc/34/96/36/185349636.db2.gz IECQIUSRWBSQLW-SNVBAGLBSA-N 1 0 300.326 0.124 50 0 DCAARO NC(=O)CN1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000095460387 185370708 /nfs/dbraw/zinc/37/07/08/185370708.db2.gz NPPYAUDXRWWYCI-DYEKYZERSA-N 1 0 315.508 0.905 50 0 DCAARO C[C@@H](O)CN(C)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC000095459706 185370754 /nfs/dbraw/zinc/37/07/54/185370754.db2.gz DLVBAJKFCWPMAM-CQSZACIVSA-N 1 0 320.437 0.961 50 0 DCAARO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)NCCc1cccs1 ZINC000069814198 190822958 /nfs/dbraw/zinc/82/29/58/190822958.db2.gz BFSVCCXZCDEUKR-CHWSQXEVSA-N 1 0 311.451 0.716 50 0 DCAARO CCc1nc(CN2CCC[C@H]([NH2+]CCn3cncn3)C2)no1 ZINC000069895060 190835322 /nfs/dbraw/zinc/83/53/22/190835322.db2.gz LXMGXTYXCHMYJQ-LBPRGKRZSA-N 1 0 305.386 0.478 50 0 DCAARO Cc1nnc(CCC(=O)N2CCC([NH+]3CCC(O)CC3)CC2)[nH]1 ZINC000072134467 191046311 /nfs/dbraw/zinc/04/63/11/191046311.db2.gz LXDWWBAYRVNULH-UHFFFAOYSA-N 1 0 321.425 0.493 50 0 DCAARO [NH3+]CC(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072149057 191054063 /nfs/dbraw/zinc/05/40/63/191054063.db2.gz FLDGTYBMPNWFNZ-INIZCTEOSA-N 1 0 320.412 0.897 50 0 DCAARO [NH3+]CC(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072148470 191054714 /nfs/dbraw/zinc/05/47/14/191054714.db2.gz NRSPXTDYQVHSEU-CQSZACIVSA-N 1 0 320.412 0.897 50 0 DCAARO CCc1nc2c(cnn2C)c(N2CC[NH+](CCOC)CC2)n1 ZINC000072150984 191055731 /nfs/dbraw/zinc/05/57/31/191055731.db2.gz ZRGBYHXUKDKFAS-UHFFFAOYSA-N 1 0 304.398 0.694 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)NCc1cc(-c2ccccn2)no1 ZINC000072168372 191067123 /nfs/dbraw/zinc/06/71/23/191067123.db2.gz DNEGBAJFXAWVNP-LLVKDONJSA-N 1 0 302.334 0.731 50 0 DCAARO CCc1noc(CCNc2nc(N)nc3c2CC[NH2+]CC3)n1 ZINC000072407396 191152863 /nfs/dbraw/zinc/15/28/63/191152863.db2.gz KENDICLJIPSRNL-UHFFFAOYSA-N 1 0 303.370 0.347 50 0 DCAARO CNC(=O)c1ccc(C[NH+]2CCC3(C[NH2+][C@H](C(=O)[O-])C3)CC2)o1 ZINC000072422300 191158885 /nfs/dbraw/zinc/15/88/85/191158885.db2.gz GADWSIFRPJMBCX-LBPRGKRZSA-N 1 0 321.377 0.668 50 0 DCAARO Cc1nc([C@H]2CCC[N@H+](CCO)C2)cc(N2CCOCC2)n1 ZINC000072473883 191177529 /nfs/dbraw/zinc/17/75/29/191177529.db2.gz DJZOGSWGSXVNOD-AWEZNQCLSA-N 1 0 306.410 0.793 50 0 DCAARO Cc1cc(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)no1 ZINC000072886976 191249064 /nfs/dbraw/zinc/24/90/64/191249064.db2.gz UVMZJGDMJVFWOO-LBPRGKRZSA-N 1 0 308.382 0.352 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccccc1 ZINC000004700432 181138859 /nfs/dbraw/zinc/13/88/59/181138859.db2.gz IKAZYGDMROOJEG-OAHLLOKOSA-N 1 0 303.406 0.946 50 0 DCAARO CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000236947958 202088064 /nfs/dbraw/zinc/08/80/64/202088064.db2.gz KNNVKCPKYQHZJY-NWDGAFQWSA-N 1 0 305.444 0.244 50 0 DCAARO CNC(=O)CN1CC[NH+](C[C@]2(c3ccccc3)CCOC2)CC1 ZINC000216131851 283320382 /nfs/dbraw/zinc/32/03/82/283320382.db2.gz POHYGADASLWJBJ-GOSISDBHSA-N 1 0 317.433 0.708 50 0 DCAARO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCn1cc(Cl)cn1 ZINC000244659847 202485672 /nfs/dbraw/zinc/48/56/72/202485672.db2.gz HJVRCIOZFBPUJL-NSHDSACASA-N 1 0 300.790 0.621 50 0 DCAARO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC(OCc2ccccc2)CC1 ZINC000278000026 238332960 /nfs/dbraw/zinc/33/29/60/238332960.db2.gz VBWONBPGBMYUSO-GOEBONIOSA-N 1 0 304.390 0.917 50 0 DCAARO O=S(=O)(Cc1ccccc1Cl)NC[C@H]1C[NH2+]CCO1 ZINC000420480522 240040985 /nfs/dbraw/zinc/04/09/85/240040985.db2.gz OZNHDQVSZXSYGE-LLVKDONJSA-N 1 0 304.799 0.748 50 0 DCAARO Cc1cc(C)c(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(=O)[nH]1 ZINC000091391309 193050902 /nfs/dbraw/zinc/05/09/02/193050902.db2.gz MQWZFXVTXKQTAE-UHFFFAOYSA-N 1 0 319.405 0.929 50 0 DCAARO Cc1cc(C)n(CCC[N@@H+]2C[C@H](NC(=O)CO)[C@@H](C(C)C)C2)n1 ZINC000091410467 193051872 /nfs/dbraw/zinc/05/18/72/193051872.db2.gz YIHGYZKCFBJFQY-CVEARBPZSA-N 1 0 322.453 0.955 50 0 DCAARO CN1CC[NH+](C[C@@H]2CN(c3ncccc3F)C[C@@H]2CO)CC1 ZINC000091416724 193053197 /nfs/dbraw/zinc/05/31/97/193053197.db2.gz ROWLLMVKDPXOIF-ZIAGYGMSSA-N 1 0 308.401 0.513 50 0 DCAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1ncccc1C(N)=O)C2 ZINC000091574986 193074566 /nfs/dbraw/zinc/07/45/66/193074566.db2.gz XLWUBTGACKDMBW-CHWSQXEVSA-N 1 0 304.394 0.728 50 0 DCAARO O=C(Cn1nccn1)N[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1C1CC1 ZINC000091574479 193074739 /nfs/dbraw/zinc/07/47/39/193074739.db2.gz AODGZDDWAVDEET-CABCVRRESA-N 1 0 319.409 0.284 50 0 DCAARO CNC(=O)c1cccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)c1 ZINC000091643764 193084243 /nfs/dbraw/zinc/08/42/43/193084243.db2.gz UDKURSDFHUITAB-KGLIPLIRSA-N 1 0 323.418 0.404 50 0 DCAARO COCC[N@H+](C)C[C@H]1C[C@@H](CO)CN(c2nccnc2C)C1 ZINC000091657355 193085886 /nfs/dbraw/zinc/08/58/86/193085886.db2.gz CPEUTZKZWKWNQF-HUUCEWRRSA-N 1 0 308.426 0.798 50 0 DCAARO CC[N@H+](CCO)C[C@@H]1CN(c2ncnc3c2CCC3)C[C@@H]1CO ZINC000091934807 193129064 /nfs/dbraw/zinc/12/90/64/193129064.db2.gz ORQJZPPSKZMEPN-ZIAGYGMSSA-N 1 0 320.437 0.324 50 0 DCAARO CN1CC[NH+](C[C@@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019771153 182145191 /nfs/dbraw/zinc/14/51/91/182145191.db2.gz UMKHHVFLPHOCOC-HUUCEWRRSA-N 1 0 322.405 0.451 50 0 DCAARO CC[NH+]1CCN([C@@H](C)CNC(=O)Nc2nnc(C)s2)CC1 ZINC000043406778 183359156 /nfs/dbraw/zinc/35/91/56/183359156.db2.gz JVNSWOJUENYREL-JTQLQIEISA-N 1 0 312.443 0.994 50 0 DCAARO CCC[NH+]1CCN(C(=O)c2cccnc2-n2cncn2)CC1 ZINC000043607968 183375108 /nfs/dbraw/zinc/37/51/08/183375108.db2.gz LGHQFGCKSAYZFF-UHFFFAOYSA-N 1 0 300.366 0.830 50 0 DCAARO O=C([C@H]1C[NH2+]CCO1)N1CCN(c2ccccc2Cl)CC1 ZINC000043707870 183382593 /nfs/dbraw/zinc/38/25/93/183382593.db2.gz GXLVQVKNNFDGHN-CQSZACIVSA-N 1 0 309.797 0.977 50 0 DCAARO CCCSc1ncc(C[NH2+]CCNS(C)(=O)=O)cn1 ZINC000063856135 184289628 /nfs/dbraw/zinc/28/96/28/184289628.db2.gz DUHXCFUXWGNJPJ-UHFFFAOYSA-N 1 0 304.441 0.618 50 0 DCAARO Cc1cnc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)cn1 ZINC000065422775 184341930 /nfs/dbraw/zinc/34/19/30/184341930.db2.gz HHNUHZFAPGEUMY-LBPRGKRZSA-N 1 0 315.381 0.306 50 0 DCAARO CN1CCO[C@@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000065611160 184373082 /nfs/dbraw/zinc/37/30/82/184373082.db2.gz LWGFWDQXUTVTDT-ZDUSSCGKSA-N 1 0 305.357 0.827 50 0 DCAARO CC(=O)NCCNC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000065593617 184370512 /nfs/dbraw/zinc/37/05/12/184370512.db2.gz AQGDKMWVHOTTBA-AWEZNQCLSA-N 1 0 319.409 0.068 50 0 DCAARO C[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000069161055 184502374 /nfs/dbraw/zinc/50/23/74/184502374.db2.gz WDLJDQFEIVQJCA-GXTWGEPZSA-N 1 0 308.378 0.759 50 0 DCAARO COc1cc2c(cc1CN1C[C@H]([NH+](C)C)C[C@H]1CO)OCCO2 ZINC000216473384 257273766 /nfs/dbraw/zinc/27/37/66/257273766.db2.gz KNCCMNGWHDGBFC-KGLIPLIRSA-N 1 0 322.405 0.963 50 0 DCAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Cn1c(C)nc2ccccc21 ZINC000426734183 257243113 /nfs/dbraw/zinc/24/31/13/257243113.db2.gz XKVVEBLFMSWAAN-ZFWWWQNUSA-N 1 0 302.378 0.790 50 0 DCAARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1nc2ccccc2[nH]1 ZINC000426739123 257243617 /nfs/dbraw/zinc/24/36/17/257243617.db2.gz WONVXKXDVLOVGS-LBPRGKRZSA-N 1 0 301.394 0.467 50 0 DCAARO C[C@H](C(=O)NCc1csc(N(C)C)n1)N1CCN(C)CC1 ZINC000426582828 257245799 /nfs/dbraw/zinc/24/57/99/257245799.db2.gz NKFATLPWMNUEQX-LLVKDONJSA-N 1 0 311.455 0.461 50 0 DCAARO Cc1c(C(=O)NCC2([NH+](C)C)CCOCC2)cnc2ccnn21 ZINC000426503689 257248562 /nfs/dbraw/zinc/24/85/62/257248562.db2.gz UGKDBZMZAGTHKL-UHFFFAOYSA-N 1 0 317.393 0.878 50 0 DCAARO COCC[N@@H+]1CC[C@H](CNC(=O)N2CCc3[nH]nc(C)c3C2)C1 ZINC000426383322 257252478 /nfs/dbraw/zinc/25/24/78/257252478.db2.gz PZISPXWSUULCGO-CYBMUJFWSA-N 1 0 321.425 0.754 50 0 DCAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CC(=O)N[C@H]2CCCCNC2=O)c1 ZINC000252475030 257258876 /nfs/dbraw/zinc/25/88/76/257258876.db2.gz QZDZTZPJYMTXFM-MCIONIFRSA-N 1 0 321.425 0.516 50 0 DCAARO Cc1nn(C)c2ncc(C[NH2+][C@H]3COC[C@H]3n3ccnn3)cc12 ZINC000284991502 131129180 /nfs/dbraw/zinc/12/91/80/131129180.db2.gz ZEPXJKUWARUILJ-UONOGXRCSA-N 1 0 313.365 0.598 50 0 DCAARO [NH3+]CC1CCN(c2cnn(C[C@H]3CCCCO3)c(=O)c2)CC1 ZINC000020207254 134644310 /nfs/dbraw/zinc/64/43/10/134644310.db2.gz DSZXCXWAUNITFQ-OAHLLOKOSA-N 1 0 306.410 0.988 50 0 DCAARO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCC(N)=O ZINC000008497889 395684674 /nfs/dbraw/zinc/68/46/74/395684674.db2.gz MFCYCODSWAGKKS-QMMMGPOBSA-N 1 0 302.758 0.683 50 0 DCAARO Cc1nccn1CCNC(=O)[C@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000012445795 395687761 /nfs/dbraw/zinc/68/77/61/395687761.db2.gz UWWDDVGMYJDJLD-AWEZNQCLSA-N 1 0 321.425 0.108 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc2nonc21 ZINC000013690785 395688876 /nfs/dbraw/zinc/68/88/76/395688876.db2.gz WCYJRFGPPSTHIM-SNVBAGLBSA-N 1 0 317.349 0.762 50 0 DCAARO CCOc1ccc(CC(C(=O)NC)C(=O)NC)cc1C[NH+](C)C ZINC000022135276 395691700 /nfs/dbraw/zinc/69/17/00/395691700.db2.gz NJTGROHLDGJHEV-UHFFFAOYSA-N 1 0 321.421 0.798 50 0 DCAARO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+](CCO)CCO)c1 ZINC000002359766 395681429 /nfs/dbraw/zinc/68/14/29/395681429.db2.gz CMLATRHHORKTLL-LBPRGKRZSA-N 1 0 303.786 0.675 50 0 DCAARO Cn1c(C(=O)NCC[NH+](C)C)cc2c1nc1ccccn1c2=O ZINC000002917022 395682015 /nfs/dbraw/zinc/68/20/15/395682015.db2.gz CWTSHLPAZQAXOQ-UHFFFAOYSA-N 1 0 313.361 0.478 50 0 DCAARO CC(=O)NCCNC(=O)C[N@H+](C)CCCOc1ccccc1 ZINC000029853676 395700527 /nfs/dbraw/zinc/70/05/27/395700527.db2.gz WGZKEUWMQOYSPX-UHFFFAOYSA-N 1 0 307.394 0.640 50 0 DCAARO COCCn1c(=O)c2ccccc2nc1C(=O)NCC[NH+](C)C ZINC000031813605 395708664 /nfs/dbraw/zinc/70/86/64/395708664.db2.gz JOYRAUQZNZMZGE-UHFFFAOYSA-N 1 0 318.377 0.334 50 0 DCAARO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000032230029 395709397 /nfs/dbraw/zinc/70/93/97/395709397.db2.gz RHYBOLJDONTVES-UONOGXRCSA-N 1 0 313.419 0.820 50 0 DCAARO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000089274458 395709566 /nfs/dbraw/zinc/70/95/66/395709566.db2.gz SPMBSNRXFQQBKP-CQSZACIVSA-N 1 0 313.423 0.864 50 0 DCAARO CCc1nc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)no1 ZINC000089290014 395709836 /nfs/dbraw/zinc/70/98/36/395709836.db2.gz JSFJQVMVZMBNGN-LBPRGKRZSA-N 1 0 307.398 0.546 50 0 DCAARO CCn1cnnc1CNC(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000089310133 395710074 /nfs/dbraw/zinc/71/00/74/395710074.db2.gz HIEIWIAXTTYJPM-ZDUSSCGKSA-N 1 0 323.445 0.123 50 0 DCAARO CN(C[C@H](O)CN1CC[NH+](C)CC1)C(=O)CC1=CCCCC1 ZINC000089382642 395710384 /nfs/dbraw/zinc/71/03/84/395710384.db2.gz KEAIFESUPWMBPB-INIZCTEOSA-N 1 0 309.454 0.944 50 0 DCAARO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)NC(=O)NC1CC1 ZINC000089819068 395715199 /nfs/dbraw/zinc/71/51/99/395715199.db2.gz HTTHKGQFOHLDPN-CQSZACIVSA-N 1 0 308.426 0.925 50 0 DCAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]CCCS(C)(=O)=O)CC2 ZINC000089893734 395715800 /nfs/dbraw/zinc/71/58/00/395715800.db2.gz GUTWKGUWYMPERQ-NSHDSACASA-N 1 0 300.428 0.741 50 0 DCAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)Nc1cccc2n[nH]nc21 ZINC000096165857 395746534 /nfs/dbraw/zinc/74/65/34/395746534.db2.gz ANYJOQUWGZENKK-NSHDSACASA-N 1 0 318.381 0.926 50 0 DCAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCOC[C@@H]2C)CC1 ZINC000096444048 395753148 /nfs/dbraw/zinc/75/31/48/395753148.db2.gz HDDHGXNHLLGRDY-GJZGRUSLSA-N 1 0 312.458 0.690 50 0 DCAARO CNC(=O)c1cccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000096453205 395753952 /nfs/dbraw/zinc/75/39/52/395753952.db2.gz CPEQXLISHODHMM-ZDUSSCGKSA-N 1 0 304.394 0.742 50 0 DCAARO Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000097212563 395756148 /nfs/dbraw/zinc/75/61/48/395756148.db2.gz FYFJPLKCFADDEH-GFCCVEGCSA-N 1 0 305.382 0.445 50 0 DCAARO CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC000097234811 395756649 /nfs/dbraw/zinc/75/66/49/395756649.db2.gz QODBGVYINWGIER-AWEZNQCLSA-N 1 0 304.394 0.884 50 0 DCAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1ccc(-n2cnnc2)cc1 ZINC000097480315 395758119 /nfs/dbraw/zinc/75/81/19/395758119.db2.gz JZEMUDDFWIWVJS-UHFFFAOYSA-N 1 0 323.360 0.497 50 0 DCAARO O=C(Cc1ccccc1)N1CC[N@@H+](C2CCOCC2)C[C@H](O)C1 ZINC000097759316 395760311 /nfs/dbraw/zinc/76/03/11/395760311.db2.gz UMMMINZAGFKEBM-KRWDZBQOSA-N 1 0 318.417 0.913 50 0 DCAARO C[C@H]1CC[C@H](C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000225418738 395860129 /nfs/dbraw/zinc/86/01/29/395860129.db2.gz PIJMCQKDYCQMDI-HOTGVXAUSA-N 1 0 309.454 0.899 50 0 DCAARO COCCc1nc(CNc2cc(C3CC([NH3+])C3)ncn2)no1 ZINC000219866292 395846969 /nfs/dbraw/zinc/84/69/69/395846969.db2.gz RHTFILNUAITSTJ-UHFFFAOYSA-N 1 0 304.354 0.865 50 0 DCAARO COc1ccc(F)c(F)c1C(=O)N[C@@H]1C[C@@H](CO)[N@H+](C)C1 ZINC000220147163 395847819 /nfs/dbraw/zinc/84/78/19/395847819.db2.gz WGJUQNXONOSSKB-BDAKNGLRSA-N 1 0 300.305 0.768 50 0 DCAARO Cc1nonc1CC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000220715195 395849445 /nfs/dbraw/zinc/84/94/45/395849445.db2.gz XSMILFUEBJKERK-AQNFWKISSA-N 1 0 306.366 0.288 50 0 DCAARO CC(C)C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1CCO ZINC000223589838 395855953 /nfs/dbraw/zinc/85/59/53/395855953.db2.gz FFKRYCDPOUSOCQ-LBPRGKRZSA-N 1 0 308.382 0.347 50 0 DCAARO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCC[C@H]3C[NH3+])cc12 ZINC000124533099 395900801 /nfs/dbraw/zinc/90/08/01/395900801.db2.gz ZNAPWGWPFXMIOR-GWCFXTLKSA-N 1 0 323.422 0.682 50 0 DCAARO CCOc1ncccc1CNC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055088719 395910707 /nfs/dbraw/zinc/91/07/07/395910707.db2.gz QMNHFTZHCGBJLL-ZDUSSCGKSA-N 1 0 320.393 0.294 50 0 DCAARO COC(=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1Cl ZINC000130394258 395922457 /nfs/dbraw/zinc/92/24/57/395922457.db2.gz YJJDQNUCWURLHI-UHFFFAOYSA-N 1 0 320.798 0.967 50 0 DCAARO O=C(CN1CCN(c2nc[nH]n2)CC1)N1CCc2ccccc21 ZINC000244874305 395926030 /nfs/dbraw/zinc/92/60/30/395926030.db2.gz WYTYSNMZRIZTGS-UHFFFAOYSA-N 1 0 312.377 0.516 50 0 DCAARO CCOCCN1CC[NH+](C[C@@H](O)CO[C@@H](C)COC)CC1 ZINC000225570361 395862245 /nfs/dbraw/zinc/86/22/45/395862245.db2.gz HXBZZXARERGFBX-LSDHHAIUSA-N 1 0 304.431 0.053 50 0 DCAARO C[C@@H](C(=O)N1CCOCC1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229475269 395874596 /nfs/dbraw/zinc/87/45/96/395874596.db2.gz OMNKPVBRMLZXHI-UONOGXRCSA-N 1 0 307.398 0.237 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000229555558 395875975 /nfs/dbraw/zinc/87/59/75/395875975.db2.gz PSMHAFQQSNVFJT-OWCLPIDISA-N 1 0 306.410 0.719 50 0 DCAARO CCc1nc(CN(C)[C@@H]2CCN([C@@H]3C[C@@H](C)OC3=O)C2)no1 ZINC000229824225 395876471 /nfs/dbraw/zinc/87/64/71/395876471.db2.gz DNVYURGPNXMUQJ-IJLUTSLNSA-N 1 0 308.382 0.842 50 0 DCAARO Cc1n[nH]c(C)c1CCCNC(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000230463360 395881773 /nfs/dbraw/zinc/88/17/73/395881773.db2.gz KARQJBPVCSJWRO-AWEZNQCLSA-N 1 0 307.442 0.711 50 0 DCAARO Cc1cc(N2CCC(c3ccnn3CCO)CC2)nc(N)[nH+]1 ZINC000058341924 395953257 /nfs/dbraw/zinc/95/32/57/395953257.db2.gz HNAJDTRUVVYVLT-UHFFFAOYSA-N 1 0 302.382 0.940 50 0 DCAARO CN1c2cccnc2S[C@@H](CC(=O)NCCC[NH+](C)C)C1=O ZINC000065171892 395990420 /nfs/dbraw/zinc/99/04/20/395990420.db2.gz ZCMOQBMRORJQRX-LBPRGKRZSA-N 1 0 322.434 0.977 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2[C@H](C)C(=O)N2CCOCC2)n1 ZINC000253375196 396026424 /nfs/dbraw/zinc/02/64/24/396026424.db2.gz OUVLJWSZIUBQBU-DOMZBBRYSA-N 1 0 321.425 0.607 50 0 DCAARO Cc1cncc(C(=O)NCCc2nnc3n2CC[NH2+]CC3)c1 ZINC000067447303 396026455 /nfs/dbraw/zinc/02/64/55/396026455.db2.gz DOMDCZHFAYCUEX-UHFFFAOYSA-N 1 0 300.366 0.100 50 0 DCAARO Cc1cc(=O)n(CC[N@@H+](C)[C@H](C)Cc2cnccn2)c(=O)[nH]1 ZINC000253536131 396029484 /nfs/dbraw/zinc/02/94/84/396029484.db2.gz JDZXFWJNWNBPAJ-GFCCVEGCSA-N 1 0 303.366 0.610 50 0 DCAARO CCC(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000257184390 396034172 /nfs/dbraw/zinc/03/41/72/396034172.db2.gz UKROAXPQGGAKSM-AWEZNQCLSA-N 1 0 323.437 0.568 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067852421 396036289 /nfs/dbraw/zinc/03/62/89/396036289.db2.gz VYBMPSGMMNIMPP-KBPBESRZSA-N 1 0 317.368 0.863 50 0 DCAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn3cc(CCO)cnc23)C1 ZINC000067878998 396038322 /nfs/dbraw/zinc/03/83/22/396038322.db2.gz LHYGCFCILIPTOW-LBPRGKRZSA-N 1 0 317.393 0.336 50 0 DCAARO O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000261597053 396047701 /nfs/dbraw/zinc/04/77/01/396047701.db2.gz AMCTWTCRFIZUKW-GXTWGEPZSA-N 1 0 308.403 0.424 50 0 DCAARO C[C@@H]1CN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C[C@@H](C)[NH2+]1 ZINC000153162110 396021759 /nfs/dbraw/zinc/02/17/59/396021759.db2.gz ZUSBNOLOJANKGA-IURQOMBCSA-N 1 0 317.389 0.773 50 0 DCAARO COC[C@H](Cc1ccccc1)[NH2+]C[C@](C)(O)CN1CCOCC1 ZINC000165534371 396088199 /nfs/dbraw/zinc/08/81/99/396088199.db2.gz DPIFAGWSMYFDRL-ROUUACIJSA-N 1 0 322.449 0.917 50 0 DCAARO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)NCCc1cccs1 ZINC000069814204 396090977 /nfs/dbraw/zinc/09/09/77/396090977.db2.gz BFSVCCXZCDEUKR-OLZOCXBDSA-N 1 0 311.451 0.716 50 0 DCAARO CCCS(=O)(=O)N1CCC2(C[C@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000169787715 396092715 /nfs/dbraw/zinc/09/27/15/396092715.db2.gz KOJLMWGFPVANCB-LBPRGKRZSA-N 1 0 315.439 0.013 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCCS(C)(=O)=O ZINC000069924116 396095747 /nfs/dbraw/zinc/09/57/47/396095747.db2.gz JSTBYRSMTWHRHU-KBPBESRZSA-N 1 0 302.440 0.896 50 0 DCAARO O=C1OCCN1CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000071864077 396119488 /nfs/dbraw/zinc/11/94/88/396119488.db2.gz ZDXQANUNAHDDPW-MRXNPFEDSA-N 1 0 319.405 0.790 50 0 DCAARO COCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000071859693 396119646 /nfs/dbraw/zinc/11/96/46/396119646.db2.gz IQVMJDSZVDMASS-KGLIPLIRSA-N 1 0 321.425 0.576 50 0 DCAARO C[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)C(=O)N1CCOCC1 ZINC000072276706 396129191 /nfs/dbraw/zinc/12/91/91/396129191.db2.gz BFAXVJPOEWNTIH-KGLIPLIRSA-N 1 0 319.409 0.282 50 0 DCAARO CCCC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)C(N)=O ZINC000072300488 396130833 /nfs/dbraw/zinc/13/08/33/396130833.db2.gz VGRSHNWZTTVZIG-TUAOUCFPSA-N 1 0 305.444 0.290 50 0 DCAARO C[C@@]1([C@H]2CCC[N@H+](CCc3ccccn3)C2)NC(=O)NC1=O ZINC000072300752 396130834 /nfs/dbraw/zinc/13/08/34/396130834.db2.gz JXUAMWMGEBPSCP-LRDDRELGSA-N 1 0 302.378 0.934 50 0 DCAARO COc1ccnc(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000069416271 396078152 /nfs/dbraw/zinc/07/81/52/396078152.db2.gz KCNRHDKSITZYTG-GFCCVEGCSA-N 1 0 305.382 0.086 50 0 DCAARO NC(=O)COc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1 ZINC000069590097 396083439 /nfs/dbraw/zinc/08/34/39/396083439.db2.gz SLWRQFIQVTTZIY-INIZCTEOSA-N 1 0 319.405 0.504 50 0 DCAARO Cc1nc(CN(C)[C@H]2CC[N@H+](CCc3cnn(C)c3)C2)no1 ZINC000076047361 396192618 /nfs/dbraw/zinc/19/26/18/396192618.db2.gz ICYNGSKLLXMIPE-AWEZNQCLSA-N 1 0 304.398 0.860 50 0 DCAARO C[C@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000076058313 396195191 /nfs/dbraw/zinc/19/51/91/396195191.db2.gz XDESDXJMZMBZCT-HZMBPMFUSA-N 1 0 323.418 0.201 50 0 DCAARO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000076059305 396195579 /nfs/dbraw/zinc/19/55/79/396195579.db2.gz HQFVOSOXLBMAQP-MQIPJXDCSA-N 1 0 324.425 0.553 50 0 DCAARO COCC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(F)c2)C1 ZINC000078602876 396249355 /nfs/dbraw/zinc/24/93/55/396249355.db2.gz QGGUMWXPKYLTRE-AWEZNQCLSA-N 1 0 323.368 0.991 50 0 DCAARO Cc1ccc(CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078788582 396254294 /nfs/dbraw/zinc/25/42/94/396254294.db2.gz MNOAHQQMJCDZOZ-HOTGVXAUSA-N 1 0 303.406 0.990 50 0 DCAARO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000078803021 396254304 /nfs/dbraw/zinc/25/43/04/396254304.db2.gz BQCJWKCOLZDTKG-UONOGXRCSA-N 1 0 316.467 0.812 50 0 DCAARO Cc1ccc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O)o1 ZINC000079112762 396261774 /nfs/dbraw/zinc/26/17/74/396261774.db2.gz RMINARGDGYSBSC-WDEREUQCSA-N 1 0 302.396 0.788 50 0 DCAARO Cn1cc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cn1 ZINC000077185481 396213778 /nfs/dbraw/zinc/21/37/78/396213778.db2.gz QQOAMIAUFLXTSL-UHFFFAOYSA-N 1 0 307.398 0.996 50 0 DCAARO O=C(c1ncccc1O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000077287350 396217129 /nfs/dbraw/zinc/21/71/29/396217129.db2.gz NQFHXNNIFXWDNH-CQSZACIVSA-N 1 0 316.405 0.639 50 0 DCAARO O=S(=O)(c1ccccc1)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000077358145 396219561 /nfs/dbraw/zinc/21/95/61/396219561.db2.gz NXGDKIABBUWBKS-CQSZACIVSA-N 1 0 309.435 0.602 50 0 DCAARO [NH3+]CCn1cc(C(=O)N2CCC(c3ccncc3)CC2)nn1 ZINC000077523253 396224671 /nfs/dbraw/zinc/22/46/71/396224671.db2.gz XSBAUMPOQTYHKR-UHFFFAOYSA-N 1 0 300.366 0.652 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1CC[C@H](O)c1ccccc1 ZINC000077539351 396225534 /nfs/dbraw/zinc/22/55/34/396225534.db2.gz MOZCHVBZQWVEAC-ZDUSSCGKSA-N 1 0 303.362 0.784 50 0 DCAARO COCCn1cc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000282437492 396290305 /nfs/dbraw/zinc/29/03/05/396290305.db2.gz JXKUCLAFKDGEBH-HIFRSBDPSA-N 1 0 321.425 0.908 50 0 DCAARO CCCN1C(=O)N[C@@H](CC(=O)NCC(C)(C)[NH+]2CCCC2)C1=O ZINC000584901352 396637386 /nfs/dbraw/zinc/63/73/86/396637386.db2.gz GSJFZKXAYCPYFA-LBPRGKRZSA-N 1 0 324.425 0.698 50 0 DCAARO CC[C@@H]1CO[C@H](C)CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261940307 158756665 /nfs/dbraw/zinc/75/66/65/158756665.db2.gz LHHYKNLOBPZHGP-VXGBXAGGSA-N 1 0 307.398 0.842 50 0 DCAARO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000261975013 158760869 /nfs/dbraw/zinc/76/08/69/158760869.db2.gz NPUQXUGZOARWOG-MNOVXSKESA-N 1 0 316.361 0.298 50 0 DCAARO O=S(=O)(C1CC[NH+](CCn2cncn2)CC1)N1CCCC1 ZINC000328658399 159017272 /nfs/dbraw/zinc/01/72/72/159017272.db2.gz QYSYYBVBUMLALV-UHFFFAOYSA-N 1 0 313.427 0.168 50 0 DCAARO [NH3+][C@H]1CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1 ZINC000132318327 196245693 /nfs/dbraw/zinc/24/56/93/196245693.db2.gz ALFQCLLXZKSBOT-SWLSCSKDSA-N 1 0 307.369 0.759 50 0 DCAARO C[C@@H](Cc1ccccc1)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000132738077 196279684 /nfs/dbraw/zinc/27/96/84/196279684.db2.gz ZDMPQBQIPVZAIM-DZGCQCFKSA-N 1 0 301.390 0.508 50 0 DCAARO NC(=O)CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025440506 415162806 /nfs/dbraw/zinc/16/28/06/415162806.db2.gz AVMSVJMLXVECNY-HNNXBMFYSA-N 1 0 324.446 0.984 50 0 DCAARO Cc1nn(-c2ccc(N3CC[NH2+]CC3)nn2)c(=O)c2ccccc12 ZINC000004488431 415127411 /nfs/dbraw/zinc/12/74/11/415127411.db2.gz AODDDRBDNANVMY-UHFFFAOYSA-N 1 0 322.372 0.894 50 0 DCAARO CC[C@@H]1Oc2ccccc2N(CC(=O)NCC[NH+](C)C)C1=O ZINC000004686965 415127999 /nfs/dbraw/zinc/12/79/99/415127999.db2.gz RWDOMDCLDLVRRE-ZDUSSCGKSA-N 1 0 305.378 0.868 50 0 DCAARO C[C@H]([NH2+]CCCO)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006552496 415132494 /nfs/dbraw/zinc/13/24/94/415132494.db2.gz BMTZGPUORSMHCC-ZDUSSCGKSA-N 1 0 307.394 0.822 50 0 DCAARO CC(C)C[C@@H](C)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000027137998 415168189 /nfs/dbraw/zinc/16/81/89/415168189.db2.gz JOZIWXWCHQKGCW-SNVBAGLBSA-N 1 0 310.398 0.215 50 0 DCAARO Cc1ccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)cc1C(N)=O ZINC000044936091 415235708 /nfs/dbraw/zinc/23/57/08/415235708.db2.gz AUZODZUVFDKLKF-UHFFFAOYSA-N 1 0 313.423 0.712 50 0 DCAARO O[C@H](CNc1ccc2nncn2n1)C[N@@H+]1CCc2ccccc2C1 ZINC000044978665 415239415 /nfs/dbraw/zinc/23/94/15/415239415.db2.gz ZFTJYERATNCALL-OAHLLOKOSA-N 1 0 324.388 0.955 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCSC2=O)C1 ZINC000044874984 415229896 /nfs/dbraw/zinc/22/98/96/415229896.db2.gz VTFFKUICVORGDW-GFCCVEGCSA-N 1 0 315.439 0.628 50 0 DCAARO CC[C@H]1CN(c2ncnc3c2cnn3C)CC[N@@H+]1CCOC ZINC000069738101 415401290 /nfs/dbraw/zinc/40/12/90/415401290.db2.gz YIJFCXSJLFJXGM-LBPRGKRZSA-N 1 0 304.398 0.910 50 0 DCAARO CC1CC[NH+](C[C@H](O)CNC(=O)NCc2ccncc2)CC1 ZINC000067581249 415379000 /nfs/dbraw/zinc/37/90/00/415379000.db2.gz UHHLFRDKTJFQKK-OAHLLOKOSA-N 1 0 306.410 0.974 50 0 DCAARO CN1CC[N@@H+]2C[C@@H](NC(=O)C3(Cn4cccn4)CC3)C[C@H]2C1 ZINC000067688374 415385486 /nfs/dbraw/zinc/38/54/86/415385486.db2.gz UDVGPTYPPIPAPG-KBPBESRZSA-N 1 0 303.410 0.168 50 0 DCAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCS(=O)(=O)N(C)C)C1 ZINC000067743827 415386148 /nfs/dbraw/zinc/38/61/48/415386148.db2.gz BOUISWBSIBHUFI-GFCCVEGCSA-N 1 0 305.444 0.114 50 0 DCAARO Cc1nc(-n2cccn2)cc(N2Cc3cnn(CCO)c3C2)n1 ZINC000067934588 415390810 /nfs/dbraw/zinc/39/08/10/415390810.db2.gz CDDWHUMKRKGWNH-UHFFFAOYSA-N 1 0 311.349 0.680 50 0 DCAARO C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@@H]1[NH+](C)C ZINC000084714316 415499529 /nfs/dbraw/zinc/49/95/29/415499529.db2.gz DJMWXHPNQTWQNM-DOMZBBRYSA-N 1 0 314.389 0.805 50 0 DCAARO CCc1nnc(N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)s1 ZINC000091254411 415534533 /nfs/dbraw/zinc/53/45/33/415534533.db2.gz CXPOCKAVAVWIJZ-AWEZNQCLSA-N 1 0 309.439 0.891 50 0 DCAARO COc1cc(C)ccc1CN1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091620930 415536991 /nfs/dbraw/zinc/53/69/91/415536991.db2.gz FCAAMCRMFRXRSG-IAGOWNOFSA-N 1 0 322.449 0.968 50 0 DCAARO CN(C)c1nccnc1N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000095386151 415557449 /nfs/dbraw/zinc/55/74/49/415557449.db2.gz IPQWKTUAPBQQEI-UHFFFAOYSA-N 1 0 305.426 0.968 50 0 DCAARO O=C1CN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CCN1Cc1cccc(F)c1 ZINC000102816583 415602982 /nfs/dbraw/zinc/60/29/82/415602982.db2.gz GSHBJEWINZIWGZ-ZSHCYNCHSA-N 1 0 303.381 0.935 50 0 DCAARO CC1CC[NH+](C[C@@H](O)Cn2cnc3cnccc3c2=O)CC1 ZINC000097080141 415579725 /nfs/dbraw/zinc/57/97/25/415579725.db2.gz JBBSOBPZFSBIKU-CYBMUJFWSA-N 1 0 302.378 0.884 50 0 DCAARO CCc1n[nH]cc1C(=O)N1CCC2(CC[NH2+]C[C@@H]2CO)CC1 ZINC000097088069 415581710 /nfs/dbraw/zinc/58/17/10/415581710.db2.gz FVLHGVVLJZIHJH-GFCCVEGCSA-N 1 0 306.410 0.796 50 0 DCAARO Nc1nc(-n2cccn2)cc(N2CCC[C@@H]2C(=O)NC2CC2)[nH+]1 ZINC000097104414 415582048 /nfs/dbraw/zinc/58/20/48/415582048.db2.gz IXRGWLAVEBDHOW-LLVKDONJSA-N 1 0 313.365 0.492 50 0 DCAARO CCCCS(=O)(=O)N1CCC2(CC[NH2+]C[C@@H]2CO)CC1 ZINC000097797657 415590747 /nfs/dbraw/zinc/59/07/47/415590747.db2.gz DJSPHCHMQBOXLA-CYBMUJFWSA-N 1 0 304.456 0.800 50 0 DCAARO O=C(COc1ccccc1)NCc1nnc2n1CC[NH2+]CC2 ZINC000299786034 416069022 /nfs/dbraw/zinc/06/90/22/416069022.db2.gz LQRDWPYXBWZOGW-UHFFFAOYSA-N 1 0 301.350 0.119 50 0 DCAARO Cn1cnc2cc(NC(=O)N[C@@H]3C[C@@H](CO)[N@H+](C)C3)ccc21 ZINC000299799537 416071267 /nfs/dbraw/zinc/07/12/67/416071267.db2.gz SFJOJJCCWVZRBD-NEPJUHHUSA-N 1 0 303.366 0.760 50 0 DCAARO COc1ccc(CN2CCN(c3ncc[nH]c3=O)CC2)cn1 ZINC000215054975 416326929 /nfs/dbraw/zinc/32/69/29/416326929.db2.gz FVJYZQRIQDJZGX-UHFFFAOYSA-N 1 0 301.350 0.496 50 0 DCAARO Cc1nc2c(c(=O)[nH]1)CC[N@H+](CC(C)(C)N1CCOCC1)CC2 ZINC000215526893 416326999 /nfs/dbraw/zinc/32/69/99/416326999.db2.gz FWNPJRLTOSXPOO-UHFFFAOYSA-N 1 0 320.437 0.590 50 0 DCAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCC(Oc2ncccn2)CC1 ZINC000215671081 416327290 /nfs/dbraw/zinc/32/72/90/416327290.db2.gz WUNMIYJAAXJVIJ-ZDUSSCGKSA-N 1 0 306.366 0.225 50 0 DCAARO COc1ccc(C(=O)NC[C@]2(O)CC[NH2+]C2)c(OC)c1OC ZINC000216273751 416327358 /nfs/dbraw/zinc/32/73/58/416327358.db2.gz ZPRQSAXNIUZSIC-HNNXBMFYSA-N 1 0 310.350 0.167 50 0 DCAARO CCn1ccnc1CN1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000239636987 416330018 /nfs/dbraw/zinc/33/00/18/416330018.db2.gz BHZZLOZWTRJPAA-CVEARBPZSA-N 1 0 321.469 0.740 50 0 DCAARO Cn1ccc(NC(=O)CN2CCC([NH+]3CCSCC3)CC2)n1 ZINC000244723564 416330681 /nfs/dbraw/zinc/33/06/81/416330681.db2.gz MDUJQUSOZTZNAY-UHFFFAOYSA-N 1 0 323.466 0.872 50 0 DCAARO CCc1nc(CN(C)c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)no1 ZINC000244723954 416330982 /nfs/dbraw/zinc/33/09/82/416330982.db2.gz MKWOXXZUGBZILD-DTORHVGOSA-N 1 0 303.370 0.845 50 0 DCAARO Cc1noc([C@@H](C)NC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)n1 ZINC000244858452 416331031 /nfs/dbraw/zinc/33/10/31/416331031.db2.gz VLFLJEAYPCLYRB-IEBDPFPHSA-N 1 0 319.369 0.903 50 0 DCAARO CN1CC[NH+](CC2CCN(C(=O)C[C@@H]3CCOC3)CC2)CC1 ZINC000364330845 416586856 /nfs/dbraw/zinc/58/68/56/416586856.db2.gz TWBPLDHTVLXPQX-INIZCTEOSA-N 1 0 309.454 0.899 50 0 DCAARO Cc1c[nH+]ccc1NCCNc1cc([C@@H]2CCOC2)nc(N)n1 ZINC000426471378 416770423 /nfs/dbraw/zinc/77/04/23/416770423.db2.gz NPLUXFRAIAJPJO-GFCCVEGCSA-N 1 0 314.393 0.634 50 0 DCAARO Cc1cc([C@@H]2CN(c3nc(N)[nH+]c(N)n3)CCO2)ccc1F ZINC000624075156 416953895 /nfs/dbraw/zinc/95/38/95/416953895.db2.gz YFLPIQFPVLIHDZ-NSHDSACASA-N 1 0 304.329 0.722 50 0 DCAARO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2ncccn2)CC1 ZINC000528051877 417297515 /nfs/dbraw/zinc/29/75/15/417297515.db2.gz NZFUHNGLGPRHHB-UHFFFAOYSA-N 1 0 319.409 0.873 50 0 DCAARO [NH3+]CC1(NS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)CCOCC1 ZINC000528057384 417300728 /nfs/dbraw/zinc/30/07/28/417300728.db2.gz UWFZLXCYLSCKSR-UONOGXRCSA-N 1 0 310.419 0.970 50 0 DCAARO Cn1cccc(C(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)c1=O ZINC000575415707 417535758 /nfs/dbraw/zinc/53/57/58/417535758.db2.gz UUDUGTNOMQEKEL-CQSZACIVSA-N 1 0 319.405 0.616 50 0 DCAARO C[NH+](C)[C@H]1CN(S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1O ZINC000647885613 418069901 /nfs/dbraw/zinc/06/99/01/418069901.db2.gz YUHLVORWYKLZQT-YUMQZZPRSA-N 1 0 310.828 0.697 50 0 DCAARO C[C@H]1CCCN(C(=O)c2cn(Cc3ccccn3)nn2)[C@@H]1C[NH3+] ZINC000299739615 229372901 /nfs/dbraw/zinc/37/29/01/229372901.db2.gz QPOXUGGCXBEKPL-SWLSCSKDSA-N 1 0 314.393 0.921 50 0 DCAARO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237577336 261161271 /nfs/dbraw/zinc/16/12/71/261161271.db2.gz ROVBNOSVAZCJFZ-UWVGGRQHSA-N 1 0 301.350 0.241 50 0 DCAARO CN1CCC[C@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC000529356790 272685832 /nfs/dbraw/zinc/68/58/32/272685832.db2.gz BNGBGEBIACDXNG-RDBSUJKOSA-N 1 0 324.425 0.145 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC000095480040 276172995 /nfs/dbraw/zinc/17/29/95/276172995.db2.gz GERXNURKBQFOMK-HUUCEWRRSA-N 1 0 314.393 0.863 50 0 DCAARO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Nc2nc(C)no2)C1 ZINC000333495083 277347941 /nfs/dbraw/zinc/34/79/41/277347941.db2.gz JNIUNVVSMUNHAT-RYUDHWBXSA-N 1 0 309.370 0.517 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1 ZINC000240894800 277708798 /nfs/dbraw/zinc/70/87/98/277708798.db2.gz IPZPTBIRFXYAGV-JHJVBQTASA-N 1 0 317.455 0.255 50 0 DCAARO Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CCCCC[N@@H+]1C)C2 ZINC000095384319 279110698 /nfs/dbraw/zinc/11/06/98/279110698.db2.gz HUROXYUNKCFFJA-CQSZACIVSA-N 1 0 304.394 0.805 50 0 DCAARO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1cnn(C)c1 ZINC000275801569 288145484 /nfs/dbraw/zinc/14/54/84/288145484.db2.gz WTYNUOCABXLPPD-CYBMUJFWSA-N 1 0 323.441 0.449 50 0 DCAARO CNC(=O)C(=O)NC[C@@H](c1cccn1C)[NH+]1CCCCCC1 ZINC000011898810 290333311 /nfs/dbraw/zinc/33/33/11/290333311.db2.gz OQBPDASEKCYFKU-AWEZNQCLSA-N 1 0 306.410 0.804 50 0 DCAARO [NH3+]CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000072418617 303365852 /nfs/dbraw/zinc/36/58/52/303365852.db2.gz WRJFCHFSBSQAEL-QGZVFWFLSA-N 1 0 316.405 0.772 50 0 DCAARO COc1ccc2[nH]c(CNC(=O)C[C@H]3C[NH2+]CCO3)nc2c1 ZINC000534582447 334289621 /nfs/dbraw/zinc/28/96/21/334289621.db2.gz FYZUHYWWYJMBLY-NSHDSACASA-N 1 0 304.350 0.566 50 0 DCAARO COc1cc2c(cc1OC)C(=O)N(CC[NH+](C)C)CC(=O)N2 ZINC000534592116 334294715 /nfs/dbraw/zinc/29/47/15/334294715.db2.gz BYPHRGFEXARHSE-UHFFFAOYSA-N 1 0 307.350 0.660 50 0 DCAARO O=C(NC[C@]1(O)CCC[NH2+]C1)c1ccccc1-n1cnnc1 ZINC000534646768 334307008 /nfs/dbraw/zinc/30/70/08/334307008.db2.gz ZDGZWUORMUEIEQ-HNNXBMFYSA-N 1 0 301.350 0.112 50 0 DCAARO O=C(NCCc1ccc(-n2cccn2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299748549 534446274 /nfs/dbraw/zinc/44/62/74/534446274.db2.gz HKUUIVVXNTZDJE-CABCVRRESA-N 1 0 300.362 0.254 50 0 DCAARO NC(=O)c1cccc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000299788416 534496268 /nfs/dbraw/zinc/49/62/68/534496268.db2.gz PEEGPQFZKUHLFU-AWEZNQCLSA-N 1 0 317.393 0.297 50 0 DCAARO COc1ccc(C(=O)N2CC[NH2+]CC2)cc1N1CCNC1=O ZINC000237356928 523653424 /nfs/dbraw/zinc/65/34/24/523653424.db2.gz JCZISJILOKJDIF-UHFFFAOYSA-N 1 0 304.350 0.270 50 0 DCAARO NC(=O)c1ccc(C(F)(F)F)nc1N[C@@H]1CC[NH2+]C[C@H]1O ZINC000077354299 545678836 /nfs/dbraw/zinc/67/88/36/545678836.db2.gz AVOKIJVKMSWKQZ-HTQZYQBOSA-N 1 0 304.272 0.334 50 0 DCAARO C[NH+]1CCC(O)(CNC(=O)COC[C@@H]2CCCCO2)CC1 ZINC000670450237 547096435 /nfs/dbraw/zinc/09/64/35/547096435.db2.gz CMKUDZUVOHRGPM-ZDUSSCGKSA-N 1 0 300.399 0.145 50 0 DCAARO COc1ccc(F)c(F)c1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000670456865 547097212 /nfs/dbraw/zinc/09/72/12/547097212.db2.gz IKYWMCGTNKAGSO-UWVGGRQHSA-N 1 0 300.305 0.720 50 0 DCAARO CCc1nc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCOC)C2)c[nH]1 ZINC000670455604 547097957 /nfs/dbraw/zinc/09/79/57/547097957.db2.gz IGENUYYSGHRAIJ-NSHDSACASA-N 1 0 316.427 0.219 50 0 DCAARO O=C(CCCN1CCCC1=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000670462586 547098671 /nfs/dbraw/zinc/09/86/71/547098671.db2.gz OKOQUJHMLMPZOV-AWEZNQCLSA-N 1 0 311.426 0.352 50 0 DCAARO CN1C[C@H](CNC(=O)C2([NH+]3CCCC3)CCCC2)OCC1=O ZINC000670467179 547100436 /nfs/dbraw/zinc/10/04/36/547100436.db2.gz JEYWAWWXFQKDBN-ZDUSSCGKSA-N 1 0 309.410 0.368 50 0 DCAARO C[N@@H+]1CCCC[C@H]1C(=O)NC1CC([NH+](CC(=O)[O-])CC2CC2)C1 ZINC000681941070 548329073 /nfs/dbraw/zinc/32/90/73/548329073.db2.gz IPEAUDOCPKJOTJ-NRXISQOPSA-N 1 0 323.437 0.915 50 0 DCAARO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000888093958 661158021 /nfs/dbraw/zinc/15/80/21/661158021.db2.gz OMXVJHHIOHOAQY-CRWXNKLISA-N 1 0 308.426 0.779 50 0 DCAARO NC(=O)[C@H]1CCCN(C(=O)CN(Cc2ccccn2)C2CC2)C1 ZINC000181367174 659175677 /nfs/dbraw/zinc/17/56/77/659175677.db2.gz NOWOCWYVCGRWBS-ZDUSSCGKSA-N 1 0 316.405 0.770 50 0 DCAARO O=C(NCCn1ccnn1)C1CC[NH+](C2CCOCC2)CC1 ZINC000426478158 661602998 /nfs/dbraw/zinc/60/29/98/661602998.db2.gz SPCONWNGHUCFMO-UHFFFAOYSA-N 1 0 307.398 0.285 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ncc[nH]3)C2)CC1 ZINC000426488001 661605868 /nfs/dbraw/zinc/60/58/68/661605868.db2.gz MMDHDSRMJHNLNH-AWEZNQCLSA-N 1 0 319.453 0.875 50 0 DCAARO O=C(NCCn1cncn1)C1CC[NH+](C2CCOCC2)CC1 ZINC000426678227 661689100 /nfs/dbraw/zinc/68/91/00/661689100.db2.gz XDAIGECLUQXNPZ-UHFFFAOYSA-N 1 0 307.398 0.285 50 0 DCAARO C[C@@H]1COCCN1CC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000191469464 662708709 /nfs/dbraw/zinc/70/87/09/662708709.db2.gz UACPGVJLICDYBZ-OAHLLOKOSA-N 1 0 322.453 0.776 50 0 DCAARO CC(C)(C)c1nc(N)nc(N2CC[N@H+](CCO)C(C)(C)C2)n1 ZINC000871100829 664725162 /nfs/dbraw/zinc/72/51/62/664725162.db2.gz BXRQPYSTXQDOCW-UHFFFAOYSA-N 1 0 308.430 0.644 50 0 DCAARO Cc1nc[nH]c1C(=O)NC[C@@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000952990649 685602777 /nfs/dbraw/zinc/60/27/77/685602777.db2.gz ZSJWUFGMVBRWHI-ZDUSSCGKSA-N 1 0 317.397 0.452 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC(c3ccccn3)C2)C1 ZINC000952973033 685600427 /nfs/dbraw/zinc/60/04/27/685600427.db2.gz RCXJVHKQWKGDQQ-GFCCVEGCSA-N 1 0 302.378 0.205 50 0 DCAARO NC(=O)COc1cccc(C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)c1 ZINC000091518834 685105681 /nfs/dbraw/zinc/10/56/81/685105681.db2.gz XPAZZWVXTGDCAB-KGLIPLIRSA-N 1 0 303.362 0.360 50 0 DCAARO COc1cc(N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)nc(N)n1 ZINC000095531597 685111599 /nfs/dbraw/zinc/11/15/99/685111599.db2.gz HUIPANCJLQAZPE-GFCCVEGCSA-N 1 0 307.398 0.493 50 0 DCAARO CCC(=O)N1C[C@H](C(=O)NCC[NH+](C)C)C2(C1)CCOCC2 ZINC000169756470 685141254 /nfs/dbraw/zinc/14/12/54/685141254.db2.gz LYQIJPLBNKDHOE-CYBMUJFWSA-N 1 0 311.426 0.329 50 0 DCAARO O=C(CN1C[C@@H]2C[NH2+]C[C@@]2(CO)C1)NC1CCCCCCC1 ZINC001772703519 1157842731 /nfs/dbraw/zinc/84/27/31/1157842731.db2.gz XRQQICFPFOHIIY-YOEHRIQHSA-N 1 0 309.454 0.729 50 0 DCAARO COc1cccc(OC)c1OCCN1C[C@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772705288 1157845493 /nfs/dbraw/zinc/84/54/93/1157845493.db2.gz RSZWQGSDPMHVMU-CXAGYDPISA-N 1 0 322.405 0.596 50 0 DCAARO CN(C)S(=O)(=O)N1C[C@H]2C[NH2+]C[C@@]2(CCc2ccccc2)C1 ZINC001772712110 1157848112 /nfs/dbraw/zinc/84/81/12/1157848112.db2.gz HZMXLWJMOMUBCW-CVEARBPZSA-N 1 0 323.462 0.947 50 0 DCAARO COc1cccc2c1C1(CC[NH+](C[C@@H](O)CO)CC1)OCC2 ZINC001704336018 1179978218 /nfs/dbraw/zinc/97/82/18/1179978218.db2.gz FUJXSQNJFJCVJE-CQSZACIVSA-N 1 0 307.390 0.912 50 0 DCAARO CC1(NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC001704348956 1179982060 /nfs/dbraw/zinc/98/20/60/1179982060.db2.gz DDUYRIDKQJVRJW-CABCVRRESA-N 1 0 317.389 0.501 50 0 DCAARO CC[C@H]1CCCCN1Cc1nc(CC(N)=O)nn1CC(C)(C)O ZINC000822718139 758204961 /nfs/dbraw/zinc/20/49/61/758204961.db2.gz SJFQKUVBXHDOLB-LBPRGKRZSA-N 1 0 323.441 0.841 50 0 DCAARO CCS(=O)(=O)NC[C@H](C)[NH2+]CC1(CN2CCOCC2)CC1 ZINC000823412714 758246095 /nfs/dbraw/zinc/24/60/95/758246095.db2.gz LKJXYYHKMRFVKJ-ZDUSSCGKSA-N 1 0 319.471 0.016 50 0 DCAARO Cc1cc(C)cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H](O)C2)c1 ZINC000823730129 758268125 /nfs/dbraw/zinc/26/81/25/758268125.db2.gz OIVGGEADCZRDFX-GJZGRUSLSA-N 1 0 312.435 0.989 50 0 DCAARO COc1ccc(C[C@@H]2NC(=O)CN(CC[NH+](C)C)C2=O)cc1 ZINC000824673631 758780904 /nfs/dbraw/zinc/78/09/04/758780904.db2.gz DKYJJLVNJANCNZ-AWEZNQCLSA-N 1 0 305.378 0.126 50 0 DCAARO Cn1nccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000581788166 760247918 /nfs/dbraw/zinc/24/79/18/760247918.db2.gz WLSKIFFSAXKICG-AWEZNQCLSA-N 1 0 306.410 0.995 50 0 DCAARO O=C(NCC1CC1)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000585121554 766286806 /nfs/dbraw/zinc/28/68/06/766286806.db2.gz SAFGIABJHDHUHU-AWEZNQCLSA-N 1 0 305.422 0.847 50 0 DCAARO CCC(C)(C)C(=O)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000585122374 766287737 /nfs/dbraw/zinc/28/77/37/766287737.db2.gz YSAHLYWVDXEZGN-ZDUSSCGKSA-N 1 0 323.437 0.932 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCn1cccn1 ZINC000585139109 766294574 /nfs/dbraw/zinc/29/45/74/766294574.db2.gz JLNZLRIMMBCKHB-CYBMUJFWSA-N 1 0 300.428 0.629 50 0 DCAARO C[C@@](O)(C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1)C(F)(F)F ZINC000952877366 768941873 /nfs/dbraw/zinc/94/18/73/768941873.db2.gz OZAUOBKIZXCOFS-CMPLNLGQSA-N 1 0 309.332 0.196 50 0 DCAARO C[C@@H](O)C[N@H+](C)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC000952879676 768944580 /nfs/dbraw/zinc/94/45/80/768944580.db2.gz GIOSDEPMVJSQHS-VHDGCEQUSA-N 1 0 308.378 0.681 50 0 DCAARO Cn1ncc2c1nc(N1CCC[C@@]3(CC[N@H+](C)C3)C1)nc2N ZINC001506423596 1017265399 /nfs/dbraw/zinc/26/53/99/1017265399.db2.gz YBNNUDWSAZOMMW-HNNXBMFYSA-N 1 0 301.398 0.868 50 0 DCAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@@H](O)C2)CC1 ZINC000074657417 185006180 /nfs/dbraw/zinc/00/61/80/185006180.db2.gz PWHZDHRGZJIKPQ-LSDHHAIUSA-N 1 0 312.458 0.426 50 0 DCAARO Cc1nnnn1-c1cccc(C(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000095479850 185373484 /nfs/dbraw/zinc/37/34/84/185373484.db2.gz FPIOPBWVOZPNKE-UHFFFAOYSA-N 1 0 300.366 0.748 50 0 DCAARO C[C@@H](O)[C@H]([NH3+])C(=O)N1CCC(c2nccn2CC2CC2)CC1 ZINC000095498932 185374707 /nfs/dbraw/zinc/37/47/07/185374707.db2.gz HNCUMSYLAVTIFC-RISCZKNCSA-N 1 0 306.410 0.707 50 0 DCAARO CCn1cc(CC[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cn1 ZINC000328591168 231233781 /nfs/dbraw/zinc/23/37/81/231233781.db2.gz KSLMZZJGQWHLKS-CQSZACIVSA-N 1 0 314.455 0.849 50 0 DCAARO Nc1nc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc(N2CCOCC2)n1 ZINC000095390326 185351396 /nfs/dbraw/zinc/35/13/96/185351396.db2.gz KJTVBELVCNOLKQ-NEPJUHHUSA-N 1 0 304.398 0.069 50 0 DCAARO O=S(=O)(CCn1cc([C@@H]2CCC[NH2+]C2)nn1)N1CCCC1 ZINC000095390464 185351528 /nfs/dbraw/zinc/35/15/28/185351528.db2.gz UMNRKRKIAJJVSV-GFCCVEGCSA-N 1 0 313.427 0.171 50 0 DCAARO CCCc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)n(C)n1 ZINC000082156491 192362982 /nfs/dbraw/zinc/36/29/82/192362982.db2.gz NZDDXODMOATDDF-AWEZNQCLSA-N 1 0 308.426 0.949 50 0 DCAARO CCS(=O)(=O)NCCC[NH+]1CCC(n2cccn2)CC1 ZINC000095435329 185364566 /nfs/dbraw/zinc/36/45/66/185364566.db2.gz ZRZCHWNKBMAYNL-UHFFFAOYSA-N 1 0 300.428 0.849 50 0 DCAARO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000178991185 290731730 /nfs/dbraw/zinc/73/17/30/290731730.db2.gz QMNFYGGUXABROY-NWDGAFQWSA-N 1 0 322.409 0.307 50 0 DCAARO COc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000069741020 190811590 /nfs/dbraw/zinc/81/15/90/190811590.db2.gz KNHYNKPXDLPYTA-QWHCGFSZSA-N 1 0 318.377 0.631 50 0 DCAARO CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccn3nnnc3c2)C1 ZINC000071750174 191022654 /nfs/dbraw/zinc/02/26/54/191022654.db2.gz KRJJDMLACBJOAZ-GFCCVEGCSA-N 1 0 302.382 0.928 50 0 DCAARO COCCNc1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000071768038 191029189 /nfs/dbraw/zinc/02/91/89/191029189.db2.gz WIAIQXUEQHRIRN-SNVBAGLBSA-N 1 0 314.411 0.405 50 0 DCAARO O=c1cc(C[N@H+]2CCC[C@](O)(CO)C2)nc2ccc(Cl)cn12 ZINC000072154791 191059786 /nfs/dbraw/zinc/05/97/86/191059786.db2.gz OYTVGBADYKNPAP-OAHLLOKOSA-N 1 0 323.780 0.667 50 0 DCAARO CCc1cc(Cn2ncc(N3CC[C@@H](C[NH3+])C3)cc2=O)on1 ZINC000072161490 191062530 /nfs/dbraw/zinc/06/25/30/191062530.db2.gz KWGHFSHWDGSHEN-NSHDSACASA-N 1 0 303.366 0.627 50 0 DCAARO C[NH+](C)C[C@]1(O)CCCN(c2nnnn2-c2ccccc2)CC1 ZINC000072174081 191068979 /nfs/dbraw/zinc/06/89/79/191068979.db2.gz KWZAEYIQAGIFNC-INIZCTEOSA-N 1 0 316.409 0.945 50 0 DCAARO CC(C)c1ccc(C(=O)NC[C@]2(O)CCC[NH2+]CC2)c(=O)n1C ZINC000072171153 191069962 /nfs/dbraw/zinc/06/99/62/191069962.db2.gz MVABWIVJPPJDOP-KRWDZBQOSA-N 1 0 321.421 0.743 50 0 DCAARO CN1CC2(CCN(c3ncnc4c3CC[NH2+]C4)CC2)OC1=O ZINC000067907865 282675088 /nfs/dbraw/zinc/67/50/88/282675088.db2.gz DGNCDDOJUFFZAV-UHFFFAOYSA-N 1 0 303.366 0.543 50 0 DCAARO C[NH+](C)CC(=O)N1CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000072270837 191094750 /nfs/dbraw/zinc/09/47/50/191094750.db2.gz QJHDNBJENMXOPC-HNNXBMFYSA-N 1 0 309.385 0.565 50 0 DCAARO O=C1CN(c2nc(C3CC3)nc3c2CC[NH2+]CC3)CCCN1 ZINC000072422802 191158327 /nfs/dbraw/zinc/15/83/27/191158327.db2.gz UZQUPDMQFUFXGE-UHFFFAOYSA-N 1 0 301.394 0.369 50 0 DCAARO O[C@]1(CNCCc2noc(-c3ccccc3)n2)CCC[NH2+]C1 ZINC000072429002 191161797 /nfs/dbraw/zinc/16/17/97/191161797.db2.gz SWHWAFHKBWHXQV-MRXNPFEDSA-N 1 0 302.378 0.983 50 0 DCAARO CC(C)Cn1c(NCC[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000000119652 180699225 /nfs/dbraw/zinc/69/92/25/180699225.db2.gz KSFOLWYVRPFYIJ-UHFFFAOYSA-N 1 0 308.386 0.053 50 0 biogenic DCAARO C[N@@H+]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000003310166 181002709 /nfs/dbraw/zinc/00/27/09/181002709.db2.gz UWKGHNSYCKDEGX-UHFFFAOYSA-N 1 0 301.346 0.447 50 0 DCAARO C[NH+](C)CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000004601822 181129307 /nfs/dbraw/zinc/12/93/07/181129307.db2.gz OIKVCLJPMCQXMP-UHFFFAOYSA-N 1 0 313.379 0.248 50 0 DCAARO COC(=O)CCn1cc(CN2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC000072477520 291052553 /nfs/dbraw/zinc/05/25/53/291052553.db2.gz HKMDDJBJIDSRCY-MRXNPFEDSA-N 1 0 324.425 0.335 50 0 DCAARO CCn1cc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000073674254 191340762 /nfs/dbraw/zinc/34/07/62/191340762.db2.gz FXLKHUUUACMZKS-CQSZACIVSA-N 1 0 321.425 0.272 50 0 DCAARO Cc1ccc(N2C[C@@H](NC(=O)NCC[NH+](C)C)CC2=O)cc1 ZINC000005123418 181206366 /nfs/dbraw/zinc/20/63/66/181206366.db2.gz UFFPPCNNEURDMH-ZDUSSCGKSA-N 1 0 304.394 0.961 50 0 DCAARO OCC[NH+](CCO)C[C@@H](O)COCc1ccccc1Cl ZINC000005771225 181282479 /nfs/dbraw/zinc/28/24/79/181282479.db2.gz MTHMZXBQXIZZRV-CYBMUJFWSA-N 1 0 303.786 0.504 50 0 DCAARO C[C@@H]1CN(C(=O)c2cccc(CN3CCOCC3)c2)CC[NH2+]1 ZINC000237368224 202244669 /nfs/dbraw/zinc/24/46/69/202244669.db2.gz BVHTVHIQDSMCKE-CQSZACIVSA-N 1 0 303.406 0.953 50 0 DCAARO O=C(NCCOc1cccc(C(F)(F)F)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277668012 238332027 /nfs/dbraw/zinc/33/20/27/238332027.db2.gz UMHZOZDNFMCJOF-CMPLNLGQSA-N 1 0 318.295 0.923 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2=NCCS2)CC1=O ZINC000195530211 201398692 /nfs/dbraw/zinc/39/86/92/201398692.db2.gz RUEJCOBRXMUGCQ-NWDGAFQWSA-N 1 0 324.450 0.538 50 0 DCAARO NC(=O)CN1CC2(CCC1=O)CC[NH+](C[C@H]1CCOC1)CC2 ZINC000091616834 193079628 /nfs/dbraw/zinc/07/96/28/193079628.db2.gz AOSNSNGHFYHOJE-CYBMUJFWSA-N 1 0 309.410 0.213 50 0 DCAARO Cc1nn(CCO)cc1C[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000091493907 193063920 /nfs/dbraw/zinc/06/39/20/193063920.db2.gz QZMWVBLIWDEPHA-OAHLLOKOSA-N 1 0 309.410 0.690 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@@H]1CO ZINC000091746077 193099924 /nfs/dbraw/zinc/09/99/24/193099924.db2.gz XGAWMWCHUAVZIO-CHWSQXEVSA-N 1 0 310.369 0.833 50 0 DCAARO CNc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)ccn1 ZINC000219483502 201557639 /nfs/dbraw/zinc/55/76/39/201557639.db2.gz YVZAIWYCNLXNGL-ZIAGYGMSSA-N 1 0 322.409 0.589 50 0 DCAARO CC1(C)SC[C@@H](C(=O)NCc2ccc(C[NH3+])cc2)NC1=O ZINC000097370317 193711449 /nfs/dbraw/zinc/71/14/49/193711449.db2.gz ABBNNOYLSGHYCH-LBPRGKRZSA-N 1 0 307.419 0.772 50 0 DCAARO Cc1c(O)ccc2c(CN3CC[NH+](CCO)CC3)cc(=O)oc12 ZINC000019371265 182119904 /nfs/dbraw/zinc/11/99/04/182119904.db2.gz RQSMFKPVFUFSDD-UHFFFAOYSA-N 1 0 318.373 0.917 50 0 DCAARO CC[NH+](CC)CCCNC(=O)c1c(O)nc2ccccn2c1=O ZINC000020356067 182211178 /nfs/dbraw/zinc/21/11/78/182211178.db2.gz RYPNXFMORSKFRZ-UHFFFAOYSA-N 1 0 318.377 0.862 50 0 DCAARO COC(=O)N1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000106763324 194250013 /nfs/dbraw/zinc/25/00/13/194250013.db2.gz MFINMSJDDOZXDT-STQMWFEESA-N 1 0 312.414 0.999 50 0 DCAARO COC[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccco1 ZINC000110655128 194347087 /nfs/dbraw/zinc/34/70/87/194347087.db2.gz RAIYGHWSSBTNFB-QWHCGFSZSA-N 1 0 310.398 0.512 50 0 DCAARO COCC[NH+](CCOC)CCN1C(=O)c2ccccc2C1=O ZINC000058010592 184066793 /nfs/dbraw/zinc/06/67/93/184066793.db2.gz NZNGPWSBLPRXDL-UHFFFAOYSA-N 1 0 306.362 0.877 50 0 DCAARO COC(=O)c1cc2n(n1)CCN(C(=O)CC1=CC[NH2+]CC1)C2 ZINC000065403559 184336929 /nfs/dbraw/zinc/33/69/29/184336929.db2.gz ATWZQDLQSCZMGN-UHFFFAOYSA-N 1 0 304.350 0.322 50 0 DCAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)Cn2cc3ccccc3n2)C1 ZINC000065404213 184338142 /nfs/dbraw/zinc/33/81/42/184338142.db2.gz VRZOSOMYWFAWDE-KGLIPLIRSA-N 1 0 302.378 0.560 50 0 DCAARO OCC[NH+](CCO)C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434658 285255659 /nfs/dbraw/zinc/25/56/59/285255659.db2.gz OGICOODSYAEWNY-KLZNEWFBSA-N 1 0 313.438 0.619 50 0 DCAARO Cc1nonc1CN(C)C(=O)Cc1ccc(OCC[NH3+])cc1 ZINC000426597147 257245864 /nfs/dbraw/zinc/24/58/64/257245864.db2.gz ABWZGLMRDMVBDF-UHFFFAOYSA-N 1 0 304.350 0.917 50 0 DCAARO COc1ccc(C(=O)N2CCN(C)C(=O)[C@H]2C)c(OCC[NH3+])c1 ZINC000426493901 257248418 /nfs/dbraw/zinc/24/84/18/257248418.db2.gz CMVCGQUFTMEVSP-LLVKDONJSA-N 1 0 321.377 0.335 50 0 DCAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCCc1c[nH]cn1 ZINC000426429861 257249983 /nfs/dbraw/zinc/24/99/83/257249983.db2.gz UGYPSDMXVSBQPJ-LBPRGKRZSA-N 1 0 302.382 0.432 50 0 DCAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)N1CCc2[nH]cnc2C1 ZINC000426420033 257250690 /nfs/dbraw/zinc/25/06/90/257250690.db2.gz UBDWSXDPTKCNDD-LBPRGKRZSA-N 1 0 314.393 0.658 50 0 DCAARO Cn1cccc(C[N@@H+]2CCC[C@@H](c3ccn(CCO)n3)C2)c1=O ZINC000426405537 257251381 /nfs/dbraw/zinc/25/13/81/257251381.db2.gz MSLNEXBJNTXXSJ-CQSZACIVSA-N 1 0 316.405 0.954 50 0 DCAARO Cc1nc(C)n(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000120319718 132142811 /nfs/dbraw/zinc/14/28/11/132142811.db2.gz UHIMAMJIVWLTDX-AWEZNQCLSA-N 1 0 309.414 0.368 50 0 DCAARO O=C(C[NH2+]CCN1CCOCC1)N1CCCc2ccccc21 ZINC000022037602 134654282 /nfs/dbraw/zinc/65/42/82/134654282.db2.gz RVCVNBKTUVSOII-UHFFFAOYSA-N 1 0 303.406 0.888 50 0 DCAARO Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[N@@H+](C)CC1 ZINC000008705039 395684890 /nfs/dbraw/zinc/68/48/90/395684890.db2.gz NGUIOGFZQKNDSU-UHFFFAOYSA-N 1 0 316.409 0.838 50 0 DCAARO C[NH+](C)CCNC(=O)CCNc1nc(Cl)nc2nc[nH]c21 ZINC000009049391 395685104 /nfs/dbraw/zinc/68/51/04/395685104.db2.gz QKYXSOZZBYSYEB-UHFFFAOYSA-N 1 0 311.777 0.486 50 0 DCAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(=O)[nH]n3)cn2)CC1 ZINC000022702065 395691931 /nfs/dbraw/zinc/69/19/31/395691931.db2.gz LOQRUAPOZQMTSW-UHFFFAOYSA-N 1 0 314.349 0.581 50 0 DCAARO CCCC[N@H+](C[C@@H](O)Cn1cccn1)C[C@H](O)Cn1cccn1 ZINC000001900519 395681254 /nfs/dbraw/zinc/68/12/54/395681254.db2.gz GRILMJRDQXJGMC-IYBDPMFKSA-N 1 0 321.425 0.604 50 0 DCAARO Cc1nn(C)c(C)c1CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000089505725 395712578 /nfs/dbraw/zinc/71/25/78/395712578.db2.gz IEKSBWHLPOVXPY-HOTGVXAUSA-N 1 0 320.437 0.637 50 0 DCAARO COC(=O)[C@H]1C[C@@H]([N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)[C@@H](O)C1 ZINC000089755582 395714900 /nfs/dbraw/zinc/71/49/00/395714900.db2.gz XKCCSQWBVUGRCU-MHEUCROKSA-N 1 0 307.394 0.597 50 0 DCAARO COC[C@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)C(C)C ZINC000089791403 395715259 /nfs/dbraw/zinc/71/52/59/395715259.db2.gz JMVITQDTCCNBGJ-HNNXBMFYSA-N 1 0 307.442 0.989 50 0 DCAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CNC(=O)N1 ZINC000089834918 395715822 /nfs/dbraw/zinc/71/58/22/395715822.db2.gz XEMVDFRYCLXKJJ-CABCVRRESA-N 1 0 316.405 0.696 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000089930502 395717138 /nfs/dbraw/zinc/71/71/38/395717138.db2.gz WCCWTWTVZRPQAJ-STQMWFEESA-N 1 0 308.382 0.014 50 0 DCAARO O=C(NCc1cc(F)ccc1Br)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000038039482 395730986 /nfs/dbraw/zinc/73/09/86/395730986.db2.gz MBZFJPBBFNLXFS-ONGXEEELSA-N 1 0 317.158 0.927 50 0 DCAARO C[C@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[NH+]1CCCC1 ZINC000042509352 395745869 /nfs/dbraw/zinc/74/58/69/395745869.db2.gz VRERJUWBUUVGIY-OLZOCXBDSA-N 1 0 317.455 0.401 50 0 DCAARO Cn1cc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cn1 ZINC000097197979 395755570 /nfs/dbraw/zinc/75/55/70/395755570.db2.gz ZRQLBYUSAKOUQS-UHFFFAOYSA-N 1 0 308.407 0.629 50 0 DCAARO COC[C@H](Cc1ccccc1)NC(=O)C1(O)CC[NH+](C)CC1 ZINC000097636688 395759736 /nfs/dbraw/zinc/75/97/36/395759736.db2.gz VTEXMCNMASOTAC-HNNXBMFYSA-N 1 0 306.406 0.817 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cnnc2)nc1 ZINC000097742921 395760326 /nfs/dbraw/zinc/76/03/26/395760326.db2.gz SCNYMNILJMAWOE-ZDUSSCGKSA-N 1 0 300.366 0.876 50 0 DCAARO COc1ccccc1CNc1c(=O)c(=O)c1N1CCN(C)CC1 ZINC000101687509 395766703 /nfs/dbraw/zinc/76/67/03/395766703.db2.gz HPQOBVYXZGESPR-UHFFFAOYSA-N 1 0 315.373 0.655 50 0 DCAARO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000101915856 395768029 /nfs/dbraw/zinc/76/80/29/395768029.db2.gz VMKJPKQQHRODRH-ZSHCYNCHSA-N 1 0 303.381 0.935 50 0 DCAARO C[C@@H]1CCC[N@H+](CCNC(=O)NCCNc2cnccn2)C1 ZINC000046382408 395776204 /nfs/dbraw/zinc/77/62/04/395776204.db2.gz ABDFTQCYCVMHLW-CYBMUJFWSA-N 1 0 306.414 0.920 50 0 DCAARO Cc1nc2ncnn2c(C)c1CCC(=O)NCC[N@@H+](C)C1CC1 ZINC000048289664 395812401 /nfs/dbraw/zinc/81/24/01/395812401.db2.gz LPMIMBKVQPPDAU-UHFFFAOYSA-N 1 0 316.409 0.884 50 0 DCAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCn1ccnn1 ZINC000222529840 395852717 /nfs/dbraw/zinc/85/27/17/395852717.db2.gz GWPGUMMOIKYJCT-AWEZNQCLSA-N 1 0 312.377 0.836 50 0 DCAARO Cn1ncnc1CCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000223888069 395857464 /nfs/dbraw/zinc/85/74/64/395857464.db2.gz CMJZRVRCEKJUGE-ZDUSSCGKSA-N 1 0 312.377 0.525 50 0 DCAARO C[NH+](C)C1(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000047594081 395796002 /nfs/dbraw/zinc/79/60/02/395796002.db2.gz STPYURPSUTYWLK-LLVKDONJSA-N 1 0 303.428 0.347 50 0 DCAARO Cc1nc2ncc(-c3ccnc(N4CC[NH+](C)CC4)n3)c(C)n2n1 ZINC000054201994 395895531 /nfs/dbraw/zinc/89/55/31/395895531.db2.gz CIQPTXWKQLLYRW-UHFFFAOYSA-N 1 0 324.392 0.950 50 0 DCAARO CC(C)Cn1cncc1CNC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055089932 395910560 /nfs/dbraw/zinc/91/05/60/395910560.db2.gz YAHFHEBJFZHLJX-CYBMUJFWSA-N 1 0 321.425 0.353 50 0 DCAARO C[NH+](C)C1(CNC(=O)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000052550874 395864829 /nfs/dbraw/zinc/86/48/29/395864829.db2.gz XVPWWOIGAVJEEB-LBPRGKRZSA-N 1 0 302.440 0.802 50 0 DCAARO Cc1nc(CN(C)[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)no1 ZINC000229296514 395873872 /nfs/dbraw/zinc/87/38/72/395873872.db2.gz NYERKXUJCINVLX-ZIAGYGMSSA-N 1 0 320.397 0.142 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)N2CCO[C@@H](C)C2)n1 ZINC000229481132 395874640 /nfs/dbraw/zinc/87/46/40/395874640.db2.gz DPNTWEFHROFVDW-WFASDCNBSA-N 1 0 321.425 0.607 50 0 DCAARO C[C@@H](Cc1ccccc1)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000230284169 395880133 /nfs/dbraw/zinc/88/01/33/395880133.db2.gz ZDMPQBQIPVZAIM-ZFWWWQNUSA-N 1 0 301.390 0.508 50 0 DCAARO C[N@@H+]1CCC[C@H](C(=O)NCc2csc(N3CCOCC3)n2)C1 ZINC000230570092 395881903 /nfs/dbraw/zinc/88/19/03/395881903.db2.gz SNHDFVSKMDHMGO-LBPRGKRZSA-N 1 0 324.450 0.938 50 0 DCAARO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000248119916 395982529 /nfs/dbraw/zinc/98/25/29/395982529.db2.gz JUOBMIYVMTXKKS-MGPQQGTHSA-N 1 0 311.451 0.993 50 0 DCAARO O=C(N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1ccc(O)cn1 ZINC000252527468 396022267 /nfs/dbraw/zinc/02/22/67/396022267.db2.gz CPVHIHLMXPMGMB-WHOFXGATSA-N 1 0 305.378 0.656 50 0 DCAARO CS(=O)(=O)NC[C@H]1CC[N@@H+](C2CSCCSC2)C1 ZINC000067676397 396031052 /nfs/dbraw/zinc/03/10/52/396031052.db2.gz KXDURDYHSMXCKI-SNVBAGLBSA-N 1 0 310.510 0.706 50 0 DCAARO CCn1c(=O)n(CCn2ccc(C)n2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067673858 396031221 /nfs/dbraw/zinc/03/12/21/396031221.db2.gz ZYSXEEFPVNCTOY-CYBMUJFWSA-N 1 0 304.398 0.737 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1cccc(O)c1 ZINC000067727159 396031813 /nfs/dbraw/zinc/03/18/13/396031813.db2.gz DUVXQQUUTKNDRY-ZFWWWQNUSA-N 1 0 319.405 0.731 50 0 DCAARO COCCOC(=O)N[C@H](c1nnc2n1CC[NH2+]CC2)C(C)C ZINC000067754440 396032584 /nfs/dbraw/zinc/03/25/84/396032584.db2.gz YVJBQWQLDUCRMK-LBPRGKRZSA-N 1 0 311.386 0.494 50 0 DCAARO NC(=O)COc1ccc(/C=C\C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000255391306 396032974 /nfs/dbraw/zinc/03/29/74/396032974.db2.gz MVUWTNSATVFCFI-UJZCVKTISA-N 1 0 303.362 0.514 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1n[nH]c2c1CCCC2 ZINC000067772528 396033418 /nfs/dbraw/zinc/03/34/18/396033418.db2.gz WOGBNELQLACBFY-MFKMUULPSA-N 1 0 319.409 0.355 50 0 DCAARO O=C(c1cc(CN2CCOCC2)on1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000067774318 396033479 /nfs/dbraw/zinc/03/34/79/396033479.db2.gz CTHZYIXSVONXSF-CYBMUJFWSA-N 1 0 320.393 0.427 50 0 DCAARO COC(=O)C1(C(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)CC1 ZINC000067784813 396033940 /nfs/dbraw/zinc/03/39/40/396033940.db2.gz ISUFABHNBHHXLO-UHFFFAOYSA-N 1 0 323.437 0.568 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(OC)ccc1OC ZINC000067805840 396034296 /nfs/dbraw/zinc/03/42/96/396034296.db2.gz KODORNSURSHYFB-JSGCOSHPSA-N 1 0 307.394 0.742 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1nc(C(C)C)cs1 ZINC000067868970 396037038 /nfs/dbraw/zinc/03/70/38/396037038.db2.gz MKCTVDKKEFSKQK-ONGXEEELSA-N 1 0 310.423 0.944 50 0 DCAARO Cc1cn(CC(=O)Nc2cnc3n2CCCC3)c(=O)[nH]c1=O ZINC000067872578 396037189 /nfs/dbraw/zinc/03/71/89/396037189.db2.gz LVCODEGBJAUASH-UHFFFAOYSA-N 1 0 303.322 0.017 50 0 DCAARO COCCN1C[C@@H](CNc2ncnc3c2CC[NH2+]C3)CC1=O ZINC000067920187 396039024 /nfs/dbraw/zinc/03/90/24/396039024.db2.gz YPLUTIUNXNGYMZ-LLVKDONJSA-N 1 0 305.382 0.029 50 0 DCAARO Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067954694 396040253 /nfs/dbraw/zinc/04/02/53/396040253.db2.gz FMQVOAGLCSDPEQ-INIZCTEOSA-N 1 0 303.410 0.820 50 0 DCAARO OC[C@@H](O)C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000067967114 396040803 /nfs/dbraw/zinc/04/08/03/396040803.db2.gz JVXULXFKSCIDOB-HNNXBMFYSA-N 1 0 316.405 0.275 50 0 DCAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(=O)n(C)n1 ZINC000257365754 396046573 /nfs/dbraw/zinc/04/65/73/396046573.db2.gz KKJXWAGCJCTLGI-UONOGXRCSA-N 1 0 304.394 0.869 50 0 DCAARO C[C@H](C(N)=O)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000068827790 396064611 /nfs/dbraw/zinc/06/46/11/396064611.db2.gz DGWLDYBSIXCBDQ-LLVKDONJSA-N 1 0 309.435 0.993 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000249697450 396011205 /nfs/dbraw/zinc/01/12/05/396011205.db2.gz UTEBLFAJAZHTCT-CHWSQXEVSA-N 1 0 317.455 0.401 50 0 DCAARO Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)c1 ZINC000252489062 396021199 /nfs/dbraw/zinc/02/11/99/396021199.db2.gz JEELXZYMXNIOSQ-XRGAULLZSA-N 1 0 304.390 0.997 50 0 DCAARO COc1cccc(CNC(=O)C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000069656180 396085900 /nfs/dbraw/zinc/08/59/00/396085900.db2.gz AONZSNOGXJXZLW-OAHLLOKOSA-N 1 0 307.394 0.232 50 0 DCAARO COc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000069741023 396089565 /nfs/dbraw/zinc/08/95/65/396089565.db2.gz KNHYNKPXDLPYTA-STQMWFEESA-N 1 0 318.377 0.631 50 0 DCAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC000069843164 396092024 /nfs/dbraw/zinc/09/20/24/396092024.db2.gz SAPATCDQEBCNPT-RYUDHWBXSA-N 1 0 303.428 0.011 50 0 DCAARO CC(=O)N1CCC([N@@H+]2CC[C@H](CO)[C@H](NC(=O)C3CC3)C2)CC1 ZINC000169786472 396092629 /nfs/dbraw/zinc/09/26/29/396092629.db2.gz XDXVZSNPNUTHMZ-GDBMZVCRSA-N 1 0 323.437 0.206 50 0 DCAARO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000070040112 396099051 /nfs/dbraw/zinc/09/90/51/396099051.db2.gz WJLOTJXUAQECLP-CYBMUJFWSA-N 1 0 317.393 0.254 50 0 DCAARO CC(C)n1nccc1NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000071864429 396119281 /nfs/dbraw/zinc/11/92/81/396119281.db2.gz AAUQDUXGJIUYRA-ZIAGYGMSSA-N 1 0 323.441 0.789 50 0 DCAARO COCCCNC(=O)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000071877471 396121308 /nfs/dbraw/zinc/12/13/08/396121308.db2.gz MQHLJRRLOZFWMG-AWEZNQCLSA-N 1 0 321.425 0.530 50 0 DCAARO CCN1CCO[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000071880816 396122355 /nfs/dbraw/zinc/12/23/55/396122355.db2.gz WBSNEWLXUIZCMM-AWEZNQCLSA-N 1 0 312.435 0.900 50 0 DCAARO CCc1nc2ccccc2n1CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262327694 396124790 /nfs/dbraw/zinc/12/47/90/396124790.db2.gz RXUQMAOERINTAX-RISCZKNCSA-N 1 0 302.378 0.295 50 0 DCAARO Cc1cc(C)n(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000072269508 396129232 /nfs/dbraw/zinc/12/92/32/396129232.db2.gz GLZSMOJQNJHFJO-CVEARBPZSA-N 1 0 320.437 0.948 50 0 DCAARO Nc1nc2c(c(NCc3ccc4nonc4c3)n1)CC[NH2+]CC2 ZINC000072478179 396131602 /nfs/dbraw/zinc/13/16/02/396131602.db2.gz FSNNWVSMEFILLX-UHFFFAOYSA-N 1 0 311.349 0.895 50 0 DCAARO O=C1C[C@@H]([NH2+]Cc2ccncc2)CN1CCN1CCOCC1 ZINC000172697018 396132743 /nfs/dbraw/zinc/13/27/43/396132743.db2.gz BHOXOBPWLBFHFE-OAHLLOKOSA-N 1 0 304.394 0.104 50 0 DCAARO CC(C)NC(=O)[C@@H](C)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000069417361 396077916 /nfs/dbraw/zinc/07/79/16/396077916.db2.gz QNLLHIIKUFWORC-CQSZACIVSA-N 1 0 310.442 0.140 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)o2)C[C@H]1[NH+](C)C ZINC000076051587 396193504 /nfs/dbraw/zinc/19/35/04/396193504.db2.gz CKVKLNVMZDNPPO-CMPLNLGQSA-N 1 0 314.407 0.846 50 0 DCAARO Cc1cc(=O)c(O)c(CN2CC[NH+](C3CCOCC3)CC2)o1 ZINC000079490357 396265927 /nfs/dbraw/zinc/26/59/27/396265927.db2.gz KYUYMFFLALMHMO-UHFFFAOYSA-N 1 0 308.378 0.950 50 0 DCAARO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)NC3=O)C2)c(OC)c1 ZINC000077287843 396217328 /nfs/dbraw/zinc/21/73/28/396217328.db2.gz GSFNSWYYJKTQJH-MRXNPFEDSA-N 1 0 304.346 0.942 50 0 DCAARO Nc1n[nH]c(CCC(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000077299566 396218185 /nfs/dbraw/zinc/21/81/85/396218185.db2.gz PXYGFJMYMGOIMB-UHFFFAOYSA-N 1 0 306.414 0.796 50 0 DCAARO COc1ccc(CCN(C)C[C@@]2(O)C[NH2+]CCOC2)cc1OC ZINC000077323521 396218203 /nfs/dbraw/zinc/21/82/03/396218203.db2.gz YZXWQIMZXBNZJJ-KRWDZBQOSA-N 1 0 324.421 0.529 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000584887539 396633283 /nfs/dbraw/zinc/63/32/83/396633283.db2.gz IAOWDZMRKFQOHR-IUCAKERBSA-N 1 0 306.288 0.877 50 0 DCAARO COCCn1cnnc1[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000584897266 396635798 /nfs/dbraw/zinc/63/57/98/396635798.db2.gz IFHAIQCRONDNEO-LBPRGKRZSA-N 1 0 309.414 0.976 50 0 DCAARO Cc1cccc(C)c1OCCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000584902380 396637190 /nfs/dbraw/zinc/63/71/90/396637190.db2.gz JUIDGRFYBPZSFG-GJZGRUSLSA-N 1 0 321.421 0.999 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000606441827 397680977 /nfs/dbraw/zinc/68/09/77/397680977.db2.gz HQIINARQWRSKKG-OYVUYXNMSA-N 1 0 323.418 0.558 50 0 DCAARO COCCCS(=O)(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000132137653 158308283 /nfs/dbraw/zinc/30/82/83/158308283.db2.gz LXTFNCZVDLAWSR-CYBMUJFWSA-N 1 0 306.428 0.149 50 0 DCAARO CC(=O)NC[C@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000330514259 159184105 /nfs/dbraw/zinc/18/41/05/159184105.db2.gz DMJPAVDCMOVLEB-CYBMUJFWSA-N 1 0 305.444 0.116 50 0 DCAARO CC(=O)NCC1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000330541064 159189996 /nfs/dbraw/zinc/18/99/96/159189996.db2.gz VZDIUGXAAZUNJG-UHFFFAOYSA-N 1 0 305.444 0.116 50 0 DCAARO CN1CCC([NH+]2CCC(NC(=O)c3ccnnc3)CC2)CC1 ZINC000131159444 196145949 /nfs/dbraw/zinc/14/59/49/196145949.db2.gz BSUSNVUNEKTXLO-UHFFFAOYSA-N 1 0 303.410 0.765 50 0 DCAARO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000007458797 415141173 /nfs/dbraw/zinc/14/11/73/415141173.db2.gz XYWFEDRNJKBWOL-GFCCVEGCSA-N 1 0 319.405 0.897 50 0 DCAARO C[NH+](C)CCNC(=O)C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000009060458 415144313 /nfs/dbraw/zinc/14/43/13/415144313.db2.gz AZNGMKHROJVXND-UHFFFAOYSA-N 1 0 317.397 0.247 50 0 DCAARO Cc1csc(N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)n1 ZINC000044975420 415239070 /nfs/dbraw/zinc/23/90/70/415239070.db2.gz FUGMZGSKNYLOJU-CYBMUJFWSA-N 1 0 307.423 0.831 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2=NN(C)C(=O)CC2)C1 ZINC000044893837 415228480 /nfs/dbraw/zinc/22/84/80/415228480.db2.gz CHIQDFRSEANCEG-LBPRGKRZSA-N 1 0 310.398 0.068 50 0 DCAARO CCCn1nc(C(=O)N2CCC[N@H+](CCOC)CC2)ccc1=O ZINC000048289712 415288334 /nfs/dbraw/zinc/28/83/34/415288334.db2.gz LWOBUHIPYPBQRE-UHFFFAOYSA-N 1 0 322.409 0.448 50 0 DCAARO Cc1cccc(C[NH+]2CCC(NC(=O)Cn3cnnn3)CC2)c1 ZINC000048250291 415288712 /nfs/dbraw/zinc/28/87/12/415288712.db2.gz SOFLZADAAPGCBB-UHFFFAOYSA-N 1 0 314.393 0.762 50 0 DCAARO Cn1cnc2cc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)cnc21 ZINC000072154580 415408927 /nfs/dbraw/zinc/40/89/27/415408927.db2.gz VFABSQGUVRWKNI-MRXNPFEDSA-N 1 0 317.393 0.497 50 0 DCAARO O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCc2c(nc[nH]c2=O)C1 ZINC000072157001 415410206 /nfs/dbraw/zinc/41/02/06/415410206.db2.gz JGNGPIXMXYPDDL-UKRRQHHQSA-N 1 0 316.405 0.919 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000067433196 415374205 /nfs/dbraw/zinc/37/42/05/415374205.db2.gz MRPWCLOYJJGZFF-HIFRSBDPSA-N 1 0 312.373 0.765 50 0 DCAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000075132394 415438902 /nfs/dbraw/zinc/43/89/02/415438902.db2.gz OCWLIKNSSDFOEP-LBPRGKRZSA-N 1 0 305.382 0.726 50 0 DCAARO Cc1cc(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[nH]n1 ZINC000095366861 415552863 /nfs/dbraw/zinc/55/28/63/415552863.db2.gz UJDYBNMOUZLIHU-LBPRGKRZSA-N 1 0 307.398 0.087 50 0 DCAARO Cc1ccc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)o1 ZINC000095370185 415554983 /nfs/dbraw/zinc/55/49/83/415554983.db2.gz CPWNHJFVIGTEPM-ZDUSSCGKSA-N 1 0 307.394 0.657 50 0 DCAARO O=C(C[NH2+]Cc1ccc(N2CCCC2)nc1)N1CCOCC1 ZINC000097035200 415581595 /nfs/dbraw/zinc/58/15/95/415581595.db2.gz HFGLUNVKLJGNAG-UHFFFAOYSA-N 1 0 304.394 0.630 50 0 DCAARO CCN(C(=O)c1cc(C)ccc1OCC[NH3+])[C@H]1COC[C@@H]1O ZINC000299769416 416066175 /nfs/dbraw/zinc/06/61/75/416066175.db2.gz NGDSJTJJROJCPO-KBPBESRZSA-N 1 0 308.378 0.554 50 0 DCAARO CO[C@]12CC[N@H+](Cc3cn(CCO)nc3C)[C@H]1C[C@@H](O)CC2 ZINC000299765629 416066253 /nfs/dbraw/zinc/06/62/53/416066253.db2.gz OYKWWRSNMHQHPA-HRCADAONSA-N 1 0 309.410 0.688 50 0 DCAARO CO[C@]12CC[N@H+](CCn3c(=O)cc(C)[nH]c3=O)[C@H]1C[C@H](O)CC2 ZINC000299781775 416067478 /nfs/dbraw/zinc/06/74/78/416067478.db2.gz RYDRLPZJGPHWBF-DVOMOZLQSA-N 1 0 323.393 0.262 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)NCc2nc3cc(F)ccc3[nH]2)CC1 ZINC000299782883 416067643 /nfs/dbraw/zinc/06/76/43/416067643.db2.gz IBEZKIHPJKFDCM-UHFFFAOYSA-N 1 0 319.384 0.956 50 0 DCAARO Cc1cc(CN(C)C(=O)CC[NH+]2CCC(C(N)=O)CC2)[nH]n1 ZINC000299789707 416069497 /nfs/dbraw/zinc/06/94/97/416069497.db2.gz ADPDHYXCEVJUKJ-UHFFFAOYSA-N 1 0 307.398 0.264 50 0 DCAARO CC[C@@H]1C(=O)NCCN1C(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000299798787 416070678 /nfs/dbraw/zinc/07/06/78/416070678.db2.gz SQXFCVDGONURQR-CYBMUJFWSA-N 1 0 323.368 0.904 50 0 DCAARO CN(c1cccnn1)C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000171628875 416040390 /nfs/dbraw/zinc/04/03/90/416040390.db2.gz MUBBFCFYVHHBPO-OAHLLOKOSA-N 1 0 316.409 0.635 50 0 DCAARO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189567056 416268482 /nfs/dbraw/zinc/26/84/82/416268482.db2.gz HAMFXDSPAHDYNK-VXGBXAGGSA-N 1 0 323.359 0.538 50 0 DCAARO C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3S(C)(=O)=O)C[C@H]2C1 ZINC000192496259 416307352 /nfs/dbraw/zinc/30/73/52/416307352.db2.gz WYFPJNMWEGQMDL-TXEJJXNPSA-N 1 0 308.403 0.724 50 0 DCAARO Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CCO2)c1 ZINC000253431534 416334741 /nfs/dbraw/zinc/33/47/41/416334741.db2.gz SCVGFEUMJKXJJF-KKUMJFAQSA-N 1 0 306.410 0.617 50 0 DCAARO Cn1ccnc1C1CCN(C(=O)C2CC[NH+](CCO)CC2)CC1 ZINC000215640367 416327303 /nfs/dbraw/zinc/32/73/03/416327303.db2.gz XJZJQSOOBQTULD-UHFFFAOYSA-N 1 0 320.437 0.830 50 0 DCAARO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000240569415 416329931 /nfs/dbraw/zinc/32/99/31/416329931.db2.gz HAMFXDSPAHDYNK-NWDGAFQWSA-N 1 0 323.359 0.538 50 0 DCAARO CO[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000240555825 416330099 /nfs/dbraw/zinc/33/00/99/416330099.db2.gz GXMNQKCYNLKYOO-KBPBESRZSA-N 1 0 309.410 0.176 50 0 DCAARO Cc1nn(C)cc1C(=O)N[C@@H]([C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000244633272 416330243 /nfs/dbraw/zinc/33/02/43/416330243.db2.gz GAEFGUVIOROQLS-VNHYZAJKSA-N 1 0 306.410 0.597 50 0 DCAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCC(c3nc(N)n[nH]3)CC2)C1 ZINC000244647060 416330786 /nfs/dbraw/zinc/33/07/86/416330786.db2.gz GUKLQOPGGKFRHQ-GFCCVEGCSA-N 1 0 322.413 0.061 50 0 DCAARO COc1ccc(C(=O)CCC(=O)NC[C@@]2(O)CC[NH2+]C2)cc1 ZINC000244741830 416330858 /nfs/dbraw/zinc/33/08/58/416330858.db2.gz NXPGTYSXJICHEZ-MRXNPFEDSA-N 1 0 306.362 0.499 50 0 DCAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCC(c3nc(N)n[nH]3)CC2)C1 ZINC000244647061 416330873 /nfs/dbraw/zinc/33/08/73/416330873.db2.gz GUKLQOPGGKFRHQ-LBPRGKRZSA-N 1 0 322.413 0.061 50 0 DCAARO C[C@H](CCNC(=O)c1[nH]nc(N)c1Cl)[NH+]1CCN(C)CC1 ZINC000534634527 416506484 /nfs/dbraw/zinc/50/64/84/416506484.db2.gz WVIPPGPASVPUEI-SECBINFHSA-N 1 0 314.821 0.401 50 0 DCAARO CC(=O)N1CC[C@]([NH3+])(C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000643779446 417354433 /nfs/dbraw/zinc/35/44/33/417354433.db2.gz BPQJJXJUICEUDC-MRXNPFEDSA-N 1 0 302.378 0.849 50 0 DCAARO CCOCCS(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652383597 417897235 /nfs/dbraw/zinc/89/72/35/417897235.db2.gz AMHZHEOIFIZQOB-BFHYXJOUSA-N 1 0 320.455 0.714 50 0 DCAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000299750175 229394270 /nfs/dbraw/zinc/39/42/70/229394270.db2.gz MRTDGBDRDRTVMV-PMPSAXMXSA-N 1 0 304.390 0.963 50 0 DCAARO O=C1[C@H]2CCCN2C(=O)[C@@H]2C[C@H]([NH2+]Cc3cccc(F)c3)CN12 ZINC000014543468 275031009 /nfs/dbraw/zinc/03/10/09/275031009.db2.gz OONOTDVEFNMYME-ZNMIVQPWSA-N 1 0 317.364 0.889 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(n2cnnn2)CCCCC1 ZINC000095476414 276372051 /nfs/dbraw/zinc/37/20/51/276372051.db2.gz RGEWARDOQTUXRK-CYBMUJFWSA-N 1 0 306.414 0.933 50 0 DCAARO COc1ccc(OC[C@H](O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000021473932 277922102 /nfs/dbraw/zinc/92/21/02/277922102.db2.gz ITDADNMFWNSILP-CYBMUJFWSA-N 1 0 308.378 0.632 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H](C)CO1 ZINC000299739145 278790340 /nfs/dbraw/zinc/79/03/40/278790340.db2.gz LDSZKMKBOADNCS-SCRDCRAPSA-N 1 0 313.423 0.630 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])[C@@H](C)CO1 ZINC000299738442 288232690 /nfs/dbraw/zinc/23/26/90/288232690.db2.gz ATMYTQDOYWUOHP-RVMXOQNASA-N 1 0 305.444 0.400 50 0 DCAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000025561559 331602253 /nfs/dbraw/zinc/60/22/53/331602253.db2.gz XIQJJMDXZDBZSW-HNNXBMFYSA-N 1 0 322.405 0.885 50 0 DCAARO CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc2c(F)cccc2c1O ZINC000534588307 334292933 /nfs/dbraw/zinc/29/29/33/334292933.db2.gz VVXQLONFEZZAJF-STQMWFEESA-N 1 0 319.336 0.726 50 0 DCAARO Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2C=CC[NH2+]2)n1 ZINC000534676195 334323538 /nfs/dbraw/zinc/32/35/38/334323538.db2.gz CCCFFLXIXBVPCI-VIFPVBQESA-N 1 0 300.284 0.991 50 0 DCAARO CCc1cccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000097105678 337382239 /nfs/dbraw/zinc/38/22/39/337382239.db2.gz SYMAUDHQRLUKRM-UHFFFAOYSA-N 1 0 311.451 0.775 50 0 DCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1cn2ccsc2n1 ZINC000091951869 518200720 /nfs/dbraw/zinc/20/07/20/518200720.db2.gz HUNLODVNMDUBGA-RYUDHWBXSA-N 1 0 306.391 0.989 50 0 DCAARO [NH3+]C[C@@H]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000178584050 534686238 /nfs/dbraw/zinc/68/62/38/534686238.db2.gz DXSQWGUXNVLEJG-JTQLQIEISA-N 1 0 316.810 0.921 50 0 DCAARO Cc1cccc([C@H](CC(=O)N2CC[NH2+][C@H](C)C2)NC(N)=O)c1 ZINC000299739382 534761695 /nfs/dbraw/zinc/76/16/95/534761695.db2.gz NUANDCLARUHJSG-OCCSQVGLSA-N 1 0 304.394 0.915 50 0 DCAARO Cc1noc(-c2ccc(NC(=O)N[C@@H]3C[NH2+]CC[C@H]3O)cc2)n1 ZINC000299759960 534875191 /nfs/dbraw/zinc/87/51/91/534875191.db2.gz RJFYHGBJOIBAKP-CHWSQXEVSA-N 1 0 317.349 0.889 50 0 DCAARO COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000158228764 526078060 /nfs/dbraw/zinc/07/80/60/526078060.db2.gz WDOCGVSFWBIZQZ-ZBFHGGJFSA-N 1 0 319.405 0.692 50 0 DCAARO CC(=O)N[C@@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000299739928 526847184 /nfs/dbraw/zinc/84/71/84/526847184.db2.gz SZYSYMDMJYFXKU-OAHLLOKOSA-N 1 0 301.390 0.610 50 0 DCAARO CC(=O)N[C@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000299739927 526896733 /nfs/dbraw/zinc/89/67/33/526896733.db2.gz SZYSYMDMJYFXKU-HNNXBMFYSA-N 1 0 301.390 0.610 50 0 DCAARO [NH3+][C@@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000191355935 527346057 /nfs/dbraw/zinc/34/60/57/527346057.db2.gz MVJHYHAPNQLKQT-GFCCVEGCSA-N 1 0 300.362 0.736 50 0 DCAARO O=C1NCC2(CC[NH+](Cc3cc(=O)n4ccccc4n3)CC2)O1 ZINC000670439937 547090751 /nfs/dbraw/zinc/09/07/51/547090751.db2.gz AKYMWEYPCCBGBG-UHFFFAOYSA-N 1 0 314.345 0.769 50 0 DCAARO COC(=O)N[C@H](C)C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000670451718 547096278 /nfs/dbraw/zinc/09/62/78/547096278.db2.gz NRJHDHBPXPIFFD-GFCCVEGCSA-N 1 0 313.398 0.180 50 0 DCAARO CC1(C)CN(CCNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000888096818 661174971 /nfs/dbraw/zinc/17/49/71/661174971.db2.gz RYZZJWUCRXFHJX-INIZCTEOSA-N 1 0 324.425 0.112 50 0 DCAARO CN(Cc1ncc[nH]1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000426651178 661690052 /nfs/dbraw/zinc/69/00/52/661690052.db2.gz BTHLQCDVTQEFGM-LBPRGKRZSA-N 1 0 322.413 0.139 50 0 DCAARO COC[C@@]1(C(=O)N2CCN(Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000261870655 661769432 /nfs/dbraw/zinc/76/94/32/661769432.db2.gz LFNWHKMCEGDWCT-QGZVFWFLSA-N 1 0 318.421 0.352 50 0 DCAARO CSCC(=O)N1CCCN(C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC001772708705 1157847158 /nfs/dbraw/zinc/84/71/58/1157847158.db2.gz AUNLLPFIHCDHRC-ZDUSSCGKSA-N 1 0 313.467 0.752 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000952976638 685601268 /nfs/dbraw/zinc/60/12/68/685601268.db2.gz LVLPQHWSYKKEHE-BARDWOONSA-N 1 0 305.422 0.902 50 0 DCAARO Cc1cccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952984904 685601913 /nfs/dbraw/zinc/60/19/13/685601913.db2.gz YHJWRNUNPMRWOD-STQMWFEESA-N 1 0 304.394 0.765 50 0 DCAARO C[C@H](CN(C)S(=O)(=O)N1CCN(C)CC1)C[NH+]1CCCC1 ZINC000952982187 685602029 /nfs/dbraw/zinc/60/20/29/685602029.db2.gz ZRHADPWAMFNOCG-CQSZACIVSA-N 1 0 318.487 0.142 50 0 DCAARO O=C(NC[C@@H]1CCCO1)[C@H]1C[NH2+]C[C@@H](COc2cccnc2)C1 ZINC000014747581 685049106 /nfs/dbraw/zinc/04/91/06/685049106.db2.gz LWHMFSWBNINSPV-LZWOXQAQSA-N 1 0 319.405 0.981 50 0 DCAARO NC(=O)NCc1cn(CC2CC[NH+](C3CCOCC3)CC2)nn1 ZINC000020204721 685052040 /nfs/dbraw/zinc/05/20/40/685052040.db2.gz VAEWQVSPWPRTGP-UHFFFAOYSA-N 1 0 322.413 0.337 50 0 DCAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000068492161 685072642 /nfs/dbraw/zinc/07/26/42/685072642.db2.gz UCCYJZOARQDCHR-SNVBAGLBSA-N 1 0 313.785 0.726 50 0 DCAARO Cc1nc2c(c(N3CCC[C@H](C(N)=O)C3)n1)CC[N@H+](C)CC2 ZINC000072474083 685075086 /nfs/dbraw/zinc/07/50/86/685075086.db2.gz JXCYJNZCAWFTHV-LBPRGKRZSA-N 1 0 303.410 0.517 50 0 DCAARO Cc1nc(-c2cccnc2)ncc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000077565769 685081399 /nfs/dbraw/zinc/08/13/99/685081399.db2.gz KUWGVIJOMVUOIN-ZIAGYGMSSA-N 1 0 313.361 0.300 50 0 DCAARO COCC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCOCC1)CCO2 ZINC000169791355 685141244 /nfs/dbraw/zinc/14/12/44/685141244.db2.gz UNBWAJYXOAYFKW-CQSZACIVSA-N 1 0 312.410 0.505 50 0 DCAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(CCn2cnnc2)CC1 ZINC001772707828 1157845002 /nfs/dbraw/zinc/84/50/02/1157845002.db2.gz ZQIZSDKTABTZAO-OAHLLOKOSA-N 1 0 320.441 0.297 50 0 DCAARO CCn1cc(C(=O)N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)cn1 ZINC001704330242 1179975308 /nfs/dbraw/zinc/97/53/08/1179975308.db2.gz HDWNWMCALACGLD-GDBMZVCRSA-N 1 0 306.410 0.822 50 0 DCAARO COc1cccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[N@H+](C)C3)c1 ZINC001704337059 1179977779 /nfs/dbraw/zinc/97/77/79/1179977779.db2.gz SOGRJZMUBLMRNK-KGLIPLIRSA-N 1 0 320.389 0.863 50 0 DCAARO CNC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(C)C2)cs1 ZINC000823836844 758279360 /nfs/dbraw/zinc/27/93/60/758279360.db2.gz HZDMEWYOQZKGCI-MRVPVSSYSA-N 1 0 303.409 0.090 50 0 DCAARO C[NH+](C)CC1(CO)CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000828690149 759066024 /nfs/dbraw/zinc/06/60/24/759066024.db2.gz JDQAQLCFLYGQHX-UHFFFAOYSA-N 1 0 319.471 0.353 50 0 DCAARO CC(C)[NH+]1CCN(C(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000581783330 760249548 /nfs/dbraw/zinc/24/95/48/760249548.db2.gz QCXPUCZMDWOCJT-ZDUSSCGKSA-N 1 0 317.455 0.211 50 0 DCAARO CS(=O)(=O)CC[N@@H+]1CC[C@H](Cc2cccc(C(N)=O)c2)C1 ZINC000219584248 766272099 /nfs/dbraw/zinc/27/20/99/766272099.db2.gz ZZJSYCFSQPPGTD-CYBMUJFWSA-N 1 0 310.419 0.695 50 0 DCAARO COC[C@@H]1CCCN(S(=O)(=O)NCC(C)(C)[NH+](C)C)C1 ZINC001506397083 1017252602 /nfs/dbraw/zinc/25/26/02/1017252602.db2.gz YKZMSSUTMQTBJS-GFCCVEGCSA-N 1 0 307.460 0.519 50 0 DCAARO Cn1c(CN2CCOCC2)cc(=O)c(O)c1C[NH+]1CCCCC1 ZINC000095475270 185373234 /nfs/dbraw/zinc/37/32/34/185373234.db2.gz BRKQRNRAPAGTGB-UHFFFAOYSA-N 1 0 321.421 0.909 50 0 DCAARO COCc1noc(CCNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000095512737 185376536 /nfs/dbraw/zinc/37/65/36/185376536.db2.gz XXNOFZVKPOQORL-LBPRGKRZSA-N 1 0 310.398 0.995 50 0 DCAARO CN(C[C@H](O)CN1CC[NH+](C)CC1)C(=O)Nc1ccccc1F ZINC000078871522 185121153 /nfs/dbraw/zinc/12/11/53/185121153.db2.gz CJZSYTSABKEZQT-ZDUSSCGKSA-N 1 0 324.400 0.898 50 0 DCAARO C[C@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1[NH+](C)C ZINC000078895198 185124395 /nfs/dbraw/zinc/12/43/95/185124395.db2.gz INMFFPWDAWAABO-GXSJLCMTSA-N 1 0 306.391 0.778 50 0 DCAARO C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@@H]1[NH+](C)C ZINC000078896465 185124855 /nfs/dbraw/zinc/12/48/55/185124855.db2.gz JQOSDVFQIFTQME-NEPJUHHUSA-N 1 0 302.440 0.752 50 0 DCAARO O=C(NC[C@@H]1CCOC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000328590053 231234587 /nfs/dbraw/zinc/23/45/87/231234587.db2.gz OCEAWUUCKCYZGG-ZDUSSCGKSA-N 1 0 309.410 0.226 50 0 DCAARO Cc1noc(C)c1CCC(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082097140 192355254 /nfs/dbraw/zinc/35/52/54/192355254.db2.gz XDMUNALERGGWOF-UHFFFAOYSA-N 1 0 303.366 0.840 50 0 DCAARO CN(CC[N@H+](C)C1CC1)C(=O)CCN1C(=O)CCNC1=S ZINC000408517186 529901948 /nfs/dbraw/zinc/90/19/48/529901948.db2.gz BQPNQIFLYOCYMK-UHFFFAOYSA-N 1 0 312.439 0.036 50 0 DCAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000071145021 190936731 /nfs/dbraw/zinc/93/67/31/190936731.db2.gz GWLOFKLYXOGTIB-SECBINFHSA-N 1 0 312.420 0.921 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cnn2ccccc12 ZINC000071278667 190951138 /nfs/dbraw/zinc/95/11/38/190951138.db2.gz FGAPTRRPVSEIEP-FZMZJTMJSA-N 1 0 315.377 0.401 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000133648495 186003688 /nfs/dbraw/zinc/00/36/88/186003688.db2.gz ZWUXUJJNFARQDR-CYBMUJFWSA-N 1 0 316.405 0.941 50 0 DCAARO O=C(NCCN1CCOCC1)c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000072137300 191047017 /nfs/dbraw/zinc/04/70/17/191047017.db2.gz DIJGIHSPGXQTTC-MRXNPFEDSA-N 1 0 303.406 0.826 50 0 DCAARO Cn1cnnc1[C@H]1CCCN(Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072119535 191038866 /nfs/dbraw/zinc/03/88/66/191038866.db2.gz SDSLUHQCZRDFBL-ZDUSSCGKSA-N 1 0 315.425 0.885 50 0 DCAARO O=C(NCCO)c1cc(N2CCC([NH+]3CCCC3)CC2)ccn1 ZINC000072121115 191040846 /nfs/dbraw/zinc/04/08/46/191040846.db2.gz NLYMNKNRWYAWRJ-UHFFFAOYSA-N 1 0 318.421 0.868 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000072128055 191043938 /nfs/dbraw/zinc/04/39/38/191043938.db2.gz NPKHCZMLXMXWIL-INIZCTEOSA-N 1 0 306.362 0.483 50 0 DCAARO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000072134458 191045806 /nfs/dbraw/zinc/04/58/06/191045806.db2.gz SGGILNCCWHVJRB-INIZCTEOSA-N 1 0 310.394 0.995 50 0 DCAARO O=C(NC[C@@]1(O)CC[NH2+]C1)c1cccc(Cn2cccn2)c1 ZINC000072135577 191046891 /nfs/dbraw/zinc/04/68/91/191046891.db2.gz CFOXLNABRANULU-MRXNPFEDSA-N 1 0 300.362 0.386 50 0 DCAARO CN1CCc2n[nH]c(C(=O)N3CCC[C@H]([NH+](C)C)CC3)c2C1 ZINC000072148087 191054668 /nfs/dbraw/zinc/05/46/68/191054668.db2.gz PZBRAGHENZBSMC-LBPRGKRZSA-N 1 0 305.426 0.954 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)Nc1cccc(N2CCOC2=O)c1 ZINC000072152311 191057039 /nfs/dbraw/zinc/05/70/39/191057039.db2.gz WOAFPVPUXXMMII-LBPRGKRZSA-N 1 0 305.334 0.960 50 0 DCAARO O=C(CCn1cnnc1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072151985 191057255 /nfs/dbraw/zinc/05/72/55/191057255.db2.gz NZZXHHYBVISWGE-AWEZNQCLSA-N 1 0 307.398 0.116 50 0 DCAARO COCC[C@@H](CO)NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000225585097 186280382 /nfs/dbraw/zinc/28/03/82/186280382.db2.gz YFQDUVWOVLNMGY-QWHCGFSZSA-N 1 0 301.431 0.803 50 0 DCAARO COCC[NH2+]C[C@H](O)c1cccc(NC(=O)C(=O)NC(C)C)c1 ZINC000072446994 191169426 /nfs/dbraw/zinc/16/94/26/191169426.db2.gz BQMHRJYDCKSYGL-AWEZNQCLSA-N 1 0 323.393 0.419 50 0 DCAARO O=c1[nH]c(CC2CC2)nc2c1CCN(C[C@@]1(O)CCC[NH2+]C1)C2 ZINC000072475047 191176842 /nfs/dbraw/zinc/17/68/42/191176842.db2.gz VZXQWSBXNGPUMY-QGZVFWFLSA-N 1 0 318.421 0.195 50 0 DCAARO CCOC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccccc1 ZINC000001540610 180872714 /nfs/dbraw/zinc/87/27/14/180872714.db2.gz YQDHCCVUYCIGSW-LBPRGKRZSA-N 1 0 306.366 0.611 50 0 biogenic,in-vitro DCAARO O=S(=O)(NCC[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000004216602 181085653 /nfs/dbraw/zinc/08/56/53/181085653.db2.gz YXPRJPDDJIPPDL-UHFFFAOYSA-N 1 0 312.391 0.832 50 0 DCAARO CCc1nc(CN2CCN(C(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)no1 ZINC000237051658 202136750 /nfs/dbraw/zinc/13/67/50/202136750.db2.gz FKKWOOYZBBIDNL-RYUDHWBXSA-N 1 0 307.398 0.404 50 0 DCAARO C[NH2+]CCNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000237141519 202165541 /nfs/dbraw/zinc/16/55/41/202165541.db2.gz TXGOJKNLHHZJRT-UHFFFAOYSA-N 1 0 306.771 0.624 50 0 DCAARO CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000237398450 202254376 /nfs/dbraw/zinc/25/43/76/202254376.db2.gz INCHAXCUFFXMOX-STQMWFEESA-N 1 0 311.407 0.227 50 0 DCAARO Cc1nnc(CN(C)CC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])n1C ZINC000156866532 237056141 /nfs/dbraw/zinc/05/61/41/237056141.db2.gz RPFAUGLAEOCWPD-YPMHNXCESA-N 1 0 308.430 0.141 50 0 DCAARO O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1C[NH2+]CCO1 ZINC000187726065 200150246 /nfs/dbraw/zinc/15/02/46/200150246.db2.gz UHZWQLMZJSWGSV-DGCLKSJQSA-N 1 0 323.780 0.550 50 0 DCAARO O=C(NC[C@@H]1CCCC[C@@H]1O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000262309441 238172534 /nfs/dbraw/zinc/17/25/34/238172534.db2.gz PMTHKGPGHDMIAF-FZMZJTMJSA-N 1 0 307.398 0.484 50 0 DCAARO C[NH+]1CCN(CCNS(=O)(=O)CCc2cccs2)CC1 ZINC000195411716 201386686 /nfs/dbraw/zinc/38/66/86/201386686.db2.gz DULCVDVPUGQDAP-UHFFFAOYSA-N 1 0 317.480 0.457 50 0 DCAARO CC(C)c1noc(CCNC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000091409838 193052205 /nfs/dbraw/zinc/05/22/05/193052205.db2.gz QAHSEWUPDNDUOZ-LLVKDONJSA-N 1 0 323.397 0.049 50 0 DCAARO COCCn1cnnc1CN(C)c1nc(N)[nH+]c2c1CCCC2 ZINC000091409938 193052605 /nfs/dbraw/zinc/05/26/05/193052605.db2.gz ZUBWGQBFIXXSAA-UHFFFAOYSA-N 1 0 317.397 0.812 50 0 DCAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2cnc(C3CC3)nc2)C1 ZINC000091445175 193056655 /nfs/dbraw/zinc/05/66/55/193056655.db2.gz LYCFBWWSZJFHAI-CHWSQXEVSA-N 1 0 318.421 0.986 50 0 DCAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c(C)n1C ZINC000091691091 193091079 /nfs/dbraw/zinc/09/10/79/193091079.db2.gz VCMVLJDKTNNJAX-HUUCEWRRSA-N 1 0 323.437 0.247 50 0 DCAARO C[N@@H+]1CCN(C(=O)c2ccncc2)C[C@]12CCNC(=O)CC2 ZINC000091952017 193131693 /nfs/dbraw/zinc/13/16/93/193131693.db2.gz OWVPSEJGXSTRJQ-INIZCTEOSA-N 1 0 302.378 0.508 50 0 DCAARO CN(C[C@H](O)C[N@@H+]1CC[C@@H](CCO)C1)C(=O)OC(C)(C)C ZINC000496829876 241260890 /nfs/dbraw/zinc/26/08/90/241260890.db2.gz BBMFBHBBRYWSRG-STQMWFEESA-N 1 0 302.415 0.919 50 0 DCAARO O=C(NC[C@@]1(O)CCC[NH2+]CC1)c1cc2ccccc2[nH]c1=O ZINC000072126348 283987237 /nfs/dbraw/zinc/98/72/37/283987237.db2.gz ZVUZAQDRWAUJBJ-QGZVFWFLSA-N 1 0 315.373 0.763 50 0 DCAARO CC(C)c1nnsc1CNC(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000252479549 202836319 /nfs/dbraw/zinc/83/63/19/202836319.db2.gz BHJQPOBBYRUCFF-LLVKDONJSA-N 1 0 311.455 0.914 50 0 DCAARO COc1cccc(OC)c1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000019361272 182119054 /nfs/dbraw/zinc/11/90/54/182119054.db2.gz ITCQMBXERFBNNJ-CYBMUJFWSA-N 1 0 310.394 0.691 50 0 DCAARO CN1CC[NH+](C[C@@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019771155 182145569 /nfs/dbraw/zinc/14/55/69/182145569.db2.gz UMKHHVFLPHOCOC-CABCVRRESA-N 1 0 322.405 0.451 50 0 DCAARO Cn1c2ccc(C[NH2+]CCCN3CCOCC3)cc2n(C)c1=O ZINC000020059857 182184553 /nfs/dbraw/zinc/18/45/53/182184553.db2.gz SOQAEBMCSAKTQA-UHFFFAOYSA-N 1 0 318.421 0.689 50 0 DCAARO COC(=O)CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000020532084 182227483 /nfs/dbraw/zinc/22/74/83/182227483.db2.gz UGUAHVICOVJXEZ-UHFFFAOYSA-N 1 0 313.398 0.303 50 0 DCAARO CCC(NCC[NH+]1CCCCC1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000020842194 182248564 /nfs/dbraw/zinc/24/85/64/182248564.db2.gz VMAYBPYAOPWODD-UHFFFAOYSA-N 1 0 322.409 0.776 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccon2)CC1 ZINC000023127342 182349495 /nfs/dbraw/zinc/34/94/95/182349495.db2.gz GXOXSNNYDYXSTA-UHFFFAOYSA-N 1 0 310.354 0.088 50 0 DCAARO Cn1c2ncn(CC[C@@H]3CCCC[N@@H+]3C)c2c(=O)n(C)c1=O ZINC000040466706 183072803 /nfs/dbraw/zinc/07/28/03/183072803.db2.gz VSCVNZSTVXBDLT-NSHDSACASA-N 1 0 305.382 0.308 50 0 DCAARO CSCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000040467179 183072939 /nfs/dbraw/zinc/07/29/39/183072939.db2.gz GSNQLWAUGUDPRE-AWEZNQCLSA-N 1 0 308.451 0.806 50 0 DCAARO Cc1cc(C)n2nc(C(=O)NC[C@@H](C)[NH+]3CCCC3)nc2n1 ZINC000040540842 183097735 /nfs/dbraw/zinc/09/77/35/183097735.db2.gz KZOUNSTWFJLCGU-GFCCVEGCSA-N 1 0 302.382 0.955 50 0 DCAARO O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000040855954 183143283 /nfs/dbraw/zinc/14/32/83/183143283.db2.gz OVIRACXPWNSNHH-ZJUUUORDSA-N 1 0 304.268 0.924 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)[NH+](C)C)o1 ZINC000042017621 183229339 /nfs/dbraw/zinc/22/93/39/183229339.db2.gz CCXJKRPIZLGAPP-UHFFFAOYSA-N 1 0 303.384 0.258 50 0 DCAARO O=C(C[N@H+]1CCC[C@H]1CO)NC[C@@H]1COc2ccccc2O1 ZINC000106772544 194251010 /nfs/dbraw/zinc/25/10/10/194251010.db2.gz BSYDPSFPONLUCZ-QWHCGFSZSA-N 1 0 306.362 0.399 50 0 DCAARO CC[NH+]1CCN(CCCNC(=O)c2cccnc2OC)CC1 ZINC000058370301 184109753 /nfs/dbraw/zinc/10/97/53/184109753.db2.gz MQJWBLXLHTXIKR-UHFFFAOYSA-N 1 0 306.410 0.848 50 0 DCAARO NC(=O)[C@@H]1CC[N@H+](CC(=O)NCCCCc2ccccc2)C1 ZINC000065553235 184365759 /nfs/dbraw/zinc/36/57/59/184365759.db2.gz XBNOYNMJBQVJEU-OAHLLOKOSA-N 1 0 303.406 0.933 50 0 DCAARO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1(CO)CCOCC1 ZINC000157599268 197201069 /nfs/dbraw/zinc/20/10/69/197201069.db2.gz UZDUPWLAMKIJLG-AWEZNQCLSA-N 1 0 313.442 0.949 50 0 DCAARO C[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000299738585 533217289 /nfs/dbraw/zinc/21/72/89/533217289.db2.gz CJVZUMHXCINPMU-WDEREUQCSA-N 1 0 314.382 0.795 50 0 DCAARO Cc1cc(N)n(CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000222566343 257274396 /nfs/dbraw/zinc/27/43/96/257274396.db2.gz WGPLLJBPYNSMKT-CQSZACIVSA-N 1 0 321.425 0.533 50 0 DCAARO COc1cccc(OC)c1CNC(=O)NC[C@]1(O)CCC[NH2+]C1 ZINC000426677901 257244478 /nfs/dbraw/zinc/24/44/78/257244478.db2.gz XRRGQIYPISQFDY-INIZCTEOSA-N 1 0 323.393 0.618 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)N(C)CCn1ccnc1 ZINC000426698150 257244718 /nfs/dbraw/zinc/24/47/18/257244718.db2.gz BZKJQINILSXGIZ-UHFFFAOYSA-N 1 0 302.382 0.762 50 0 DCAARO Cn1c(SCCS(C)(=O)=O)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426621570 257245304 /nfs/dbraw/zinc/24/53/04/257245304.db2.gz GTSRZKFWUVCCJY-SECBINFHSA-N 1 0 304.441 0.419 50 0 DCAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCCc1ncc[nH]1 ZINC000426531076 257247426 /nfs/dbraw/zinc/24/74/26/257247426.db2.gz XEBIUVGLTUBBSH-ZDUSSCGKSA-N 1 0 316.409 0.822 50 0 DCAARO c1nc(N2CCCCC2)ncc1CN1C[C@@H]2[NH2+]CCO[C@H]2C1 ZINC000426503001 257248663 /nfs/dbraw/zinc/24/86/63/257248663.db2.gz NTCPMIXZACIART-GJZGRUSLSA-N 1 0 303.410 0.640 50 0 DCAARO COCC[N@@H+]1CCC[C@H](C(=O)NCc2cnc3cnccn23)C1 ZINC000426477362 257249432 /nfs/dbraw/zinc/24/94/32/257249432.db2.gz JGVVWQDZIZMFLZ-ZDUSSCGKSA-N 1 0 317.393 0.704 50 0 DCAARO Cc1nncn1CCSc1nnc([C@@H]2CCC[NH2+]C2)n1C ZINC000426487577 257249505 /nfs/dbraw/zinc/24/95/05/257249505.db2.gz SSYXRZDSMLDPRA-LLVKDONJSA-N 1 0 307.427 0.974 50 0 DCAARO COC(=O)C(C)(C)NC(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426431373 257250277 /nfs/dbraw/zinc/25/02/77/257250277.db2.gz RVOJSDNUFYEEIB-LLVKDONJSA-N 1 0 308.382 0.418 50 0 DCAARO [NH3+]CCOc1ccc(F)cc1C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000426419938 257251423 /nfs/dbraw/zinc/25/14/23/257251423.db2.gz HNXPWGWVEBAWDR-LLVKDONJSA-N 1 0 323.324 0.440 50 0 DCAARO O=C(NCc1ccc(C(F)(F)F)cc1F)N[C@@H]1C[NH2+]C[C@H]1O ZINC000426399173 257251911 /nfs/dbraw/zinc/25/19/11/257251911.db2.gz HBNBFOGKMURLOO-GHMZBOCLSA-N 1 0 321.274 0.976 50 0 DCAARO O=C(NCCOc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276685772 130534716 /nfs/dbraw/zinc/53/47/16/130534716.db2.gz UMHZOZDNFMCJOF-ZYHUDNBSSA-N 1 0 318.295 0.923 50 0 DCAARO CC[NH+](CC)CCNC(=O)CN1C(=O)COc2ccccc21 ZINC000004707668 134464000 /nfs/dbraw/zinc/46/40/00/134464000.db2.gz VWMUHCOVZFLNOJ-UHFFFAOYSA-N 1 0 305.378 0.870 50 0 DCAARO CC[NH+](CC)CCNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000008596046 395684793 /nfs/dbraw/zinc/68/47/93/395684793.db2.gz MUYIVQXCZFAKMI-UHFFFAOYSA-N 1 0 306.366 0.907 50 0 DCAARO COC(=O)c1sccc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000013723124 395688993 /nfs/dbraw/zinc/68/89/93/395688993.db2.gz FKUFRSWXLWDXKE-UHFFFAOYSA-N 1 0 313.379 0.541 50 0 DCAARO CC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)[nH+]2)CC1 ZINC000021793758 395691559 /nfs/dbraw/zinc/69/15/59/395691559.db2.gz VSRNQFWKLUKORJ-UHFFFAOYSA-N 1 0 305.382 0.290 50 0 DCAARO C[NH2+]Cc1cn(C2CCN(C(=O)Cn3ccc(C)n3)CC2)nn1 ZINC000023214906 395692306 /nfs/dbraw/zinc/69/23/06/395692306.db2.gz OJWYMQCRUBNUBL-UHFFFAOYSA-N 1 0 317.397 0.366 50 0 DCAARO CCOc1ccc(C[NH2+]CCNC(=O)c2nonc2N)cc1 ZINC000002181787 395681432 /nfs/dbraw/zinc/68/14/32/395681432.db2.gz ZCLZVMXJBDELRH-UHFFFAOYSA-N 1 0 305.338 0.570 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002852441 395681921 /nfs/dbraw/zinc/68/19/21/395681921.db2.gz ZAMQWHXEYDTEBC-LBPRGKRZSA-N 1 0 319.361 0.954 50 0 DCAARO CC[C@H](CO)[NH2+]C[C@H](O)COCc1ccc(OC)c(OC)c1 ZINC000006949340 395683173 /nfs/dbraw/zinc/68/31/73/395683173.db2.gz WKVXFLZYMPZSLW-KGLIPLIRSA-N 1 0 313.394 0.942 50 0 DCAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)cc1 ZINC000089632316 395713811 /nfs/dbraw/zinc/71/38/11/395713811.db2.gz ZKDPJBBPJKGGPY-OAHLLOKOSA-N 1 0 316.405 0.711 50 0 DCAARO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+]1CCc2ccccc2C1 ZINC000089900768 395716477 /nfs/dbraw/zinc/71/64/77/395716477.db2.gz SNQYFXBZOBDZBN-LBPRGKRZSA-N 1 0 300.366 0.236 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000089930504 395717192 /nfs/dbraw/zinc/71/71/92/395717192.db2.gz WCCWTWTVZRPQAJ-OLZOCXBDSA-N 1 0 308.382 0.014 50 0 DCAARO Cn1cnc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1Cl ZINC000035186386 395719330 /nfs/dbraw/zinc/71/93/30/395719330.db2.gz LZMODVFSGFMXMM-UHFFFAOYSA-N 1 0 308.835 0.940 50 0 DCAARO FC(F)(F)c1nc(-c2ccnc(N3CC[NH2+]CC3)n2)no1 ZINC000036533769 395723379 /nfs/dbraw/zinc/72/33/79/395723379.db2.gz CDXQQSRTUIOVTI-UHFFFAOYSA-N 1 0 300.244 0.955 50 0 DCAARO Cn1cnc(S(=O)(=O)NCCC[NH+]2CCCC2)c1Cl ZINC000037984105 395729969 /nfs/dbraw/zinc/72/99/69/395729969.db2.gz LNTRGJMBSIOTRR-UHFFFAOYSA-N 1 0 306.819 0.838 50 0 DCAARO C[NH+]1CCN(CCNC(=O)/C=C\c2ccc3c(c2)CCO3)CC1 ZINC000096157843 395746588 /nfs/dbraw/zinc/74/65/88/395746588.db2.gz UPZQEBNYFOBEBS-HYXAFXHYSA-N 1 0 315.417 0.998 50 0 DCAARO Cc1nn(CC(=O)NCc2cc3n(n2)CC[NH2+]C3)c(C)c1C ZINC000096141417 395746144 /nfs/dbraw/zinc/74/61/44/395746144.db2.gz ITEQNNUWNJYWPT-UHFFFAOYSA-N 1 0 302.382 0.424 50 0 DCAARO C[C@]1(O)CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C[C@@H]1O ZINC000096148769 395746271 /nfs/dbraw/zinc/74/62/71/395746271.db2.gz HXHHBVXTNQVOKG-HOCLYGCPSA-N 1 0 308.378 0.833 50 0 DCAARO NC(=O)c1ccnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000096429483 395753209 /nfs/dbraw/zinc/75/32/09/395753209.db2.gz ISTRPHWXJJVNMW-CYBMUJFWSA-N 1 0 304.394 0.729 50 0 DCAARO CC(C)[NH+]1CCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000045429320 395762969 /nfs/dbraw/zinc/76/29/69/395762969.db2.gz OTNDJNPHDOWBKI-UHFFFAOYSA-N 1 0 306.391 0.922 50 0 DCAARO C[C@H]1CCC[N@H+](CCNC(=O)NCCNc2cnccn2)C1 ZINC000046382410 395776238 /nfs/dbraw/zinc/77/62/38/395776238.db2.gz ABDFTQCYCVMHLW-ZDUSSCGKSA-N 1 0 306.414 0.920 50 0 DCAARO CN1C[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1=O ZINC000048483398 395816526 /nfs/dbraw/zinc/81/65/26/395816526.db2.gz BIIPTWKEPNSSBM-AWEZNQCLSA-N 1 0 309.410 0.036 50 0 DCAARO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCn1cccn1 ZINC000195571543 395832339 /nfs/dbraw/zinc/83/23/39/395832339.db2.gz VTRZUAGQGCJQHS-ZDUSSCGKSA-N 1 0 309.414 0.370 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccnc2)CC1 ZINC000049509236 395832483 /nfs/dbraw/zinc/83/24/83/395832483.db2.gz HBNQDEHXMWZALX-UHFFFAOYSA-N 1 0 320.393 0.495 50 0 DCAARO CCOCCn1nc(C)cc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000221204824 395850432 /nfs/dbraw/zinc/85/04/32/395850432.db2.gz RGWVKUOEQVPFKS-AWEZNQCLSA-N 1 0 323.441 0.204 50 0 DCAARO CN(CCCN1CCOCC1)c1cc([C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000223798621 395856376 /nfs/dbraw/zinc/85/63/76/395856376.db2.gz ASHLACLDALZEFG-OKILXGFUSA-N 1 0 305.426 0.840 50 0 DCAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCNC(=O)C1 ZINC000122652018 395888213 /nfs/dbraw/zinc/88/82/13/395888213.db2.gz QCTLYGYVBDZCLB-OAHLLOKOSA-N 1 0 316.405 0.792 50 0 DCAARO CC(=O)N1CCC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000052310462 395862760 /nfs/dbraw/zinc/86/27/60/395862760.db2.gz HRFCEPVJABAXLC-UHFFFAOYSA-N 1 0 310.398 0.261 50 0 DCAARO CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CCO1 ZINC000229478733 395874730 /nfs/dbraw/zinc/87/47/30/395874730.db2.gz ZUHQHHIITZRSGN-HUUCEWRRSA-N 1 0 321.425 0.628 50 0 DCAARO NC(=O)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000057174194 395940295 /nfs/dbraw/zinc/94/02/95/395940295.db2.gz AVWGNDJOFLKKSK-LSDHHAIUSA-N 1 0 301.390 0.985 50 0 DCAARO NC(=O)NC(=O)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000137081840 395950301 /nfs/dbraw/zinc/95/03/01/395950301.db2.gz JIHFZIDPEQVCMW-LLVKDONJSA-N 1 0 310.398 0.342 50 0 DCAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000247766008 395978805 /nfs/dbraw/zinc/97/88/05/395978805.db2.gz KRSKZRVPBPTOCK-HRCADAONSA-N 1 0 309.410 0.904 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCOCC1 ZINC000247974284 395980270 /nfs/dbraw/zinc/98/02/70/395980270.db2.gz ZEPJAFJQOOIMOY-VNQPRFMTSA-N 1 0 323.437 0.709 50 0 DCAARO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000252527979 396022680 /nfs/dbraw/zinc/02/26/80/396022680.db2.gz DWMPVCWBPDJXJF-WXHSDQCUSA-N 1 0 301.770 0.426 50 0 DCAARO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)C(=O)N1CCCC1 ZINC000252666054 396023811 /nfs/dbraw/zinc/02/38/11/396023811.db2.gz AIXSNROCOPGPJS-FRRDWIJNSA-N 1 0 317.455 0.257 50 0 DCAARO CCOC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)c1C ZINC000067743872 396032464 /nfs/dbraw/zinc/03/24/64/396032464.db2.gz WIGGKOSSMCSMKI-NEPJUHHUSA-N 1 0 323.393 0.603 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cn1nc(C)c(CC)c1C ZINC000067947752 396039675 /nfs/dbraw/zinc/03/96/75/396039675.db2.gz NEOLZFODEAWRHK-JSGCOSHPSA-N 1 0 321.425 0.127 50 0 DCAARO CC(C)NC(=O)C[NH2+][C@@H](C)Cn1cnc2ccccc2c1=O ZINC000067954890 396040496 /nfs/dbraw/zinc/04/04/96/396040496.db2.gz PIYFUPTVBRQKED-LBPRGKRZSA-N 1 0 302.378 0.899 50 0 DCAARO CC[NH2+]CC1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000250175362 396013924 /nfs/dbraw/zinc/01/39/24/396013924.db2.gz KCJBAYNIOPKLPJ-OLZOCXBDSA-N 1 0 319.471 0.662 50 0 DCAARO CN(Cc1ccsc1)C(=O)C[NH2+][C@H]1CCc2ncnn2C1 ZINC000069894525 396093650 /nfs/dbraw/zinc/09/36/50/396093650.db2.gz ZHLJVQGVOBERDU-LBPRGKRZSA-N 1 0 305.407 0.903 50 0 DCAARO O[C@H](C[NH2+][C@@H]1CCc2ncnn2C1)COCc1ccccc1 ZINC000069875305 396093688 /nfs/dbraw/zinc/09/36/88/396093688.db2.gz UIGORRLNQJHNBJ-HUUCEWRRSA-N 1 0 302.378 0.760 50 0 DCAARO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000170070819 396094379 /nfs/dbraw/zinc/09/43/79/396094379.db2.gz XJRMVLXPXKAMND-GWCFXTLKSA-N 1 0 303.366 0.883 50 0 DCAARO CN1CC[C@H](C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000170598776 396094921 /nfs/dbraw/zinc/09/49/21/396094921.db2.gz FRHFRCDIFCYIMT-HNNXBMFYSA-N 1 0 323.437 0.426 50 0 DCAARO O[C@H](C[NH2+][C@H]1CCc2ncnn2C1)COCc1cccs1 ZINC000069928606 396095125 /nfs/dbraw/zinc/09/51/25/396095125.db2.gz BRSIPGVYOBQUHV-NWDGAFQWSA-N 1 0 308.407 0.822 50 0 DCAARO CN(Cc1ccsc1)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000069972432 396097062 /nfs/dbraw/zinc/09/70/62/396097062.db2.gz PYDBPZGNEGOHLO-CQSZACIVSA-N 1 0 311.451 0.969 50 0 DCAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000071145019 396110089 /nfs/dbraw/zinc/11/00/89/396110089.db2.gz GWLOFKLYXOGTIB-VIFPVBQESA-N 1 0 312.420 0.921 50 0 DCAARO C[C@H]1C[N@@H+](C2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CCO1 ZINC000071821643 396116284 /nfs/dbraw/zinc/11/62/84/396116284.db2.gz FJUZAUCZIIWKRW-LBPRGKRZSA-N 1 0 322.409 0.306 50 0 DCAARO CC(C)[N@@H+]1CC[C@H](NCc2cnc(N3CCOCC3)nc2)C1 ZINC000071857579 396119599 /nfs/dbraw/zinc/11/95/99/396119599.db2.gz UVELYIHMRSHUMV-HNNXBMFYSA-N 1 0 305.426 0.886 50 0 DCAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)n1 ZINC000071876997 396121297 /nfs/dbraw/zinc/12/12/97/396121297.db2.gz GTBRSHRDAPJTIE-DLBZAZTESA-N 1 0 322.453 0.657 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000071877157 396121335 /nfs/dbraw/zinc/12/13/35/396121335.db2.gz ZVPQBHUFLXQWOG-ABAIWWIYSA-N 1 0 300.349 0.997 50 0 DCAARO Cc1cnn(CC[NH2+]CCOc2ccc(S(N)(=O)=O)cc2)c1 ZINC000072253107 396126933 /nfs/dbraw/zinc/12/69/33/396126933.db2.gz YAYMFNYHESWQJV-UHFFFAOYSA-N 1 0 324.406 0.508 50 0 DCAARO Cc1cccc(OCCNC(=O)C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000072267910 396128031 /nfs/dbraw/zinc/12/80/31/396128031.db2.gz YUQXGKKIJNGKLV-MRXNPFEDSA-N 1 0 321.421 0.410 50 0 DCAARO C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000072267904 396128105 /nfs/dbraw/zinc/12/81/05/396128105.db2.gz YTUCELNNIBBZSI-SWLSCSKDSA-N 1 0 309.385 0.923 50 0 DCAARO CN1CCO[C@H](C[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000072267852 396128237 /nfs/dbraw/zinc/12/82/37/396128237.db2.gz SPAXYPUKEAVQDT-ILXRZTDVSA-N 1 0 311.426 0.077 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072255166 396128319 /nfs/dbraw/zinc/12/83/19/396128319.db2.gz MGGUPPAMTZUNDQ-GFCCVEGCSA-N 1 0 300.428 0.871 50 0 DCAARO CC[C@H]([NH2+][C@@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C)C(N)=O ZINC000072300500 396130749 /nfs/dbraw/zinc/13/07/49/396130749.db2.gz UUMUJHAJBSECHI-SDDRHHMPSA-N 1 0 305.444 0.289 50 0 DCAARO C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000069374180 396076750 /nfs/dbraw/zinc/07/67/50/396076750.db2.gz SBOJXUHRGXPQFQ-WFASDCNBSA-N 1 0 323.418 0.998 50 0 DCAARO CN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1=O ZINC000069492633 396080568 /nfs/dbraw/zinc/08/05/68/396080568.db2.gz PGXGBZCABLBILR-CABCVRRESA-N 1 0 303.406 0.754 50 0 DCAARO COCC(=O)N[C@H]1C[C@@H](CO)[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000075403554 396180053 /nfs/dbraw/zinc/18/00/53/396180053.db2.gz NJAAGRARRLPEKW-KBPBESRZSA-N 1 0 317.389 0.866 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1[NH+](C)C ZINC000076050941 396194136 /nfs/dbraw/zinc/19/41/36/396194136.db2.gz HLVXECUUTVUYEA-JHJVBQTASA-N 1 0 317.455 0.067 50 0 DCAARO COc1ccccc1[C@H](O)CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000178419572 396195696 /nfs/dbraw/zinc/19/56/96/396195696.db2.gz NRCPUIUUWFLIPB-CYBMUJFWSA-N 1 0 308.378 0.613 50 0 DCAARO CC(C)[N@H+]1C[C@H](NS(=O)(=O)N(C)C2CCOCC2)[C@@H](C)C1 ZINC000078899191 396257117 /nfs/dbraw/zinc/25/71/17/396257117.db2.gz ZNPKSGCMQXNTCD-JSGCOSHPSA-N 1 0 319.471 0.660 50 0 DCAARO COc1cc(N2CCOC[C@](O)(C[NH+]3CCCC3)C2)ncn1 ZINC000077299889 396218268 /nfs/dbraw/zinc/21/82/68/396218268.db2.gz ZPTQRPVWIMGDGC-HNNXBMFYSA-N 1 0 308.382 0.149 50 0 DCAARO Cc1cc(N2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)cc[nH+]1 ZINC000077354822 396219293 /nfs/dbraw/zinc/21/92/93/396219293.db2.gz OCVBNYZBIRNBFA-AWEZNQCLSA-N 1 0 317.393 0.452 50 0 DCAARO CC(C)[N@H+](C)CC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077376328 396220090 /nfs/dbraw/zinc/22/00/90/396220090.db2.gz DKLVSJXMUCGMET-CYBMUJFWSA-N 1 0 321.425 0.063 50 0 DCAARO Cn1cc(CCC(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)cn1 ZINC000077408077 396221354 /nfs/dbraw/zinc/22/13/54/396221354.db2.gz BITREACFVLLNFB-QGZVFWFLSA-N 1 0 320.437 0.802 50 0 DCAARO Cc1cc(C)n(CC[N@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000084104728 396318662 /nfs/dbraw/zinc/31/86/62/396318662.db2.gz UTAWKGRNENGKHI-MRXNPFEDSA-N 1 0 319.409 0.905 50 0 DCAARO COc1cccc(CNC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c1 ZINC000190808211 396411590 /nfs/dbraw/zinc/41/15/90/396411590.db2.gz AFVUBKBRORSHBT-QWHCGFSZSA-N 1 0 310.394 0.375 50 0 DCAARO CN1CC[NH+](CC2CCN(C(=O)N[C@H]3CCOC3)CC2)CC1 ZINC000192200125 396430757 /nfs/dbraw/zinc/43/07/57/396430757.db2.gz SLHNJOHAXCMEJS-HNNXBMFYSA-N 1 0 310.442 0.444 50 0 DCAARO CC[NH+]1CCC2(CCCN(C(=O)CNC(=O)N(C)C)C2)CC1 ZINC000584885868 396632063 /nfs/dbraw/zinc/63/20/63/396632063.db2.gz LIRCYZHSGDCYEC-UHFFFAOYSA-N 1 0 310.442 0.982 50 0 DCAARO O=S(=O)(CC1CCCC1)NCCC[NH+]1CCC(O)CC1 ZINC000305204765 396739813 /nfs/dbraw/zinc/73/98/13/396739813.db2.gz MMHAGIKXLUPMGA-UHFFFAOYSA-N 1 0 304.456 0.943 50 0 DCAARO O=S(=O)(C[C@H]1C[NH2+]CCO1)N(Cc1ccccc1)C1CC1 ZINC000383665033 397278888 /nfs/dbraw/zinc/27/88/88/397278888.db2.gz RPNUTRGXYDFNRE-OAHLLOKOSA-N 1 0 310.419 0.969 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(CN2CCOCC2)c1 ZINC000125854453 158259268 /nfs/dbraw/zinc/25/92/68/158259268.db2.gz YXRVSMJGSNDHSL-AWEZNQCLSA-N 1 0 303.406 0.953 50 0 DCAARO CCOC(=O)[C@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000026898126 415170908 /nfs/dbraw/zinc/17/09/08/415170908.db2.gz LZGWVFHDPJDBQA-NSHDSACASA-N 1 0 311.382 0.592 50 0 DCAARO O=C(CCn1cccn1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000044911267 415232745 /nfs/dbraw/zinc/23/27/45/415232745.db2.gz VRFNGFQHMHECAO-HNNXBMFYSA-N 1 0 306.410 0.987 50 0 DCAARO C[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)n1cncn1 ZINC000044953613 415237465 /nfs/dbraw/zinc/23/74/65/415237465.db2.gz DLQFHUKFCSAQOU-ZDUSSCGKSA-N 1 0 307.398 0.410 50 0 DCAARO O=C(NCc1ccccc1Cn1cccn1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269208130 415247655 /nfs/dbraw/zinc/24/76/55/415247655.db2.gz NOYSKTZBTDMORG-LSDHHAIUSA-N 1 0 300.362 0.270 50 0 DCAARO Cc1cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)nc(N)[nH+]1 ZINC000045725681 415251288 /nfs/dbraw/zinc/25/12/88/415251288.db2.gz CJKXHAFFBWBXBI-LBPRGKRZSA-N 1 0 305.382 0.442 50 0 DCAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000046034424 415254625 /nfs/dbraw/zinc/25/46/25/415254625.db2.gz CEMRXSLSNCIACQ-LBPRGKRZSA-N 1 0 300.428 0.820 50 0 DCAARO C[NH+]1CCN(c2cc(CNC(=O)Nc3cn[nH]c3)ccn2)CC1 ZINC000048286391 415288553 /nfs/dbraw/zinc/28/85/53/415288553.db2.gz UFXZTIMRRDKYRC-UHFFFAOYSA-N 1 0 315.381 0.878 50 0 DCAARO COc1ccc2cc(CN3CCN(C(N)=O)CC3)c(=O)[nH]c2c1 ZINC000067934918 415391259 /nfs/dbraw/zinc/39/12/59/415391259.db2.gz YXFBZWAUIOBFBG-UHFFFAOYSA-N 1 0 316.361 0.733 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(OC)cc1O ZINC000067649536 415380722 /nfs/dbraw/zinc/38/07/22/415380722.db2.gz ACDGRPFCCZSAFQ-SKDRFNHKSA-N 1 0 307.350 0.079 50 0 DCAARO [NH3+]C1(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)CC1 ZINC000067689225 415383744 /nfs/dbraw/zinc/38/37/44/415383744.db2.gz PAMJTYXNUCSKPU-NWDGAFQWSA-N 1 0 304.346 0.583 50 0 DCAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCc2nc(N)cc(=O)[nH]2)C1 ZINC000095383920 415557529 /nfs/dbraw/zinc/55/75/29/415557529.db2.gz AWFYXJZYODGEDU-HNNXBMFYSA-N 1 0 307.398 0.133 50 0 DCAARO CC(C)CN1CCO[C@@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000096491548 415579855 /nfs/dbraw/zinc/57/98/55/415579855.db2.gz IQMCKIMIHKLMBS-KGLIPLIRSA-N 1 0 304.456 0.510 50 0 DCAARO Cc1n[nH]cc1C[NH2+]CCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000097159638 415584940 /nfs/dbraw/zinc/58/49/40/415584940.db2.gz MBBPVIRWNRITHD-PHIMTYICSA-N 1 0 316.427 0.247 50 0 DCAARO CNc1ncc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cn1 ZINC000097785059 415590177 /nfs/dbraw/zinc/59/01/77/415590177.db2.gz HYENCUFGLCKCQR-ZDUSSCGKSA-N 1 0 307.398 0.701 50 0 DCAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000107573320 415666294 /nfs/dbraw/zinc/66/62/94/415666294.db2.gz YXQXCMVCSGFHPF-XQQFMLRXSA-N 1 0 317.455 0.451 50 0 DCAARO COC[C@H](O)C[N@@H+]1CC[C@H](N(C)Cc2noc(C3CC3)n2)C1 ZINC000108087690 415676374 /nfs/dbraw/zinc/67/63/74/415676374.db2.gz XIISANZGPUGSJR-QWHCGFSZSA-N 1 0 310.398 0.460 50 0 DCAARO CSCC[C@@H]([NH3+])C(=O)N1CCN(c2nccs2)CC1 ZINC000130790919 415923559 /nfs/dbraw/zinc/92/35/59/415923559.db2.gz PDNXWUYPXFFTLZ-SNVBAGLBSA-N 1 0 300.453 0.872 50 0 DCAARO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000150744364 415962365 /nfs/dbraw/zinc/96/23/65/415962365.db2.gz YMMWTUOWGRKBIQ-SNPRPXQTSA-N 1 0 301.390 0.943 50 0 DCAARO O=C(NCCCn1ccnn1)C1CC[NH+](C2CCOCC2)CC1 ZINC000299757156 416063938 /nfs/dbraw/zinc/06/39/38/416063938.db2.gz NHCUDJMBGJUQMS-UHFFFAOYSA-N 1 0 321.425 0.675 50 0 DCAARO COc1ccc(C(=O)NCCc2nnc3n2CC[NH2+]CC3)cc1 ZINC000299793451 416068981 /nfs/dbraw/zinc/06/89/81/416068981.db2.gz HAWGYFZSALUZQL-UHFFFAOYSA-N 1 0 315.377 0.405 50 0 DCAARO Cc1cc(N2CCN(C(=O)C3CCOCC3)CC2)nc(N)[nH+]1 ZINC000299790008 416070153 /nfs/dbraw/zinc/07/01/53/416070153.db2.gz ALTNZGXUPXOMPA-UHFFFAOYSA-N 1 0 305.382 0.442 50 0 DCAARO Cc1c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cnn1C ZINC000319651438 416119438 /nfs/dbraw/zinc/11/94/38/416119438.db2.gz OSVOBUWGODCWIN-UONOGXRCSA-N 1 0 320.418 0.762 50 0 DCAARO CN(C(=O)c1ccc(-n2cnnn2)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000179073398 416181663 /nfs/dbraw/zinc/18/16/63/416181663.db2.gz SDFUZYPBPCKNMU-SNVBAGLBSA-N 1 0 306.757 0.750 50 0 DCAARO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238000638 416329655 /nfs/dbraw/zinc/32/96/55/416329655.db2.gz ZDUUSKXYNVJILK-FXAINCCUSA-N 1 0 319.188 0.866 50 0 DCAARO CN1CC[C@H]([N@H+](C)CCC(=O)NCCn2cc(Cl)cn2)C1 ZINC000244659787 416330818 /nfs/dbraw/zinc/33/08/18/416330818.db2.gz HIQRPIRSWRCPHY-ZDUSSCGKSA-N 1 0 313.833 0.679 50 0 DCAARO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585116194 416517989 /nfs/dbraw/zinc/51/79/89/416517989.db2.gz KTRCZNVLWYEIQB-MNOVXSKESA-N 1 0 307.398 0.859 50 0 DCAARO COCc1nc(NCC2CC[NH2+]CC2)cc([C@H]2CCOC2)n1 ZINC000426698485 416781530 /nfs/dbraw/zinc/78/15/30/416781530.db2.gz VESPWRKPINCHKL-ZDUSSCGKSA-N 1 0 306.410 1.538 50 0 DCAARO O=C(NCCOc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299752528 229396048 /nfs/dbraw/zinc/39/60/48/229396048.db2.gz UMHZOZDNFMCJOF-PWSUYJOCSA-N 1 0 318.295 0.923 50 0 DCAARO O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000299753274 229398150 /nfs/dbraw/zinc/39/81/50/229398150.db2.gz XORNBRHWVNNRCF-HUUCEWRRSA-N 1 0 300.362 0.270 50 0 DCAARO O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299753272 229398575 /nfs/dbraw/zinc/39/85/75/229398575.db2.gz XORNBRHWVNNRCF-CABCVRRESA-N 1 0 300.362 0.270 50 0 DCAARO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000240407424 533684805 /nfs/dbraw/zinc/68/48/05/533684805.db2.gz FMCSATAFCSYAIG-RDBSUJKOSA-N 1 0 319.471 0.662 50 0 DCAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+]CCNS(C)(=O)=O ZINC000065496900 278091973 /nfs/dbraw/zinc/09/19/73/278091973.db2.gz SPXXWTXTXVLTOR-UHFFFAOYSA-N 1 0 317.459 0.248 50 0 DCAARO CS(=O)(=O)C1(C(=O)N2Cc3ccccc3C2)CC[NH2+]CC1 ZINC000262531007 278103800 /nfs/dbraw/zinc/10/38/00/278103800.db2.gz MBJMFRAHKYJJFW-UHFFFAOYSA-N 1 0 308.403 0.696 50 0 DCAARO CC(C)(C[NH+](CCO)CCO)NS(=O)(=O)c1ccccc1 ZINC000003179619 278609621 /nfs/dbraw/zinc/60/96/21/278609621.db2.gz CYVICLMYNZPEBA-UHFFFAOYSA-N 1 0 316.423 0.030 50 0 DCAARO Cn1cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000237803222 279346145 /nfs/dbraw/zinc/34/61/45/279346145.db2.gz AMUBYZSYLSTEOI-VIFPVBQESA-N 1 0 306.819 0.742 50 0 DCAARO O=C(Cc1nc2cc(Cl)ccc2[nH]1)NC[C@H]1C[NH2+]CCO1 ZINC000534575954 334287536 /nfs/dbraw/zinc/28/75/36/334287536.db2.gz HOFCMJCZOZGJDQ-SNVBAGLBSA-N 1 0 308.769 0.863 50 0 DCAARO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCC(OC)CC2)C1 ZINC000534583479 334290076 /nfs/dbraw/zinc/29/00/76/334290076.db2.gz GQNBSECGAWUTNR-GFCCVEGCSA-N 1 0 305.444 0.416 50 0 DCAARO Cn1cc(C(=O)NC(C)(C)C[NH+]2CCCCCC2)c(=O)[nH]c1=O ZINC000534588333 334293179 /nfs/dbraw/zinc/29/31/79/334293179.db2.gz CPPVZOJKPGSTJW-UHFFFAOYSA-N 1 0 322.409 0.870 50 0 DCAARO Cn1c(SCc2nc(C(N)=O)no2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000534646472 334306312 /nfs/dbraw/zinc/30/63/12/334306312.db2.gz IGQRWTVAYCVGGN-SSDOTTSWSA-N 1 0 323.382 0.056 50 0 DCAARO CN1CC[NH+](CC2(CNc3ccc(C(N)=O)cn3)CC2)CC1 ZINC000534655937 334313656 /nfs/dbraw/zinc/31/36/56/334313656.db2.gz FGQCWTFZMZTBGI-UHFFFAOYSA-N 1 0 303.410 0.620 50 0 DCAARO COc1cc(C(=O)NCC[C@H](C)[NH+]2CCN(C)CC2)ccn1 ZINC000534657583 334314745 /nfs/dbraw/zinc/31/47/45/334314745.db2.gz NZYGYHOVCLMBSC-ZDUSSCGKSA-N 1 0 306.410 0.846 50 0 DCAARO CN1CCN(CC(=O)N2CCCC3(CC[NH2+]CC3)CC2)C1=O ZINC000534649256 334316822 /nfs/dbraw/zinc/31/68/22/334316822.db2.gz KGDASCQLFQRCTK-UHFFFAOYSA-N 1 0 308.426 0.736 50 0 DCAARO C[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)n1ccnc1 ZINC000534666147 334318928 /nfs/dbraw/zinc/31/89/28/334318928.db2.gz ABARPDKBHYQIQL-CQSZACIVSA-N 1 0 321.425 0.950 50 0 DCAARO [NH3+]CCn1cc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)nn1 ZINC000576242090 341835959 /nfs/dbraw/zinc/83/59/59/341835959.db2.gz OKLZEUHPWIHITG-CYBMUJFWSA-N 1 0 307.398 0.801 50 0 DCAARO C[C@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)C[C@H](C)[NH2+]1 ZINC000299738992 533893865 /nfs/dbraw/zinc/89/38/65/533893865.db2.gz JILVLAXRUWFQJQ-RYUDHWBXSA-N 1 0 300.366 0.544 50 0 DCAARO CN(Cc1nnc(C2CC2)o1)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC000083867877 545698301 /nfs/dbraw/zinc/69/83/01/545698301.db2.gz LRSWAKKTTCPJPD-CYBMUJFWSA-N 1 0 317.397 0.745 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000084286721 545700495 /nfs/dbraw/zinc/70/04/95/545700495.db2.gz VWIVQZBCUUJMHO-IUODEOHRSA-N 1 0 321.425 0.753 50 0 DCAARO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000084281253 545700853 /nfs/dbraw/zinc/70/08/53/545700853.db2.gz RSXAIZOUDYEFPN-AWEZNQCLSA-N 1 0 318.381 0.698 50 0 DCAARO CCCS(=O)(=O)NC[C@H](C)[NH2+]CCn1cnc(C)c1C ZINC000670436990 547089343 /nfs/dbraw/zinc/08/93/43/547089343.db2.gz DOEVTSJCSFYIGF-NSHDSACASA-N 1 0 302.444 0.807 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CN(C)S(=O)(=O)N2CCCCC2)C1 ZINC000670469547 547099973 /nfs/dbraw/zinc/09/99/73/547099973.db2.gz CPYJGWMVULOYCT-AWEZNQCLSA-N 1 0 319.471 0.617 50 0 DCAARO Cc1cccc(NC[C@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@H]2O)[nH+]1 ZINC000685941503 548746847 /nfs/dbraw/zinc/74/68/47/548746847.db2.gz XZDPDUBPBYVPEM-YNEHKIRRSA-N 1 0 317.393 0.789 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CN1CCC(c2nnc(CO)n2C)CC1 ZINC000244602090 660602390 /nfs/dbraw/zinc/60/23/90/660602390.db2.gz DXJKMDHYEVGKGO-AWEZNQCLSA-N 1 0 307.442 0.971 50 0 DCAARO Cn1ccnc1[C@H](O)C1CC[NH+](CCn2cc[nH]c2=O)CC1 ZINC000252508527 660646855 /nfs/dbraw/zinc/64/68/55/660646855.db2.gz XOQIXFTUYDFYLK-CYBMUJFWSA-N 1 0 305.382 0.356 50 0 DCAARO O[C@H]1C[N@H+](Cc2cccc3nonc32)C[C@@H]1N1CCOCC1 ZINC000023373740 658780425 /nfs/dbraw/zinc/78/04/25/658780425.db2.gz HUAGVCGJOPPGGL-KBPBESRZSA-N 1 0 304.350 0.100 50 0 DCAARO Cc1nccn1CCNC(=O)N1CCOC[C@H](C[NH+](C)C)C1 ZINC000426382809 661560567 /nfs/dbraw/zinc/56/05/67/661560567.db2.gz SDIYFKFKWZMHOC-CQSZACIVSA-N 1 0 309.414 0.411 50 0 DCAARO O=C(NCc1ncc[nH]1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000426613702 661662896 /nfs/dbraw/zinc/66/28/96/661662896.db2.gz YRRKICLGJPMROE-ZDUSSCGKSA-N 1 0 307.398 0.540 50 0 DCAARO CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](CCO)C(C)C)C1 ZINC000863948151 667196793 /nfs/dbraw/zinc/19/67/93/667196793.db2.gz MMHHEDXSLHXQRD-KGLIPLIRSA-N 1 0 314.426 0.785 50 0 DCAARO [NH3+]CC1(O)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000397017386 685272896 /nfs/dbraw/zinc/27/28/96/685272896.db2.gz PXYMIWLTKHVYJM-UHFFFAOYSA-N 1 0 315.351 0.069 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CCCO3)CC2)C1 ZINC000952967859 685598693 /nfs/dbraw/zinc/59/86/93/685598693.db2.gz MLZRNYQLMCAIOD-CYBMUJFWSA-N 1 0 309.410 0.355 50 0 DCAARO Cc1cc(N)n(CC(=O)N2CC[N@H+](CC3CC3)[C@H](CCO)C2)n1 ZINC000952982585 685601830 /nfs/dbraw/zinc/60/18/30/685601830.db2.gz BEPNEGZYTGOASP-CQSZACIVSA-N 1 0 321.425 0.079 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CN(C)S(=O)(=O)N(C)C(C)C)C1 ZINC000952986474 685601889 /nfs/dbraw/zinc/60/18/89/685601889.db2.gz YGZLNBDJOLZCGA-ZDUSSCGKSA-N 1 0 307.460 0.472 50 0 DCAARO OCCC[C@@H]1CN(c2ncccn2)CC[C@@H]1[NH+]1CCOCC1 ZINC000092097123 685106565 /nfs/dbraw/zinc/10/65/65/685106565.db2.gz RLUHYUAIVRIFJS-CABCVRRESA-N 1 0 306.410 0.776 50 0 DCAARO CC(C)[C@H](CNC(=O)c1cnc(C(N)=O)cn1)[NH+]1CCCC1 ZINC001772702160 1157840676 /nfs/dbraw/zinc/84/06/76/1157840676.db2.gz PVGSKRPLDFJPLI-ZDUSSCGKSA-N 1 0 305.382 0.426 50 0 DCAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)c1cnc(C(N)=O)cn1 ZINC001772711045 1157848409 /nfs/dbraw/zinc/84/84/09/1157848409.db2.gz YFOOLZFSANERCU-UHFFFAOYSA-N 1 0 319.409 0.960 50 0 DCAARO C[C@@]1(NC(=O)c2ccncc2F)CCOC2(CC[NH2+]CC2)[C@H]1O ZINC001704296976 1179964530 /nfs/dbraw/zinc/96/45/30/1179964530.db2.gz AUGXQSIRGIACPX-LSDHHAIUSA-N 1 0 323.368 0.613 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1n[nH]c3ccccc31)C2 ZINC001704303079 1179966171 /nfs/dbraw/zinc/96/61/71/1179966171.db2.gz ISZYWTRLXCQGFH-RYUDHWBXSA-N 1 0 300.362 0.966 50 0 DCAARO Cc1cc(C[C@@H]2C[N@H+](Cc3cc(=O)[nH]c(C)n3)C[C@@H]2O)[nH]n1 ZINC001704344212 1179979832 /nfs/dbraw/zinc/97/98/32/1179979832.db2.gz RGMMUYCMQFMPBA-RISCZKNCSA-N 1 0 303.366 0.558 50 0 DCAARO Cc1cccc(C(=O)N[C@]2(C)CCOC3(CC[NH2+]CC3)[C@H]2O)n1 ZINC001704342842 1179980769 /nfs/dbraw/zinc/98/07/69/1179980769.db2.gz QUWYVHJHUJJLOY-JKSUJKDBSA-N 1 0 319.405 0.782 50 0 DCAARO C[C@H](CN1CCOCC1)[NH2+]Cc1nnc(-c2ccncc2)[nH]1 ZINC000821285742 758169131 /nfs/dbraw/zinc/16/91/31/758169131.db2.gz ZBOPINUJKBJTCM-GFCCVEGCSA-N 1 0 302.382 0.677 50 0 DCAARO CCn1cnnc1[C@@H](C)NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000823592578 758252896 /nfs/dbraw/zinc/25/28/96/758252896.db2.gz QNJZUODSZMMYEE-FRRDWIJNSA-N 1 0 309.414 0.975 50 0 DCAARO C[N@@H+]1CCC[C@H](Nc2cncc(C(=O)N3CCOCC3)n2)C1 ZINC000823771497 758267146 /nfs/dbraw/zinc/26/71/46/758267146.db2.gz WRJQHUXMLLUWJK-LBPRGKRZSA-N 1 0 305.382 0.455 50 0 DCAARO COC[C@H]1CCCN1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000824371102 758772039 /nfs/dbraw/zinc/77/20/39/758772039.db2.gz YDENPOCLAPUSQO-CQSZACIVSA-N 1 0 319.471 0.664 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CN(C)S(=O)(=O)N2CCCC2)C1 ZINC000824412483 758773483 /nfs/dbraw/zinc/77/34/83/758773483.db2.gz XJJBNFJOFRMAQJ-ZDUSSCGKSA-N 1 0 305.444 0.227 50 0 DCAARO COc1ncc(CN2CCC(O)(C[NH+]3CCCC3)CC2)cn1 ZINC000824852081 758790578 /nfs/dbraw/zinc/79/05/78/758790578.db2.gz PUGIPINHGZFLMA-UHFFFAOYSA-N 1 0 306.410 0.908 50 0 DCAARO CC(=O)N1CCN(C(=O)C2([NH+]3CCCC3)CCCC2)C[C@H](O)C1 ZINC000828637912 759040566 /nfs/dbraw/zinc/04/05/66/759040566.db2.gz QCPFNWSHQKKXGO-OAHLLOKOSA-N 1 0 323.437 0.447 50 0 DCAARO Cc1cc(NCCc2noc(CO)n2)nc(N2CCCC2)[nH+]1 ZINC000828840485 759111597 /nfs/dbraw/zinc/11/15/97/759111597.db2.gz DHWJANJLCQQUPU-UHFFFAOYSA-N 1 0 304.354 0.915 50 0 DCAARO O=c1ccc(C2CC2)nn1CC1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000585505344 768083004 /nfs/dbraw/zinc/08/30/04/768083004.db2.gz PAVQVQSGRLDRRH-JKSUJKDBSA-N 1 0 319.405 0.592 50 0 DCAARO O=C(CNC(=O)c1ccc(F)cc1)N1CC([NH+]2CCCC2)C1 ZINC000585131484 766292876 /nfs/dbraw/zinc/29/28/76/766292876.db2.gz XGLXIYWQJUTXOS-UHFFFAOYSA-N 1 0 305.353 0.862 50 0 DCAARO Cc1c[nH]c(C[NH+]2CCC3(CC2)CN([C@H](C)C(N)=O)CCO3)n1 ZINC000952868525 768924461 /nfs/dbraw/zinc/92/44/61/768924461.db2.gz AYBNPRKZMHAHDG-CYBMUJFWSA-N 1 0 321.425 0.259 50 0 DCAARO Cc1cnc(C[N@H+]2CCC[C@@H](c3nnc(CO)n3C)C2)cn1 ZINC001529142486 1014505235 /nfs/dbraw/zinc/50/52/35/1014505235.db2.gz OZAKJPUHIOQDSE-GFCCVEGCSA-N 1 0 302.382 0.785 50 0 DCAARO Cc1nc[nH]c1C(=O)N1CCC[N@H+](C[C@@H]2COCCO2)CC1 ZINC001529185129 1014514768 /nfs/dbraw/zinc/51/47/68/1014514768.db2.gz KKMGMBFSKQCGQE-CYBMUJFWSA-N 1 0 308.382 0.281 50 0 DCAARO CCCN1C(=O)N[C@H](CC(=O)N2CCC[N@@H+](C(C)C)CC2)C1=O ZINC001506403566 1017256273 /nfs/dbraw/zinc/25/62/73/1017256273.db2.gz UKHYNRUHZCNHEV-CYBMUJFWSA-N 1 0 324.425 0.650 50 0 DCAARO CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001506411558 1017261168 /nfs/dbraw/zinc/26/11/68/1017261168.db2.gz ZHIGBZLMLGFJKD-ZDUSSCGKSA-N 1 0 313.467 0.928 50 0 DCAARO COCCN1C[C@H](CNc2cc(N)[nH+]c(SC)n2)CC1=O ZINC001506426450 1017269962 /nfs/dbraw/zinc/26/99/62/1017269962.db2.gz HCGZDCSVRPDUBX-VIFPVBQESA-N 1 0 311.411 0.688 50 0 DCAARO C[NH+](C)CCN1C[C@@H](C(=O)N2CC(c3cccnc3)C2)CC1=O ZINC000095499249 185374854 /nfs/dbraw/zinc/37/48/54/185374854.db2.gz PKYFWBNEPRFOHY-AWEZNQCLSA-N 1 0 316.405 0.418 50 0 DCAARO O=C1OC2(CN1Cc1noc([C@H]3CCCO3)n1)CC[NH2+]CC2 ZINC000095502123 185374958 /nfs/dbraw/zinc/37/49/58/185374958.db2.gz ZXVRCDIAOZLZEV-SNVBAGLBSA-N 1 0 308.338 0.996 50 0 DCAARO CC[NH+]1CCC(CC(=O)NCCc2cc(=O)[nH]c(C)n2)CC1 ZINC000095505733 185375251 /nfs/dbraw/zinc/37/52/51/185375251.db2.gz RLPNHAYPQULMKM-UHFFFAOYSA-N 1 0 306.410 0.859 50 0 DCAARO CCn1cc(CC[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cn1 ZINC000328591167 231234070 /nfs/dbraw/zinc/23/40/70/231234070.db2.gz KSLMZZJGQWHLKS-AWEZNQCLSA-N 1 0 314.455 0.849 50 0 DCAARO CCCc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)n(C)n1 ZINC000082120542 192357306 /nfs/dbraw/zinc/35/73/06/192357306.db2.gz BLSZZCMOHJZUIF-LBPRGKRZSA-N 1 0 321.425 0.300 50 0 DCAARO Cn1cc([C@H](CO)Nc2cc(-n3cccn3)nc(N)[nH+]2)cn1 ZINC000092925523 185349680 /nfs/dbraw/zinc/34/96/80/185349680.db2.gz IECQIUSRWBSQLW-JTQLQIEISA-N 1 0 300.326 0.124 50 0 DCAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N2CCNC2=O)n1 ZINC000069919416 190837792 /nfs/dbraw/zinc/83/77/92/190837792.db2.gz JYIVVRSMLPPPJN-CYBMUJFWSA-N 1 0 305.382 0.516 50 0 DCAARO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000069951651 190843146 /nfs/dbraw/zinc/84/31/46/190843146.db2.gz KRUALKYMSVWOBP-RISCZKNCSA-N 1 0 318.377 0.933 50 0 DCAARO Cc1ccc2[nH]c(CNC(=O)[C@@H](C)NC3=[NH+]CCN3)nc2c1C ZINC000071681308 191007804 /nfs/dbraw/zinc/00/78/04/191007804.db2.gz QIYUPPVRRTZQQM-LLVKDONJSA-N 1 0 314.393 0.733 50 0 DCAARO CCc1cc(Cn2ncc(N3CC[C@H](C[NH3+])C3)cc2=O)on1 ZINC000072161489 191062567 /nfs/dbraw/zinc/06/25/67/191062567.db2.gz KWGHFSHWDGSHEN-LLVKDONJSA-N 1 0 303.366 0.627 50 0 DCAARO c1csc(N2CCN(Cc3cc4n(n3)CC[NH2+]C4)CC2)n1 ZINC000072173674 191069342 /nfs/dbraw/zinc/06/93/42/191069342.db2.gz OPOATCFKWUYDEG-UHFFFAOYSA-N 1 0 304.423 0.765 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCN(CCCOc2ccc(C(N)=O)cc2)C1 ZINC000072174069 191070023 /nfs/dbraw/zinc/07/00/23/191070023.db2.gz SOEHSPLFROKIGR-KRWDZBQOSA-N 1 0 321.421 0.553 50 0 DCAARO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2cscn2)CC1=O ZINC000073475405 191318863 /nfs/dbraw/zinc/31/88/63/191318863.db2.gz WUALWJPXIGEKRP-NSHDSACASA-N 1 0 310.423 0.212 50 0 DCAARO CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000081051944 192220185 /nfs/dbraw/zinc/22/01/85/192220185.db2.gz VXQUKHVMWUABGQ-GFCCVEGCSA-N 1 0 323.315 0.706 50 0 DCAARO C[C@@H](CC(=O)N1CC[C@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000237339521 202236792 /nfs/dbraw/zinc/23/67/92/202236792.db2.gz UIZWKWKSRWSBJX-JQWIXIFHSA-N 1 0 314.382 0.938 50 0 DCAARO O=C(CCc1cn[nH]c1)N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244633566 283799857 /nfs/dbraw/zinc/79/98/57/283799857.db2.gz GFCSXMOZQUQZBH-IIAWOOMASA-N 1 0 306.410 0.598 50 0 DCAARO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cn(C)nc1C ZINC000420454795 240034518 /nfs/dbraw/zinc/03/45/18/240034518.db2.gz MYKREMOOSYBRNM-UHFFFAOYSA-N 1 0 300.428 0.881 50 0 DCAARO Nc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)[nH]n1 ZINC000091364745 193046092 /nfs/dbraw/zinc/04/60/92/193046092.db2.gz ZWSLHEZJQMCXKP-CHWSQXEVSA-N 1 0 321.425 0.548 50 0 DCAARO CC[N@H+](CCO)C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1CO ZINC000091391136 193049395 /nfs/dbraw/zinc/04/93/95/193049395.db2.gz GPIQKJSOALGWNI-HZPDHXFCSA-N 1 0 321.421 0.005 50 0 DCAARO Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](C(C)C)C1 ZINC000091518585 193068305 /nfs/dbraw/zinc/06/83/05/193068305.db2.gz HCXSHPFFCTYAJG-ZJUUUORDSA-N 1 0 320.846 0.986 50 0 DCAARO CCn1c(Cn2ccnc2C)nnc1C1CCN(CC[NH3+])CC1 ZINC000091536374 193070376 /nfs/dbraw/zinc/07/03/76/193070376.db2.gz WCOPDCJCHZEFLG-UHFFFAOYSA-N 1 0 317.441 0.989 50 0 DCAARO CCc1nnc(N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)s1 ZINC000091475120 193061548 /nfs/dbraw/zinc/06/15/48/193061548.db2.gz XQYIOASNQGSJEB-GHMZBOCLSA-N 1 0 300.428 0.069 50 0 DCAARO CC(C)c1noc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091503775 193066267 /nfs/dbraw/zinc/06/62/67/193066267.db2.gz NHVPSQYAVASWRA-MRXNPFEDSA-N 1 0 322.409 1.000 50 0 DCAARO CC(C)c1nccc(C(=O)N2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)n1 ZINC000091644259 193083782 /nfs/dbraw/zinc/08/37/82/193083782.db2.gz YCFCILICLXSVCU-LRDDRELGSA-N 1 0 304.394 0.787 50 0 DCAARO O=C(c1ccc(=O)[nH]c1)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091694506 193092671 /nfs/dbraw/zinc/09/26/71/193092671.db2.gz MNOZPZJMAUVBPK-ZIAGYGMSSA-N 1 0 305.378 0.151 50 0 DCAARO CCn1ncnc1CN1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091621500 193080489 /nfs/dbraw/zinc/08/04/89/193080489.db2.gz IMRAZXSTYJBAPP-HNNXBMFYSA-N 1 0 306.414 0.084 50 0 DCAARO COc1ncccc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091636252 193082315 /nfs/dbraw/zinc/08/23/15/193082315.db2.gz CZOKBYLVUWGFPJ-ZIAGYGMSSA-N 1 0 319.405 0.867 50 0 DCAARO CNC(=O)c1cc(NC(=O)N[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000097301306 193706300 /nfs/dbraw/zinc/70/63/00/193706300.db2.gz DSVGDDVWBWLGBK-LLVKDONJSA-N 1 0 306.366 0.928 50 0 DCAARO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000017306054 182082354 /nfs/dbraw/zinc/08/23/54/182082354.db2.gz NHGHYWIQDBBMTI-NSHDSACASA-N 1 0 316.365 0.716 50 0 DCAARO CCC[NH+]1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000023477127 182361670 /nfs/dbraw/zinc/36/16/70/182361670.db2.gz FBUXFQWGEZCYCH-UHFFFAOYSA-N 1 0 304.394 0.752 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)nc1 ZINC000040288022 183051841 /nfs/dbraw/zinc/05/18/41/183051841.db2.gz ZWYFSRZZCZGNGF-LBPRGKRZSA-N 1 0 306.366 0.629 50 0 DCAARO NC(=O)C1CC[NH+](CCCCNC(=O)NCC(F)(F)F)CC1 ZINC000046763303 183568062 /nfs/dbraw/zinc/56/80/62/183568062.db2.gz PVCQUSAYGSYSBJ-UHFFFAOYSA-N 1 0 324.347 0.825 50 0 DCAARO O=C(c1ccnc(-n2cncn2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000057356232 184036316 /nfs/dbraw/zinc/03/63/16/184036316.db2.gz HOLRBABPKMEXHZ-UHFFFAOYSA-N 1 0 312.377 0.830 50 0 DCAARO COc1ccc(CCNC(=[NH2+])NCC(=O)N2CCCC2)cc1 ZINC000057752248 184051425 /nfs/dbraw/zinc/05/14/25/184051425.db2.gz XYTPKRRSJGFYRM-UHFFFAOYSA-N 1 0 304.394 0.974 50 0 DCAARO Cc1nc(C)c(CC(=O)N2CCN3CC[N@@H+](C)C[C@@H]3C2)s1 ZINC000065372040 184330215 /nfs/dbraw/zinc/33/02/15/184330215.db2.gz DHIFFOKYGMGXTA-CYBMUJFWSA-N 1 0 308.451 0.761 50 0 DCAARO C[N@@H+]1C[C@H](NC(=O)CN2CCOc3ccccc3C2)C[C@H]1CO ZINC000065405535 184338144 /nfs/dbraw/zinc/33/81/44/184338144.db2.gz MVKHZAHAANXOSO-CABCVRRESA-N 1 0 319.405 0.062 50 0 DCAARO CC1(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)C[NH2+]C1 ZINC000333344824 252709176 /nfs/dbraw/zinc/70/91/76/252709176.db2.gz YYOFTVDCTJDJEF-UHFFFAOYSA-N 1 0 323.343 0.859 50 0 DCAARO COc1ccc(C[N@H+](C)C[C@H](O)CO)cc1Cn1cccn1 ZINC000216507300 257273213 /nfs/dbraw/zinc/27/32/13/257273213.db2.gz PGCPDXOHJHXGCX-HNNXBMFYSA-N 1 0 305.378 0.725 50 0 DCAARO O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1CCCC[NH2+]1 ZINC000238023525 257237552 /nfs/dbraw/zinc/23/75/52/257237552.db2.gz GOVMAHLGLGKQRC-GFCCVEGCSA-N 1 0 322.409 0.499 50 0 DCAARO Cc1oc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1S(N)(=O)=O ZINC000237523537 257238667 /nfs/dbraw/zinc/23/86/67/257238667.db2.gz HUOSDJBTZYAZHO-PSASIEDQSA-N 1 0 315.395 0.435 50 0 DCAARO COCCOc1ccc(Cl)cc1S(=O)(=O)NC1C[NH2+]C1 ZINC000237110717 257239371 /nfs/dbraw/zinc/23/93/71/257239371.db2.gz ZTQKVYSMDDOCHM-UHFFFAOYSA-N 1 0 320.798 0.615 50 0 DCAARO Cc1cc(CNC(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)no1 ZINC000426588799 257246025 /nfs/dbraw/zinc/24/60/25/257246025.db2.gz BTRGCBAGOWFPLK-LBPRGKRZSA-N 1 0 303.366 0.963 50 0 DCAARO COc1ccc(OCCC[NH3+])c(C(=O)NCc2nc[nH]n2)c1 ZINC000426604207 257246045 /nfs/dbraw/zinc/24/60/45/257246045.db2.gz BVJLQGCNTLRBFG-UHFFFAOYSA-N 1 0 305.338 0.471 50 0 DCAARO COc1ccc(C(=O)NCCc2cn[nH]n2)cc1OCC[NH3+] ZINC000426581055 257246408 /nfs/dbraw/zinc/24/64/08/257246408.db2.gz WQNLAVVLLGYIDA-UHFFFAOYSA-N 1 0 305.338 0.123 50 0 DCAARO COc1ccc(NC(=O)N2CCO[C@@H](CC[NH3+])C2)cc1C(N)=O ZINC000426478144 257249059 /nfs/dbraw/zinc/24/90/59/257249059.db2.gz ZWRBERLVUZXWSI-NSHDSACASA-N 1 0 322.365 0.376 50 0 DCAARO CC(=O)N1CCN(C(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)CC1 ZINC000426371201 257253217 /nfs/dbraw/zinc/25/32/17/257253217.db2.gz RPPDGGAJMUVTEQ-AWEZNQCLSA-N 1 0 319.409 0.041 50 0 DCAARO CC(C)C[C@@H](CNC(=O)[C@H](C)n1cncn1)N1CCOCC1 ZINC000045236567 257269991 /nfs/dbraw/zinc/26/99/91/257269991.db2.gz BTXNTSMGEKCPLT-KBPBESRZSA-N 1 0 309.414 0.702 50 0 DCAARO CN1CCO[C@@H](C[NH2+]Cc2ccccc2N2CCOCC2)C1 ZINC000069653654 184831752 /nfs/dbraw/zinc/83/17/52/184831752.db2.gz YOKFEGOJAJTDGY-INIZCTEOSA-N 1 0 305.422 0.943 50 0 DCAARO Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NCCC[NH+](C)C ZINC000011635230 395686721 /nfs/dbraw/zinc/68/67/21/395686721.db2.gz ICOWVEONAXXUSS-UHFFFAOYSA-N 1 0 312.395 0.395 50 0 DCAARO CC[NH+](CC)CC(=O)NCc1cccnc1N1CCOCC1 ZINC000012075961 395687017 /nfs/dbraw/zinc/68/70/17/395687017.db2.gz AAZGUFZVPLGFPT-UHFFFAOYSA-N 1 0 306.410 0.876 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2nonc21 ZINC000013690786 395688796 /nfs/dbraw/zinc/68/87/96/395688796.db2.gz WCYJRFGPPSTHIM-JTQLQIEISA-N 1 0 317.349 0.762 50 0 DCAARO OCC[NH+](CCO)C[C@H](O)COc1cccc2ccccc21 ZINC000001564223 395681034 /nfs/dbraw/zinc/68/10/34/395681034.db2.gz TYFJDFBCOQPBHQ-HNNXBMFYSA-N 1 0 305.374 0.866 50 0 DCAARO CCc1nc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)no1 ZINC000089290013 395709762 /nfs/dbraw/zinc/70/97/62/395709762.db2.gz JSFJQVMVZMBNGN-GFCCVEGCSA-N 1 0 307.398 0.546 50 0 DCAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]CCCS(C)(=O)=O)CC2 ZINC000089893733 395715778 /nfs/dbraw/zinc/71/57/78/395715778.db2.gz GUTWKGUWYMPERQ-LLVKDONJSA-N 1 0 300.428 0.741 50 0 DCAARO C[NH+](C)CCCNC(=O)c1nnn2c1[nH]c(=O)c1ccccc12 ZINC000033435954 395717032 /nfs/dbraw/zinc/71/70/32/395717032.db2.gz SYLFIWCDNHOZDK-UHFFFAOYSA-N 1 0 314.349 0.665 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3ncc[nH]3)C[C@H]2C)CC1 ZINC000089937264 395717166 /nfs/dbraw/zinc/71/71/66/395717166.db2.gz DNCHFYDQPFATCK-HIFRSBDPSA-N 1 0 305.426 0.784 50 0 DCAARO C[NH+](C)C(C)(C)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000036397705 395723392 /nfs/dbraw/zinc/72/33/92/395723392.db2.gz OBIJAIMCQPCLST-UHFFFAOYSA-N 1 0 314.411 0.796 50 0 DCAARO C[C@H](CCc1cccn1C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000096440120 395753168 /nfs/dbraw/zinc/75/31/68/395753168.db2.gz WYNPVGHFEOUGQP-GDBMZVCRSA-N 1 0 321.469 0.891 50 0 DCAARO C[C@H]1CN(S(=O)(=O)CC[NH2+]Cc2cc[nH]c2)C[C@H](C)O1 ZINC000096454140 395753776 /nfs/dbraw/zinc/75/37/76/395753776.db2.gz VFVIVKGEYUUTHM-RYUDHWBXSA-N 1 0 301.412 0.543 50 0 DCAARO C[C@H](CC(=O)NCC(C)(C)S(C)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC000096476278 395753947 /nfs/dbraw/zinc/75/39/47/395753947.db2.gz ACPOMFUHWRKEMR-NEPJUHHUSA-N 1 0 304.456 0.952 50 0 DCAARO O=C(CC[NH+]1CCN(Cc2cccnc2)CC1)N1CCOCC1 ZINC000096485788 395753973 /nfs/dbraw/zinc/75/39/73/395753973.db2.gz KQDFOYIBCLPDFG-UHFFFAOYSA-N 1 0 318.421 0.448 50 0 DCAARO CN1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1c1ccc(F)c(F)c1 ZINC000108460748 395789858 /nfs/dbraw/zinc/78/98/58/395789858.db2.gz YJZSPVYSNXJXGG-GXTWGEPZSA-N 1 0 322.319 0.513 50 0 DCAARO [NH3+]C[C@@]1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1 ZINC000108225329 395787039 /nfs/dbraw/zinc/78/70/39/395787039.db2.gz SQRDUVDHLWKTEA-PEGIJTEDSA-N 1 0 306.284 0.940 50 0 biogenic,in-vitro DCAARO O[C@@H]1CN(CCN2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000108402080 395788595 /nfs/dbraw/zinc/78/85/95/395788595.db2.gz WUXUALHWKFMQCU-GOSISDBHSA-N 1 0 319.449 0.497 50 0 DCAARO C[NH+](C)CCNc1c(=O)c(=O)c1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000101690214 395766787 /nfs/dbraw/zinc/76/67/87/395766787.db2.gz WKLKDVNDPOWOQS-UHFFFAOYSA-N 1 0 322.453 0.977 50 0 DCAARO CNC(=O)CN1CCC([NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000048353668 395813952 /nfs/dbraw/zinc/81/39/52/395813952.db2.gz OTFCFNDSVKVAMX-UHFFFAOYSA-N 1 0 319.405 0.758 50 0 DCAARO Cc1nc(N)ncc1C(=O)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000218976716 395843438 /nfs/dbraw/zinc/84/34/38/395843438.db2.gz WFHQXRLRUFDJQV-ZDUSSCGKSA-N 1 0 319.409 0.286 50 0 DCAARO CN(CC(=O)NC[C@@H]1C[N@H+](C)CCN1C)Cc1ccccc1F ZINC000219566744 395846350 /nfs/dbraw/zinc/84/63/50/395846350.db2.gz BMVXFLLDLSQANM-OAHLLOKOSA-N 1 0 322.428 0.620 50 0 DCAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(CO)o1)C2 ZINC000219914166 395847079 /nfs/dbraw/zinc/84/70/79/395847079.db2.gz OTXBBSPHYNOBRS-MRXNPFEDSA-N 1 0 320.393 0.579 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000225547124 395861514 /nfs/dbraw/zinc/86/15/14/395861514.db2.gz KYNWDASZMVEUST-HZSPNIEDSA-N 1 0 310.781 0.963 50 0 DCAARO CC(C)(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000236677866 395896280 /nfs/dbraw/zinc/89/62/80/395896280.db2.gz WNKDNXDXOCBPJK-STQMWFEESA-N 1 0 320.389 0.574 50 0 DCAARO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124377300 395900526 /nfs/dbraw/zinc/90/05/26/395900526.db2.gz QHHIGFZCVMHQQO-GFCCVEGCSA-N 1 0 314.430 0.121 50 0 DCAARO Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)sc2ncn(C)c(=O)c12 ZINC000124529280 395901061 /nfs/dbraw/zinc/90/10/61/395901061.db2.gz KCDMBAVNPCFUIE-MRVPVSSYSA-N 1 0 306.391 0.737 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCc2cccc3[nH]ccc32)C1 ZINC000055282811 395915246 /nfs/dbraw/zinc/91/52/46/395915246.db2.gz XETVMZBYBCBUPQ-ZDUSSCGKSA-N 1 0 314.389 0.981 50 0 DCAARO COCCn1cnnc1CCNc1cc([C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000244852796 395925017 /nfs/dbraw/zinc/92/50/17/395925017.db2.gz UZEQNLVECGLKJN-TXEJJXNPSA-N 1 0 317.397 0.574 50 0 DCAARO Cc1onc(C(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)c1CO ZINC000244852712 395925250 /nfs/dbraw/zinc/92/52/50/395925250.db2.gz UXHAHYWOMYTGHT-OBJOEFQTSA-N 1 0 323.393 0.344 50 0 DCAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1)C1CC1 ZINC000229312496 395874040 /nfs/dbraw/zinc/87/40/40/395874040.db2.gz MISFJFNXPIYAGY-KANYHAFZSA-N 1 0 322.409 0.211 50 0 DCAARO COCC[N@@H+]1CCC[C@H](CNC(=O)c2cnc(N)nc2C)C1 ZINC000230556133 395881556 /nfs/dbraw/zinc/88/15/56/395881556.db2.gz DOHMKJRWQYTACC-GFCCVEGCSA-N 1 0 307.398 0.455 50 0 DCAARO O[C@H](Cn1cccn1)CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000247802840 395978938 /nfs/dbraw/zinc/97/89/38/395978938.db2.gz WWBRNCNPONQIDQ-JKSUJKDBSA-N 1 0 308.426 0.431 50 0 DCAARO CCc1cc(N2CC[C@@H](NC(C)=O)C2)nc(N2CCOCC2)[nH+]1 ZINC000065387558 395993183 /nfs/dbraw/zinc/99/31/83/395993183.db2.gz VLXMHFNNAMFNJE-CQSZACIVSA-N 1 0 319.409 0.590 50 0 DCAARO CCc1cc(N(C)C[C@H]2COCCO2)nc(N2CCOCC2)[nH+]1 ZINC000065468421 395994031 /nfs/dbraw/zinc/99/40/31/395994031.db2.gz HLXVVTOXDWIQAW-AWEZNQCLSA-N 1 0 322.409 0.727 50 0 DCAARO CC(C)[N@H+](C)CCNC(=O)c1cccnc1N1CCOCC1 ZINC000065516466 395994603 /nfs/dbraw/zinc/99/46/03/395994603.db2.gz DKPYDCDFCZVYPE-UHFFFAOYSA-N 1 0 306.410 0.988 50 0 DCAARO Nc1nc(NCCCN2CCOCC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000252527896 396022525 /nfs/dbraw/zinc/02/25/25/396022525.db2.gz DPODQYHWVRWQKA-TXEJJXNPSA-N 1 0 306.414 0.398 50 0 DCAARO Cn1cc(C[C@@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)cn1 ZINC000252666095 396023799 /nfs/dbraw/zinc/02/37/99/396023799.db2.gz AMIZPUJHOSIBPB-DZGCQCFKSA-N 1 0 306.410 0.580 50 0 DCAARO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1CO ZINC000253414303 396028021 /nfs/dbraw/zinc/02/80/21/396028021.db2.gz XAJIXPUNHDYTNO-JKSUJKDBSA-N 1 0 306.406 0.859 50 0 DCAARO NC(=O)C(=O)NCC[C@H]1C[N@@H+](C2CCCCCCC2)CCO1 ZINC000067821817 396034953 /nfs/dbraw/zinc/03/49/53/396034953.db2.gz NOLAOPGBQCKDSQ-AWEZNQCLSA-N 1 0 311.426 0.792 50 0 DCAARO O=C(CO)NC[C@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000067909750 396038728 /nfs/dbraw/zinc/03/87/28/396038728.db2.gz XJOFIHUCRXFMSM-OAHLLOKOSA-N 1 0 314.389 0.803 50 0 DCAARO Cc1nnc(SCCCNC(=O)[C@@H]2C[C@H]([NH3+])CN2C)s1 ZINC000067947398 396039537 /nfs/dbraw/zinc/03/95/37/396039537.db2.gz SOONUOYCDBALBU-UWVGGRQHSA-N 1 0 315.468 0.476 50 0 DCAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)C[NH2+]CCO ZINC000067948096 396039605 /nfs/dbraw/zinc/03/96/05/396039605.db2.gz UTYZCMQYMMQLKG-HNNXBMFYSA-N 1 0 314.332 0.400 50 0 DCAARO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000257366052 396047047 /nfs/dbraw/zinc/04/70/47/396047047.db2.gz HQFVOSOXLBMAQP-MKBNYLNASA-N 1 0 324.425 0.553 50 0 DCAARO CC(C)c1nnsc1CNC(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000252479550 396020070 /nfs/dbraw/zinc/02/00/70/396020070.db2.gz BHJQPOBBYRUCFF-NSHDSACASA-N 1 0 311.455 0.914 50 0 DCAARO O[C@H](C[NH2+][C@H]1CCc2ncnn2C1)COc1ccc(F)cc1 ZINC000069876531 396093563 /nfs/dbraw/zinc/09/35/63/396093563.db2.gz UFJPMQIAPNNYMX-QWHCGFSZSA-N 1 0 306.341 0.762 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CCN2C(=O)CNC2=O)n1 ZINC000069949718 396096185 /nfs/dbraw/zinc/09/61/85/396096185.db2.gz WMHPMPVJBXNWPV-CYBMUJFWSA-N 1 0 320.397 0.301 50 0 DCAARO CCCC[N@H+](CCO)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000070947303 396107169 /nfs/dbraw/zinc/10/71/69/396107169.db2.gz GQDJVQRMXWKTEW-AWEZNQCLSA-N 1 0 314.426 0.883 50 0 DCAARO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H]([NH3+])C3)cc21 ZINC000071100242 396109288 /nfs/dbraw/zinc/10/92/88/396109288.db2.gz UCFDQEFDFDVNAW-LBPRGKRZSA-N 1 0 309.391 0.317 50 0 DCAARO COc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1OC ZINC000071397382 396113659 /nfs/dbraw/zinc/11/36/59/396113659.db2.gz WPVJDDMLRQYTPE-SNVBAGLBSA-N 1 0 300.380 0.734 50 0 DCAARO CC(=O)[C@@H]1[C@@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@H]2C=C[C@H]3C=CC=C[C@H]3[N@@H+]21 ZINC000071776049 396114656 /nfs/dbraw/zinc/11/46/56/396114656.db2.gz SAATWYPBUIMNRC-FAFCJFNWSA-N 1 0 313.353 0.865 50 0 DCAARO C[C@@H]1C[N@@H+](C[C@H](O)Cn2c(CO)nc3ccccc32)C[C@H](C)O1 ZINC000071824982 396116903 /nfs/dbraw/zinc/11/69/03/396116903.db2.gz CVRLBQKPQXKUMD-MJBXVCDLSA-N 1 0 319.405 0.999 50 0 DCAARO CC1(C)NC(=O)N(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000071825012 396117115 /nfs/dbraw/zinc/11/71/15/396117115.db2.gz ZZLYDPDBPIMEBA-AWEZNQCLSA-N 1 0 317.389 0.736 50 0 DCAARO C[N@H+](C[C@H](O)Cn1cccn1)C[C@H]1CCCN1c1cccnn1 ZINC000071877487 396121240 /nfs/dbraw/zinc/12/12/40/396121240.db2.gz PEUZKZHFKNOAHV-CABCVRRESA-N 1 0 316.409 0.635 50 0 DCAARO C[C@@H](CNc1cncc(-n2cccn2)n1)N1CC[NH+](C)CC1 ZINC000071899575 396124588 /nfs/dbraw/zinc/12/45/88/396124588.db2.gz YYXCXCHTDSZKKR-ZDUSSCGKSA-N 1 0 301.398 0.710 50 0 DCAARO COc1ccccc1[C@@H](C)NC(=O)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000072267957 396128140 /nfs/dbraw/zinc/12/81/40/396128140.db2.gz PMWZLYOHLJQFDJ-KGLIPLIRSA-N 1 0 321.421 0.793 50 0 DCAARO CC(C)(O)C[NH+]1CCN(C(=O)CCNCC(F)(F)F)CC1 ZINC000072269919 396128713 /nfs/dbraw/zinc/12/87/13/396128713.db2.gz WGUMGBKJSXRSEW-UHFFFAOYSA-N 1 0 311.348 0.444 50 0 DCAARO C[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)C(=O)N1CCOCC1 ZINC000072276708 396129135 /nfs/dbraw/zinc/12/91/35/396129135.db2.gz BFAXVJPOEWNTIH-ZIAGYGMSSA-N 1 0 319.409 0.282 50 0 DCAARO C[C@]1([C@@H]2CCC[N@H+](CCc3ccccn3)C2)NC(=O)NC1=O ZINC000072300751 396130880 /nfs/dbraw/zinc/13/08/80/396130880.db2.gz JXUAMWMGEBPSCP-MLGOLLRUSA-N 1 0 302.378 0.934 50 0 DCAARO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000069464143 396079290 /nfs/dbraw/zinc/07/92/90/396079290.db2.gz AQXLMMUIFYCMRM-CYBMUJFWSA-N 1 0 313.423 0.571 50 0 DCAARO CC1CC[NH+](C[C@@H](O)CN2CCC[C@@H]2Cn2cncn2)CC1 ZINC000069597853 396084903 /nfs/dbraw/zinc/08/49/03/396084903.db2.gz VBVVFWKVGKKUQQ-HZPDHXFCSA-N 1 0 307.442 0.835 50 0 DCAARO CN1CCO[C@H](C[NH2+]CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000069628746 396085342 /nfs/dbraw/zinc/08/53/42/396085342.db2.gz BRPRXZHGKWNCGN-MRXNPFEDSA-N 1 0 317.433 0.755 50 0 DCAARO COc1cc(C)nc(N2CCN(C(=O)C[N@H+](C)C3CC3)CC2)n1 ZINC000069627916 396085366 /nfs/dbraw/zinc/08/53/66/396085366.db2.gz BWMHCZKSIZBZNV-UHFFFAOYSA-N 1 0 319.409 0.536 50 0 DCAARO O=C1C[C@@H]([NH2+]Cc2cccnc2)CN1CCN1CCOCC1 ZINC000177353615 396172754 /nfs/dbraw/zinc/17/27/54/396172754.db2.gz YAZBEHZHIUBVRW-OAHLLOKOSA-N 1 0 304.394 0.104 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1[NH+](C)C ZINC000076051694 396194272 /nfs/dbraw/zinc/19/42/72/396194272.db2.gz PGGLOANQJWUDPO-VHSXEESVSA-N 1 0 300.380 0.705 50 0 DCAARO Cn1cc(CC[N@@H+]2CCC[C@@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)cn1 ZINC000076058819 396194694 /nfs/dbraw/zinc/19/46/94/396194694.db2.gz BCHCLJQDSGPWNI-CZUORRHYSA-N 1 0 319.409 0.615 50 0 DCAARO Cc1cc(C)n(CC[N@@H+]2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)n1 ZINC000076059130 396194840 /nfs/dbraw/zinc/19/48/40/396194840.db2.gz CAJANTPIEWSKSO-CZUORRHYSA-N 1 0 319.409 0.810 50 0 DCAARO C[C@H]([NH2+]CCC(=O)N1CCOCC1)c1nnc2ccccn21 ZINC000182709954 396252486 /nfs/dbraw/zinc/25/24/86/396252486.db2.gz IMRCQVHYPDWTQR-LBPRGKRZSA-N 1 0 303.366 0.629 50 0 DCAARO Cn1ccnc1CN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000078777048 396253600 /nfs/dbraw/zinc/25/36/00/396253600.db2.gz DNJTURBQSYAVEM-AWEZNQCLSA-N 1 0 305.426 0.549 50 0 DCAARO O[C@]1(CN2CCN(c3ccc(Cl)cn3)CC2)CCC[NH2+]C1 ZINC000077287823 396217297 /nfs/dbraw/zinc/21/72/97/396217297.db2.gz BICOEKHLXBGCGM-OAHLLOKOSA-N 1 0 310.829 0.972 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cnc2ccnn2c1C ZINC000584901708 396636901 /nfs/dbraw/zinc/63/69/01/396636901.db2.gz WMSJSZNULMVSBS-STQMWFEESA-N 1 0 303.366 0.487 50 0 DCAARO CCc1nc(CC[NH2+][C@@H](C)CNS(=O)(=O)C2CC2)no1 ZINC000584901308 396637066 /nfs/dbraw/zinc/63/70/66/396637066.db2.gz REWDPCKWSXOHDO-VIFPVBQESA-N 1 0 302.400 0.234 50 0 DCAARO O=C([C@@H]1CCCO1)N1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390833369 397303588 /nfs/dbraw/zinc/30/35/88/397303588.db2.gz GQXFHDKWIPVCIE-BARDWOONSA-N 1 0 321.421 0.224 50 0 DCAARO C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O)C(F)(F)F ZINC000408522973 397358230 /nfs/dbraw/zinc/35/82/30/397358230.db2.gz FTOBOWVVDMPHLY-BBBLOLIVSA-N 1 0 318.361 0.607 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330366457 159164220 /nfs/dbraw/zinc/16/42/20/159164220.db2.gz RFCGPDBTGUDPJJ-LLVKDONJSA-N 1 0 301.416 0.266 50 0 DCAARO COc1ccc([C@@H]2CCCN2CC(=O)N2CCNC(=O)C2)cc1 ZINC000014043187 415151312 /nfs/dbraw/zinc/15/13/12/415151312.db2.gz RPFGBBVXTWBUBH-HNNXBMFYSA-N 1 0 317.389 0.791 50 0 DCAARO COC[C@H](C)NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000025355676 415163177 /nfs/dbraw/zinc/16/31/77/415163177.db2.gz SAMBTHUVVYXKGD-INIZCTEOSA-N 1 0 319.449 0.998 50 0 DCAARO CC(C)[C@@H]1NC(=O)[C@H]2CN(Cc3cccs3)CCN2C1=O ZINC000014733427 415148499 /nfs/dbraw/zinc/14/84/99/415148499.db2.gz XOPWLFWWQTZSRT-OLZOCXBDSA-N 1 0 307.419 0.915 50 0 DCAARO CC[C@@H](C(=O)NCC[NH+](C)C)N1c2cc(C)nn2CCC1=O ZINC000015728682 415148944 /nfs/dbraw/zinc/14/89/44/415148944.db2.gz PMFVGKOKSMXKCL-LBPRGKRZSA-N 1 0 307.398 0.385 50 0 DCAARO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(O)c2)CC1 ZINC000044901087 415231837 /nfs/dbraw/zinc/23/18/37/415231837.db2.gz OFGNVQWDBBPUPA-UHFFFAOYSA-N 1 0 320.393 0.084 50 0 DCAARO CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCCC1 ZINC000052908452 415318288 /nfs/dbraw/zinc/31/82/88/415318288.db2.gz SQKYYYYCNACBCW-UHFFFAOYSA-N 1 0 308.382 0.113 50 0 DCAARO Cc1cnn(CC[NH2+]CC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000069777882 415400986 /nfs/dbraw/zinc/40/09/86/415400986.db2.gz WAXJTZSUDOUFQB-UHFFFAOYSA-N 1 0 316.361 0.826 50 0 DCAARO C[NH2+]C[C@@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O ZINC000067695311 415385074 /nfs/dbraw/zinc/38/50/74/415385074.db2.gz NKAHWHZYSYKKNT-INIZCTEOSA-N 1 0 308.378 0.777 50 0 DCAARO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000095954116 415563437 /nfs/dbraw/zinc/56/34/37/415563437.db2.gz ITBFUHAHNOTIFO-LLVKDONJSA-N 1 0 311.407 0.466 50 0 DCAARO CCCn1ncc(CN2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)c1C ZINC000097076530 415582909 /nfs/dbraw/zinc/58/29/09/415582909.db2.gz HZNZLXFUJMKSLS-IRXDYDNUSA-N 1 0 322.453 0.869 50 0 DCAARO CC1CCC(O)(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000098016299 415590820 /nfs/dbraw/zinc/59/08/20/415590820.db2.gz VQXYZAQJMSFHBZ-ROKHWSDSSA-N 1 0 304.456 0.928 50 0 DCAARO COCC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)nc(N)n2)C1 ZINC000299798929 416071320 /nfs/dbraw/zinc/07/13/20/416071320.db2.gz PLKLADHDSBROMT-GFCCVEGCSA-N 1 0 307.398 0.455 50 0 DCAARO C[C@H](C[S@@](C)=O)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182577631 416226520 /nfs/dbraw/zinc/22/65/20/416226520.db2.gz CONYBARYDKXEFT-VFGMZZLHSA-N 1 0 301.456 0.881 50 0 DCAARO Cc1cc(NC(=O)CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n(C)n1 ZINC000247021896 416332591 /nfs/dbraw/zinc/33/25/91/416332591.db2.gz CRUPMFZLSFREGK-OLZOCXBDSA-N 1 0 309.414 0.054 50 0 DCAARO 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ZINC000158934551 283590217 /nfs/dbraw/zinc/59/02/17/283590217.db2.gz YVXUEIXMUGLIPN-GFCCVEGCSA-N 1 0 300.366 0.734 50 0 DCAARO O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277731570 238331985 /nfs/dbraw/zinc/33/19/85/238331985.db2.gz XORNBRHWVNNRCF-LSDHHAIUSA-N 1 0 300.362 0.270 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)c2cnc3cc(C)ccn3c2=O)C1 ZINC000133001637 283681632 /nfs/dbraw/zinc/68/16/32/283681632.db2.gz JPDZKMKYZUNJGS-LBPRGKRZSA-N 1 0 300.362 0.827 50 0 DCAARO CCOC1CC(C[NH2+]Cc2ccnn2C)(N2CCOCC2)C1 ZINC000195459912 201392099 /nfs/dbraw/zinc/39/20/99/201392099.db2.gz XPXXDSDFHOPEAD-UHFFFAOYSA-N 1 0 308.426 0.780 50 0 DCAARO CN(CCCc1cnn(C)c1)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000091289455 193031667 /nfs/dbraw/zinc/03/16/67/193031667.db2.gz IFMGLFSTGHCHPD-CQSZACIVSA-N 1 0 321.425 0.008 50 0 DCAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1CO ZINC000091320601 193040128 /nfs/dbraw/zinc/04/01/28/193040128.db2.gz RINUADMDYDOLGB-HZPDHXFCSA-N 1 0 321.421 0.005 50 0 DCAARO C[N@H+](CCO)C[C@@H]1CN(c2cnc3ccccc3n2)C[C@@H]1CO ZINC000091619966 193079489 /nfs/dbraw/zinc/07/94/89/193079489.db2.gz RQTQXOKMLHJQSN-ZIAGYGMSSA-N 1 0 316.405 0.599 50 0 DCAARO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cc(=O)[nH]c(=O)[nH]1)C2 ZINC000091616453 193079702 /nfs/dbraw/zinc/07/97/02/193079702.db2.gz OHEDMOZDBVYSJP-DZGCQCFKSA-N 1 0 318.421 0.926 50 0 DCAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCn1cncn1)C2 ZINC000091737285 193099485 /nfs/dbraw/zinc/09/94/85/193099485.db2.gz VAUVEIXNOUVDLJ-ZIAGYGMSSA-N 1 0 307.398 0.237 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C(=O)CSc2ccccn2)C[C@@H]1CO ZINC000091859520 193119143 /nfs/dbraw/zinc/11/91/43/193119143.db2.gz CTBSKYBINQNWSO-CHWSQXEVSA-N 1 0 309.435 0.802 50 0 DCAARO C[N@@H+]1CCN(C(=O)c2ccncc2)C[C@@]12CCNC(=O)CC2 ZINC000091952020 193130413 /nfs/dbraw/zinc/13/04/13/193130413.db2.gz OWVPSEJGXSTRJQ-MRXNPFEDSA-N 1 0 302.378 0.508 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)N2CC(C)(C)[C@](O)(C3CC3)C2)CC1 ZINC000092080344 193155315 /nfs/dbraw/zinc/15/53/15/193155315.db2.gz KFHCSTIJSQCGJF-QGZVFWFLSA-N 1 0 309.454 0.633 50 0 DCAARO Cc1cc(C)n(CCn2cc([C@H]3CCC[NH2+]C3)nn2)c(=O)n1 ZINC000095355259 193428698 /nfs/dbraw/zinc/42/86/98/193428698.db2.gz ZJNKYIDMFCBWBK-ZDUSSCGKSA-N 1 0 302.382 0.619 50 0 DCAARO C[NH+](C)CCCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O ZINC000096113966 193544783 /nfs/dbraw/zinc/54/47/83/193544783.db2.gz JQAKNLAOYAKYQJ-CYBMUJFWSA-N 1 0 318.377 0.195 50 0 biogenic DCAARO O=C(CCN1CC[NH+](CCO)CC1)Nc1ccc2c(c1)OCO2 ZINC000019841381 182155536 /nfs/dbraw/zinc/15/55/36/182155536.db2.gz AGBHXNMMCQPSIH-UHFFFAOYSA-N 1 0 321.377 0.354 50 0 DCAARO CC(=O)N(C)c1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000020419536 182215960 /nfs/dbraw/zinc/21/59/60/182215960.db2.gz WAAPKJFOCWCZCC-INIZCTEOSA-N 1 0 321.421 0.656 50 0 DCAARO Cc1ccc(S(=O)(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000020727348 182244120 /nfs/dbraw/zinc/24/41/20/182244120.db2.gz YALFMJUAXCONKR-UHFFFAOYSA-N 1 0 311.451 0.911 50 0 DCAARO CC[NH+](CC)CCNCC(=O)NCc1ccc2c(c1)OCO2 ZINC000021149480 182266935 /nfs/dbraw/zinc/26/69/35/182266935.db2.gz NTRDYYNXWDYYSY-UHFFFAOYSA-N 1 0 307.394 0.963 50 0 DCAARO O=C(C[NH2+]CCN1CCOCC1)N1CCc2ccccc2C1 ZINC000022029723 182305165 /nfs/dbraw/zinc/30/51/65/182305165.db2.gz WORHSDPBQZQBEQ-UHFFFAOYSA-N 1 0 303.406 0.493 50 0 DCAARO C[NH2+]Cc1cn(CC2CCN(C(=O)[C@H]3CCCCO3)CC2)nn1 ZINC000023398324 182359836 /nfs/dbraw/zinc/35/98/36/182359836.db2.gz PTYPZLPEROOSTP-OAHLLOKOSA-N 1 0 321.425 0.805 50 0 DCAARO C[NH2+]Cc1cn(CC2CCN(C(=O)[C@@H]3CCCCO3)CC2)nn1 ZINC000023398322 182360087 /nfs/dbraw/zinc/36/00/87/182360087.db2.gz PTYPZLPEROOSTP-HNNXBMFYSA-N 1 0 321.425 0.805 50 0 DCAARO CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C[C@H]21 ZINC000101172738 193808925 /nfs/dbraw/zinc/80/89/25/193808925.db2.gz LCDPUWYUVOEKFY-LDTYRUFESA-N 1 0 322.409 0.369 50 0 DCAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC000058313479 184104128 /nfs/dbraw/zinc/10/41/28/184104128.db2.gz JOSYVRXIDHKEST-GFCCVEGCSA-N 1 0 302.382 0.894 50 0 DCAARO CC(=O)N1CCC[C@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000061635601 184179780 /nfs/dbraw/zinc/17/97/80/184179780.db2.gz WUGCBBRPVPRTGS-ZDUSSCGKSA-N 1 0 307.398 0.642 50 0 DCAARO CCc1noc(CN(CC)C(=O)CN2CCC[N@H+](C)CC2)n1 ZINC000065380593 184332095 /nfs/dbraw/zinc/33/20/95/184332095.db2.gz PLDHGLXCJHVBHT-UHFFFAOYSA-N 1 0 309.414 0.618 50 0 DCAARO COc1ccccc1CNC(=O)C[NH2+][C@H]1CCCCNC1=O ZINC000065430338 184343273 /nfs/dbraw/zinc/34/32/73/184343273.db2.gz XVQJQJZGBSYKJG-ZDUSSCGKSA-N 1 0 305.378 0.570 50 0 DCAARO CS(=O)(=O)NCCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000065463261 184349648 /nfs/dbraw/zinc/34/96/48/184349648.db2.gz SJSYYPNGDIZVEY-ZDUSSCGKSA-N 1 0 312.439 0.755 50 0 DCAARO CNS(=O)(=O)CC[NH2+]Cc1c(C)cc(C)c(CO)c1C ZINC000065504260 184356337 /nfs/dbraw/zinc/35/63/37/184356337.db2.gz KPZUZLYYKLUQSB-UHFFFAOYSA-N 1 0 300.424 0.743 50 0 DCAARO O=C(C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)N1CCNC(=O)C1 ZINC000065520348 184358735 /nfs/dbraw/zinc/35/87/35/184358735.db2.gz AFSXFHDSPPEKLS-HNNXBMFYSA-N 1 0 319.380 0.791 50 0 DCAARO CNC(=O)[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000237156793 256600177 /nfs/dbraw/zinc/60/01/77/256600177.db2.gz UYUODYHWZOZVHG-LSDHHAIUSA-N 1 0 301.390 0.686 50 0 DCAARO COc1cncc(-c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)cc2)c1 ZINC000426604286 257244860 /nfs/dbraw/zinc/24/48/60/257244860.db2.gz KOKBYQPLLABIOB-HZPDHXFCSA-N 1 0 313.357 0.820 50 0 DCAARO CC(C)[N@@H+]1CC[C@H](CN(C)C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000426490405 257248787 /nfs/dbraw/zinc/24/87/87/257248787.db2.gz FTQMEPBQEWCJLT-LLVKDONJSA-N 1 0 308.382 0.619 50 0 DCAARO COc1ncc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000426369943 257253324 /nfs/dbraw/zinc/25/33/24/257253324.db2.gz NGSGIOBYCDBEJV-UHFFFAOYSA-N 1 0 306.366 0.422 50 0 DCAARO O=c1[nH]nc2c(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)nccn12 ZINC000067350062 134834192 /nfs/dbraw/zinc/83/41/92/134834192.db2.gz WFEHULUXFTVUOD-GFCCVEGCSA-N 1 0 318.381 0.155 50 0 DCAARO NS(=O)(=O)c1ccc(CNC(=O)C[NH+]2CCCCC2)cc1 ZINC000014189862 395689374 /nfs/dbraw/zinc/68/93/74/395689374.db2.gz XXRIVUVQIVMYFF-UHFFFAOYSA-N 1 0 311.407 0.436 50 0 DCAARO O=C(CN1CC[NH+](C[C@H](O)C2CC2)CC1)N1CCCCCC1 ZINC000085436823 395700569 /nfs/dbraw/zinc/70/05/69/395700569.db2.gz XVXUQSMBAHYWDH-INIZCTEOSA-N 1 0 309.454 0.778 50 0 DCAARO C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@H]1C[N@H+](C)CCO ZINC000085469929 395700870 /nfs/dbraw/zinc/70/08/70/395700870.db2.gz NPQSRTCSDOQAQD-HUUCEWRRSA-N 1 0 322.405 0.605 50 0 DCAARO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc2nonc21 ZINC000089374956 395710477 /nfs/dbraw/zinc/71/04/77/395710477.db2.gz OLDDEZQYSDZBNN-SNVBAGLBSA-N 1 0 310.379 0.795 50 0 DCAARO C[N@H+](CCNC(=O)N1CCNC(=O)CC1)Cc1ccc(F)cc1 ZINC000089346245 395710593 /nfs/dbraw/zinc/71/05/93/395710593.db2.gz KXGJPQMYNXRMPZ-UHFFFAOYSA-N 1 0 322.384 0.789 50 0 DCAARO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)cc1 ZINC000032758561 395712913 /nfs/dbraw/zinc/71/29/13/395712913.db2.gz PVCLSLSBXJFARE-AWEZNQCLSA-N 1 0 309.362 0.670 50 0 DCAARO CCN1C(=O)N[C@](C)([C@H]2CCC[N@H+](CCn3cncn3)C2)C1=O ZINC000095402604 395740332 /nfs/dbraw/zinc/74/03/32/395740332.db2.gz HTRKHEFNVIMKFV-SWLSCSKDSA-N 1 0 320.397 0.321 50 0 DCAARO CCc1nc(CN(C)[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)no1 ZINC000095402654 395740453 /nfs/dbraw/zinc/74/04/53/395740453.db2.gz HFMVXBUTIGHDGH-RYUDHWBXSA-N 1 0 309.414 0.615 50 0 DCAARO C[C@]1(O)CC[N@@H+](C2CCN(C(=O)c3ccccn3)CC2)C[C@@H]1O ZINC000097294691 395757139 /nfs/dbraw/zinc/75/71/39/395757139.db2.gz ZRTPBFMHUNHJJE-RDJZCZTQSA-N 1 0 319.405 0.504 50 0 DCAARO CC(=O)N1CCN([C@H]2CN(Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000107058249 395784466 /nfs/dbraw/zinc/78/44/66/395784466.db2.gz DOSFRJLIXYJCDD-FZMZJTMJSA-N 1 0 307.398 0.362 50 0 DCAARO CC(=O)N1CCN([C@H]2CN(Cc3ncc(C)o3)C[C@@H]2C)CC1 ZINC000107058139 395784747 /nfs/dbraw/zinc/78/47/47/395784747.db2.gz UGRHNRTYNZKHCB-WFASDCNBSA-N 1 0 306.410 0.967 50 0 DCAARO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000195555403 395831613 /nfs/dbraw/zinc/83/16/13/395831613.db2.gz FPZNLTJOYRMHSN-ZNMIVQPWSA-N 1 0 310.442 0.179 50 0 DCAARO CCc1cc(NC[C@@H](O)C[NH+]2CCCCC2)n2ncnc2n1 ZINC000052131511 395860081 /nfs/dbraw/zinc/86/00/81/395860081.db2.gz DPZWMTXASZIEMR-CYBMUJFWSA-N 1 0 304.398 0.945 50 0 DCAARO Oc1ccc(N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)cc1 ZINC000051293691 395849213 /nfs/dbraw/zinc/84/92/13/395849213.db2.gz NWEXLUDEIYMTMC-INIZCTEOSA-N 1 0 302.378 0.772 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000125777446 395905766 /nfs/dbraw/zinc/90/57/66/395905766.db2.gz DTGRTMLMKDVJIT-NSHDSACASA-N 1 0 316.336 0.806 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCCCNc2cccnc2)C1 ZINC000055211779 395914384 /nfs/dbraw/zinc/91/43/84/395914384.db2.gz RYDSMYRBDFXIAM-CYBMUJFWSA-N 1 0 319.409 0.197 50 0 DCAARO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000229536701 395874964 /nfs/dbraw/zinc/87/49/64/395874964.db2.gz XKINAPNVCBZSFL-KBPBESRZSA-N 1 0 323.441 0.626 50 0 DCAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000229554606 395875335 /nfs/dbraw/zinc/87/53/35/395875335.db2.gz KRSKZRVPBPTOCK-OWCLPIDISA-N 1 0 309.410 0.904 50 0 DCAARO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000229594289 395875576 /nfs/dbraw/zinc/87/55/76/395875576.db2.gz WNFOXZFGTKIXAK-QWHCGFSZSA-N 1 0 324.425 0.684 50 0 DCAARO O[C@@H](CN1CCOCC1)C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000247800970 395978850 /nfs/dbraw/zinc/97/88/50/395978850.db2.gz VKGPXTOMZOFCAG-HOTGVXAUSA-N 1 0 308.426 0.431 50 0 DCAARO C[C@@H](CNC(=O)NC1CCN(c2ncccn2)CC1)[NH+](C)C ZINC000065439726 395992728 /nfs/dbraw/zinc/99/27/28/395992728.db2.gz FKCWBLRJYJKPJJ-LBPRGKRZSA-N 1 0 306.414 0.695 50 0 DCAARO Nc1nc(NCc2nnc3n2CCCC3)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252568983 396023057 /nfs/dbraw/zinc/02/30/57/396023057.db2.gz VSNMJJILNTXVNL-AOOOYVTPSA-N 1 0 315.381 0.837 50 0 DCAARO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1CO ZINC000253414489 396028073 /nfs/dbraw/zinc/02/80/73/396028073.db2.gz XQKAYQRCSUBWTL-LSDHHAIUSA-N 1 0 320.389 0.177 50 0 DCAARO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1CO ZINC000253414202 396028161 /nfs/dbraw/zinc/02/81/61/396028161.db2.gz WTFTVMBDJZMGNO-JKSUJKDBSA-N 1 0 306.406 0.859 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@@H](C)[NH2+]1 ZINC000153980265 396028414 /nfs/dbraw/zinc/02/84/14/396028414.db2.gz MSIPXUBWBAFYHE-NXEZZACHSA-N 1 0 315.395 0.151 50 0 DCAARO c1cnc(NC2CCN(c3ncnc4c3CC[NH2+]C4)CC2)nc1 ZINC000067560554 396028443 /nfs/dbraw/zinc/02/84/43/396028443.db2.gz FZKIHHYBRJZZRV-UHFFFAOYSA-N 1 0 311.393 0.993 50 0 DCAARO Cc1nc(C[NH3+])cc(N2CCC([C@@H](O)c3nccn3C)CC2)n1 ZINC000067689304 396031164 /nfs/dbraw/zinc/03/11/64/396031164.db2.gz DSNSKVPOMZMHBX-OAHLLOKOSA-N 1 0 316.409 0.927 50 0 DCAARO NC(=O)C[NH2+]C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067713134 396031905 /nfs/dbraw/zinc/03/19/05/396031905.db2.gz KDPRATXFMJUXCM-KRWDZBQOSA-N 1 0 319.405 0.048 50 0 DCAARO COCCN1CCC[C@](O)(C[NH2+]Cc2c(C)noc2C)C1=O ZINC000067841548 396035965 /nfs/dbraw/zinc/03/59/65/396035965.db2.gz MBCSUZSDOIIXFZ-HNNXBMFYSA-N 1 0 311.382 0.381 50 0 DCAARO [NH3+]C[C@@H]1CN(c2ncnc3c2cnn3-c2ccccc2)CCO1 ZINC000261779694 396064733 /nfs/dbraw/zinc/06/47/33/396064733.db2.gz RSBHRCJLGDBYDC-CYBMUJFWSA-N 1 0 310.361 0.979 50 0 DCAARO CCCn1ncnc1[C@H](C)NC(=O)CCN1CC[NH+](C)CC1 ZINC000252482232 396019868 /nfs/dbraw/zinc/01/98/68/396019868.db2.gz DBBNGQPKBTZCPQ-ZDUSSCGKSA-N 1 0 308.430 0.503 50 0 DCAARO CCc1nccn1CC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000252483655 396019941 /nfs/dbraw/zinc/01/99/41/396019941.db2.gz FGOYDJHTZXBNMC-UHFFFAOYSA-N 1 0 300.428 0.413 50 0 DCAARO CN1CCO[C@H](C[NH2+]Cc2ccccc2N2CCOCC2)C1 ZINC000069653653 396086389 /nfs/dbraw/zinc/08/63/89/396086389.db2.gz YOKFEGOJAJTDGY-MRXNPFEDSA-N 1 0 305.422 0.943 50 0 DCAARO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)NC(=O)NCc1ccccc1 ZINC000069705168 396087793 /nfs/dbraw/zinc/08/77/93/396087793.db2.gz PPCUNINLJMRVHF-UHFFFAOYSA-N 1 0 320.393 0.469 50 0 DCAARO COCCCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(C)=O ZINC000069705836 396087981 /nfs/dbraw/zinc/08/79/81/396087981.db2.gz XVNVWOKZAYTFST-HUUCEWRRSA-N 1 0 311.426 0.614 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000069846236 396091926 /nfs/dbraw/zinc/09/19/26/396091926.db2.gz FEXSPIZJVZQLQL-HNNXBMFYSA-N 1 0 321.425 0.466 50 0 DCAARO O=C(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCNC(=O)C1 ZINC000170607299 396094954 /nfs/dbraw/zinc/09/49/54/396094954.db2.gz YPLWIBKNSBVAAA-HZPDHXFCSA-N 1 0 315.417 0.946 50 0 DCAARO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2Cn2cccn2)C1=O ZINC000069930294 396095362 /nfs/dbraw/zinc/09/53/62/396095362.db2.gz BKJKSTCNTXXJDX-GFCCVEGCSA-N 1 0 305.382 0.678 50 0 DCAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COCc1ccco1)CC2 ZINC000069951248 396096016 /nfs/dbraw/zinc/09/60/16/396096016.db2.gz ZREBTPPLAOAMMA-OLZOCXBDSA-N 1 0 306.366 0.662 50 0 DCAARO Cc1cc(NC(=O)CC[NH2+][C@H]2CCc3nc(C)nn3C2)no1 ZINC000069950664 396096178 /nfs/dbraw/zinc/09/61/78/396096178.db2.gz DOTCTULFAZGOSM-NSHDSACASA-N 1 0 304.354 0.816 50 0 DCAARO CC(C)C[C@@H]([NH3+])C(=O)NCCn1[nH]c(=O)c2ccccc2c1=O ZINC000071774406 396114190 /nfs/dbraw/zinc/11/41/90/396114190.db2.gz RCQNZZXWCIEKBD-CYBMUJFWSA-N 1 0 318.377 0.592 50 0 DCAARO NC(=O)COc1cccc(C[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000071871757 396120818 /nfs/dbraw/zinc/12/08/18/396120818.db2.gz OCEDIYKFGNHQBO-GFCCVEGCSA-N 1 0 301.350 0.247 50 0 DCAARO C[NH+](C)C[C@@H]1CN(Cc2nc(-c3cccnc3)no2)CCO1 ZINC000071878840 396121210 /nfs/dbraw/zinc/12/12/10/396121210.db2.gz ZMZOJDOHFTYESZ-CYBMUJFWSA-N 1 0 303.366 0.894 50 0 DCAARO CC1CC[NH+](C[C@@H](O)CN2CCO[C@H](Cn3cncn3)C2)CC1 ZINC000071877039 396121531 /nfs/dbraw/zinc/12/15/31/396121531.db2.gz BRJWQOTUAZYODE-CVEARBPZSA-N 1 0 323.441 0.072 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCNS(C)(=O)=O ZINC000071880423 396122836 /nfs/dbraw/zinc/12/28/36/396122836.db2.gz YYRULRZZUZDEDP-UONOGXRCSA-N 1 0 317.455 0.401 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072255164 396128291 /nfs/dbraw/zinc/12/82/91/396128291.db2.gz MGGUPPAMTZUNDQ-LBPRGKRZSA-N 1 0 300.428 0.871 50 0 DCAARO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262464666 396143259 /nfs/dbraw/zinc/14/32/59/396143259.db2.gz GDOGOZDKIGTFJV-RNFRBKRXSA-N 1 0 309.313 0.843 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2cccnc2)CC[N@@H+]1C[C@@H](C)O ZINC000072279815 396129062 /nfs/dbraw/zinc/12/90/62/396129062.db2.gz WDKJUTQEDDIQNB-UKRRQHHQSA-N 1 0 306.410 0.797 50 0 DCAARO COCCC[N@H+](C)CCNC(=O)CNC(=O)CCC(C)C ZINC000072295862 396129818 /nfs/dbraw/zinc/12/98/18/396129818.db2.gz DPUHPQVMVZVMAB-UHFFFAOYSA-N 1 0 301.431 0.623 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)n1 ZINC000069521345 396082177 /nfs/dbraw/zinc/08/21/77/396082177.db2.gz GVDBLGYOFHHGLO-CABCVRRESA-N 1 0 304.398 0.617 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]CC(=O)NCc1ccco1)CC2 ZINC000069621327 396084537 /nfs/dbraw/zinc/08/45/37/396084537.db2.gz JMYWHCLYEBTKFC-LLVKDONJSA-N 1 0 303.366 0.654 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]CC(=O)Nc1cc(C)on1)CC2 ZINC000069620858 396084863 /nfs/dbraw/zinc/08/48/63/396084863.db2.gz AXCSFNJNNSLXCX-SNVBAGLBSA-N 1 0 304.354 0.680 50 0 DCAARO CN1CCO[C@@H](C[NH2+]CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000069628748 396085293 /nfs/dbraw/zinc/08/52/93/396085293.db2.gz BRPRXZHGKWNCGN-INIZCTEOSA-N 1 0 317.433 0.755 50 0 DCAARO Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000262666266 396170077 /nfs/dbraw/zinc/17/00/77/396170077.db2.gz PNRFQIKWGSSJAM-STQMWFEESA-N 1 0 311.407 0.145 50 0 DCAARO CCn1cc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000076058701 396194931 /nfs/dbraw/zinc/19/49/31/396194931.db2.gz HSYBLVFYODAFGQ-AAEUAGOBSA-N 1 0 300.428 0.910 50 0 DCAARO C[C@@]1([C@H]2CCC[N@H+](CCc3ccncc3)C2)NC(=O)NC1=O ZINC000076059295 396195887 /nfs/dbraw/zinc/19/58/87/396195887.db2.gz FFRUIKUBULLSJD-BBRMVZONSA-N 1 0 302.378 0.934 50 0 DCAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC000178890215 396213831 /nfs/dbraw/zinc/21/38/31/396213831.db2.gz ZZQXPEPCQYBYME-LLVKDONJSA-N 1 0 309.391 0.683 50 0 DCAARO COc1ccccc1C[C@H](C)N(C)C(=O)c1cn(CC[NH3+])nn1 ZINC000077355189 396219707 /nfs/dbraw/zinc/21/97/07/396219707.db2.gz FNUJNYBOOJMLFW-LBPRGKRZSA-N 1 0 317.393 0.949 50 0 DCAARO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000082092032 396310498 /nfs/dbraw/zinc/31/04/98/396310498.db2.gz FPQGQZHVCQDQLZ-YUMQZZPRSA-N 1 0 310.782 0.360 50 0 DCAARO CN(CC(=O)N1Cc2ccccc2[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000584900217 396636614 /nfs/dbraw/zinc/63/66/14/396636614.db2.gz DOFDLVGGNMTFMS-INIZCTEOSA-N 1 0 303.406 0.746 50 0 DCAARO O=C(NC[C@H](O)c1ccc(F)cc1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000585136922 396641381 /nfs/dbraw/zinc/64/13/81/396641381.db2.gz YRAOHXSAQVGTEH-GOEBONIOSA-N 1 0 321.352 0.874 50 0 DCAARO NC(=O)COc1ccc(/C=C\C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000255391305 287124761 /nfs/dbraw/zinc/12/47/61/287124761.db2.gz MVUWTNSATVFCFI-DMTLFAOVSA-N 1 0 303.362 0.514 50 0 DCAARO CCn1c(CN2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004225204 415128298 /nfs/dbraw/zinc/12/82/98/415128298.db2.gz ZQBVSWOJRYBZBV-NSHDSACASA-N 1 0 319.409 0.828 50 0 DCAARO O=C(NCc1ccccc1Cn1cccn1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000269208124 415249307 /nfs/dbraw/zinc/24/93/07/415249307.db2.gz NOYSKTZBTDMORG-CABCVRRESA-N 1 0 300.362 0.270 50 0 DCAARO O=C(CC[N@@H+](CCO)CCCO)N1CCc2sccc2C1 ZINC000069874818 415403650 /nfs/dbraw/zinc/40/36/50/415403650.db2.gz CRGOQRPKKQPQFJ-UHFFFAOYSA-N 1 0 312.435 0.700 50 0 DCAARO Cn1cnc2cc(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)cnc21 ZINC000072154579 415407815 /nfs/dbraw/zinc/40/78/15/415407815.db2.gz VFABSQGUVRWKNI-INIZCTEOSA-N 1 0 317.393 0.497 50 0 DCAARO Cc1nc(CN2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)cs1 ZINC000072149489 415411551 /nfs/dbraw/zinc/41/15/51/415411551.db2.gz WPPQDVNUVDOCNA-ZDUSSCGKSA-N 1 0 324.450 0.474 50 0 DCAARO C[C@@H]1C[N@H+](C2CCN(C(=O)CCn3cncn3)CC2)C[C@H](C)O1 ZINC000072436657 415412605 /nfs/dbraw/zinc/41/26/05/415412605.db2.gz FQVHTDMCPWYOCP-OKILXGFUSA-N 1 0 321.425 0.768 50 0 DCAARO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(CO)CO)C2)cc1 ZINC000067834359 415384517 /nfs/dbraw/zinc/38/45/17/415384517.db2.gz RKGVEUNBIXINBK-ZDUSSCGKSA-N 1 0 307.394 0.792 50 0 DCAARO COCc1ncc(CN2CCN(C)C3(CC[NH+](C)CC3)C2)cn1 ZINC000067741499 415386388 /nfs/dbraw/zinc/38/63/88/415386388.db2.gz WUWMNRPZFSHIIG-UHFFFAOYSA-N 1 0 319.453 0.835 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C(C)C)[nH]c1=O ZINC000067679026 415387081 /nfs/dbraw/zinc/38/70/81/415387081.db2.gz MVAGVFPCUXEOCZ-GWCFXTLKSA-N 1 0 320.393 0.176 50 0 DCAARO CCN1CCO[C@@H](C[NH2+]Cc2ccccc2OCC(=O)NC)C1 ZINC000075133671 415438965 /nfs/dbraw/zinc/43/89/65/415438965.db2.gz JXMFDZSCWKJHAP-HNNXBMFYSA-N 1 0 321.421 0.622 50 0 DCAARO CN1CC[C@]2(CN(C(=O)N3CCOCC3)CC[N@@H+]2C)CCC1=O ZINC000095358948 415552255 /nfs/dbraw/zinc/55/22/55/415552255.db2.gz ZEMSGXPLSPLNGT-INIZCTEOSA-N 1 0 324.425 0.067 50 0 DCAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC000095354244 415553473 /nfs/dbraw/zinc/55/34/73/415553473.db2.gz OGOLWEMIYQMPCK-LBPRGKRZSA-N 1 0 317.397 0.583 50 0 DCAARO Cc1nc2ncccc2c(NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000095387427 415558357 /nfs/dbraw/zinc/55/83/57/415558357.db2.gz OWXAVRFYUMUZAW-GFCCVEGCSA-N 1 0 314.393 0.942 50 0 DCAARO COc1ccnc(Cn2ncc(N3CC[NH2+]CC3)cc2=O)c1 ZINC000095531543 415564367 /nfs/dbraw/zinc/56/43/67/415564367.db2.gz YTAVAGBPVWSIPC-UHFFFAOYSA-N 1 0 301.350 0.105 50 0 DCAARO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](C)Cc2ccnn2C)C1 ZINC000096009255 415572857 /nfs/dbraw/zinc/57/28/57/415572857.db2.gz LFCDOXOSGOEENP-JSGCOSHPSA-N 1 0 314.455 0.612 50 0 DCAARO C[N@@H+]1CCN(c2nc3c(cc2C(N)=O)CCC3)C[C@H]1CCO ZINC000106949689 415655088 /nfs/dbraw/zinc/65/50/88/415655088.db2.gz LJQGVRTXVYHGSL-GFCCVEGCSA-N 1 0 304.394 0.172 50 0 DCAARO C[C@H]1CN(C(=O)COc2ccc(CC(N)=O)cc2)C[C@H](C)[NH2+]1 ZINC000153617118 415984119 /nfs/dbraw/zinc/98/41/19/415984119.db2.gz GGSLSBMKEUJYIQ-RYUDHWBXSA-N 1 0 305.378 0.302 50 0 DCAARO C[C@H](Cn1cncn1)NC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000299755570 416064101 /nfs/dbraw/zinc/06/41/01/416064101.db2.gz AFJRCDNNKISKFR-CYBMUJFWSA-N 1 0 321.425 0.674 50 0 DCAARO Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1S(N)(=O)=O ZINC000179160708 416183332 /nfs/dbraw/zinc/18/33/32/416183332.db2.gz XCYQNDPLWLUBFE-GHMZBOCLSA-N 1 0 311.407 0.465 50 0 DCAARO CCCn1ccnc1CN1CCc2n[nH]c(C(=O)NC)c2C1 ZINC000215152617 416327062 /nfs/dbraw/zinc/32/70/62/416327062.db2.gz ANSAPCACNBIPMN-UHFFFAOYSA-N 1 0 302.382 0.934 50 0 DCAARO CC1(C)CN(S(=O)(=O)c2cn3c(n2)CCCC3)CC[C@H]1[NH3+] ZINC000225428526 416327767 /nfs/dbraw/zinc/32/77/67/416327767.db2.gz IZGLNJZSZCOIPT-LLVKDONJSA-N 1 0 312.439 0.967 50 0 DCAARO CCn1ccnc1CN1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000239636988 416330141 /nfs/dbraw/zinc/33/01/41/416330141.db2.gz BHZZLOZWTRJPAA-HZPDHXFCSA-N 1 0 321.469 0.740 50 0 DCAARO Cc1c[nH+]ccc1NCCNc1cc([C@H]2CCOC2)nc(N)n1 ZINC000426471379 416771807 /nfs/dbraw/zinc/77/18/07/416771807.db2.gz NPLUXFRAIAJPJO-LBPRGKRZSA-N 1 0 314.393 0.634 50 0 DCAARO O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299751076 229392978 /nfs/dbraw/zinc/39/29/78/229392978.db2.gz PKOSWJOARAAUOV-GJZGRUSLSA-N 1 0 300.362 0.270 50 0 DCAARO Cc1cc(C)n2nc(C(=O)N3CC[C@](O)(C[NH+](C)C)C3)cc2n1 ZINC000072150676 274693516 /nfs/dbraw/zinc/69/35/16/274693516.db2.gz WEWXASGTDDXQIR-INIZCTEOSA-N 1 0 317.393 0.485 50 0 DCAARO CCN1CC[C@@]2(CN(Cc3nnc(C)o3)CC[N@@H+]2C)CCC1=O ZINC000091620280 276221464 /nfs/dbraw/zinc/22/14/64/276221464.db2.gz DSNVXGCVDCXFND-MRXNPFEDSA-N 1 0 321.425 0.897 50 0 DCAARO C[C@H]1CCCN(C(=O)c2cnc3sccn3c2=O)[C@@H]1C[NH3+] ZINC000237660457 279665487 /nfs/dbraw/zinc/66/54/87/279665487.db2.gz UQYINQKIFHCZEH-GXSJLCMTSA-N 1 0 306.391 0.955 50 0 DCAARO CN(C)C(=O)CN1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377939756 281922294 /nfs/dbraw/zinc/92/22/94/281922294.db2.gz NUPXALWIDXBZQC-UHFFFAOYSA-N 1 0 322.453 0.284 50 0 DCAARO COc1cccc(C(=O)N2CCOC[C@@H]2C[N@H+](C)CCO)c1 ZINC000085469804 295285376 /nfs/dbraw/zinc/28/53/76/295285376.db2.gz SHODMCQEVFAVHW-AWEZNQCLSA-N 1 0 308.378 0.460 50 0 DCAARO [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000131136164 303395724 /nfs/dbraw/zinc/39/57/24/303395724.db2.gz OXXYDJAIDZAZFL-UWVGGRQHSA-N 1 0 307.316 0.737 50 0 DCAARO CNC(=O)c1cc(S(=O)(=O)N2CCC[NH2+]CC2)cs1 ZINC000534581105 334289359 /nfs/dbraw/zinc/28/93/59/334289359.db2.gz UNAGQHUJQXNROM-UHFFFAOYSA-N 1 0 303.409 0.092 50 0 DCAARO CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)[C@@H](OC)C1 ZINC000534637899 334309828 /nfs/dbraw/zinc/30/98/28/334309828.db2.gz MVSQVCUSYKHWSV-GJZGRUSLSA-N 1 0 315.377 0.716 50 0 DCAARO CN1CCN(CC(=O)NC2CC[NH+](C3CCCC3)CC2)C1=O ZINC000534641414 334311330 /nfs/dbraw/zinc/31/13/30/334311330.db2.gz JDHFIRHRPWEBCL-UHFFFAOYSA-N 1 0 308.426 0.877 50 0 DCAARO Cc1ccccc1[C@@H](CNC(=O)CNS(C)(=O)=O)[NH+](C)C ZINC000534658212 334314532 /nfs/dbraw/zinc/31/45/32/334314532.db2.gz KHIIVTOGABNAPH-CYBMUJFWSA-N 1 0 313.423 0.263 50 0 DCAARO Cn1c(Sc2ccc(C(N)=O)cn2)nnc1C1CC[NH2+]CC1 ZINC000534670148 334319955 /nfs/dbraw/zinc/31/99/55/334319955.db2.gz ACKUJGYOSXZJOQ-UHFFFAOYSA-N 1 0 318.406 0.927 50 0 DCAARO NC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000097103578 337382349 /nfs/dbraw/zinc/38/23/49/337382349.db2.gz CWCULIKULCJJDQ-OPRDCNLKSA-N 1 0 307.316 0.783 50 0 DCAARO [NH3+]C[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1F)C1CC1 ZINC000159287135 527205224 /nfs/dbraw/zinc/20/52/24/527205224.db2.gz QNEYXIHWFCRFCG-CYBMUJFWSA-N 1 0 306.341 0.822 50 0 DCAARO Cc1cc(C(=O)N2CCN([C@H](C)CN3CCOCC3)CC2)on1 ZINC000091598151 545718910 /nfs/dbraw/zinc/71/89/10/545718910.db2.gz WDMWMYOPWQMPRH-CQSZACIVSA-N 1 0 322.409 0.462 50 0 DCAARO Cc1cc(C(=O)N2CCN([C@@H](C)CN3CCOCC3)CC2)on1 ZINC000091598150 545719196 /nfs/dbraw/zinc/71/91/96/545719196.db2.gz WDMWMYOPWQMPRH-AWEZNQCLSA-N 1 0 322.409 0.462 50 0 DCAARO CC(C)c1cnc(N2CCN(C[C@H](O)C[NH+](C)C)CC2)nc1 ZINC000670459468 547097501 /nfs/dbraw/zinc/09/75/01/547097501.db2.gz WPHYRYFRVVSIDH-OAHLLOKOSA-N 1 0 307.442 0.645 50 0 DCAARO CCc1nc(S(=O)(=O)NC[C@H]2CC[N@H+](CCOC)C2)c[nH]1 ZINC000670455603 547097734 /nfs/dbraw/zinc/09/77/34/547097734.db2.gz IGENUYYSGHRAIJ-LLVKDONJSA-N 1 0 316.427 0.219 50 0 DCAARO Cn1c(CO)nnc1C1CC[NH+](CCCn2cccn2)CC1 ZINC000670471700 547101246 /nfs/dbraw/zinc/10/12/46/547101246.db2.gz ABEYGAFGUIIGHL-UHFFFAOYSA-N 1 0 304.398 0.774 50 0 DCAARO C[C@H](NC(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1)c1ncnn1C ZINC000685941375 548747292 /nfs/dbraw/zinc/74/72/92/548747292.db2.gz AWAHPMPDQNZSRM-JTQLQIEISA-N 1 0 317.397 0.838 50 0 DCAARO CN(C)C(=O)N1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000222278366 563724795 /nfs/dbraw/zinc/72/47/95/563724795.db2.gz HEIJWIGPXOECKY-UHFFFAOYSA-N 1 0 304.398 0.485 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CN1CCC(c2nnc(CO)n2C)CC1 ZINC000244602091 660602312 /nfs/dbraw/zinc/60/23/12/660602312.db2.gz DXJKMDHYEVGKGO-CQSZACIVSA-N 1 0 307.442 0.971 50 0 DCAARO Cn1cnc2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cnc21 ZINC000181228213 665508442 /nfs/dbraw/zinc/50/84/42/665508442.db2.gz JMSRLGSBHUGQRB-CYBMUJFWSA-N 1 0 317.393 0.545 50 0 DCAARO CC[C@@H]1CN(C(=O)c2c[nH]c3ncnn3c2=O)CC[N@@H+]1C(C)C ZINC000101896440 658321396 /nfs/dbraw/zinc/32/13/96/658321396.db2.gz SASVEBUSKQWRGQ-LLVKDONJSA-N 1 0 318.381 0.362 50 0 DCAARO NC(=O)[C@@H]1CCC[N@H+](CCn2cnc3sccc3c2=O)C1 ZINC000032565384 664684511 /nfs/dbraw/zinc/68/45/11/664684511.db2.gz KCURPLBLRILBNE-SNVBAGLBSA-N 1 0 306.391 0.655 50 0 DCAARO CC1(CNC(=O)c2ccnc(-n3cncn3)c2)CC[NH2+]CC1 ZINC000183316007 666022269 /nfs/dbraw/zinc/02/22/69/666022269.db2.gz ZRMVBMNQFNVMSA-UHFFFAOYSA-N 1 0 300.366 0.782 50 0 DCAARO Cn1ccnc1[C@H](NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)C1CC1 ZINC000952965891 685599275 /nfs/dbraw/zinc/59/92/75/685599275.db2.gz UOJTTZAUGQPGQS-TZMCWYRMSA-N 1 0 319.409 0.185 50 0 DCAARO COCCN1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])CCC1=O ZINC000952979489 685601199 /nfs/dbraw/zinc/60/11/99/685601199.db2.gz TYKAAZKSWIWCPE-COMQUAJESA-N 1 0 309.410 0.067 50 0 DCAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)CCN2CCCCCC2=O)C1 ZINC000952977529 685601210 /nfs/dbraw/zinc/60/12/10/685601210.db2.gz VWLPFWMJBNLDLU-KGLIPLIRSA-N 1 0 311.426 0.303 50 0 DCAARO CC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cc(F)ccc3F)CN2C1=O ZINC000014754802 685048912 /nfs/dbraw/zinc/04/89/12/685048912.db2.gz ZBDVVRADPZPFNX-UBHSHLNASA-N 1 0 323.343 0.932 50 0 DCAARO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000067588157 685068894 /nfs/dbraw/zinc/06/88/94/685068894.db2.gz CXQVTTMQKSMKOV-GJZGRUSLSA-N 1 0 319.409 0.154 50 0 DCAARO C[N@@H+]1CCC[C@]2(CO)CCN(C(=O)c3ccc(N)nc3)C[C@@H]12 ZINC001704299614 1179965087 /nfs/dbraw/zinc/96/50/87/1179965087.db2.gz OQBYLIPQNJIQRP-CZUORRHYSA-N 1 0 304.394 0.583 50 0 DCAARO Cc1nc(C)c(CC(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)c(=O)[nH]1 ZINC001704312495 1179969262 /nfs/dbraw/zinc/96/92/62/1179969262.db2.gz DQDMHOPIEGOGPJ-STQMWFEESA-N 1 0 320.393 0.131 50 0 DCAARO Cn1c(=O)[nH]cc(CC[N@H+](C)Cc2ccc3nonc3c2)c1=O ZINC001704348766 1179982086 /nfs/dbraw/zinc/98/20/86/1179982086.db2.gz FRAXGPMCQSAUHJ-UHFFFAOYSA-N 1 0 315.333 0.697 50 0 DCAARO CCCS(=O)(=O)NC[C@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000822993561 758217027 /nfs/dbraw/zinc/21/70/27/758217027.db2.gz RDPLEBFKSMETDJ-LBPRGKRZSA-N 1 0 300.424 0.986 50 0 DCAARO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCOc2ccc(F)cc2)C1 ZINC000823755232 758265026 /nfs/dbraw/zinc/26/50/26/758265026.db2.gz NAKKKFUSYJSALC-GFCCVEGCSA-N 1 0 302.371 0.828 50 0 DCAARO Cc1nonc1CC(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000827856174 758894273 /nfs/dbraw/zinc/89/42/73/758894273.db2.gz QLSDMHSKUXAQBB-UHFFFAOYSA-N 1 0 308.382 0.680 50 0 DCAARO O=S(=O)(NCCC[N@H+]1CCCC[C@H]1CO)N1CCCC1 ZINC000828711008 759073649 /nfs/dbraw/zinc/07/36/49/759073649.db2.gz XWRDMBJZZLSOPV-ZDUSSCGKSA-N 1 0 305.444 0.154 50 0 DCAARO O=C(N[C@H]1CCN(c2cc(N3CCOCC3)cn[nH+]2)C1)C1CC1 ZINC000581814749 760256523 /nfs/dbraw/zinc/25/65/23/760256523.db2.gz JALNTUUPGHOCGJ-ZDUSSCGKSA-N 1 0 317.393 0.418 50 0 DCAARO CC(C)[C@]1(O)CN(C(=O)CC[N@@H+]2CCCN(C)CC2)C[C@H]1C ZINC000219576258 766271074 /nfs/dbraw/zinc/27/10/74/766271074.db2.gz VCESNCLKDPPBSC-NVXWUHKLSA-N 1 0 311.470 0.879 50 0 DCAARO Cc1sc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1S(N)(=O)=O ZINC000585086666 766272007 /nfs/dbraw/zinc/27/20/07/766272007.db2.gz JLQGEZBFOUQFGQ-MRVPVSSYSA-N 1 0 303.409 0.138 50 0 DCAARO CC(C)(C[NH2+]CCN1CCC[C@H](CO)C1)CN1CCOCC1 ZINC000952861407 768923112 /nfs/dbraw/zinc/92/31/12/768923112.db2.gz FFNVGJJJTVXQDO-INIZCTEOSA-N 1 0 313.486 0.639 50 0 DCAARO O=C(C1CC=CC1)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000952868171 768923865 /nfs/dbraw/zinc/92/38/65/768923865.db2.gz ZVGSPMOLFRINCI-UHFFFAOYSA-N 1 0 307.438 0.554 50 0 DCAARO COCC[NH+]1CCC(C(=O)Nc2cnn3c2NCCC3)CC1 ZINC001529158697 1014508370 /nfs/dbraw/zinc/50/83/70/1014508370.db2.gz JDTAROSXUWBYBO-UHFFFAOYSA-N 1 0 307.398 0.996 50 0 DCAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCO[C@H](C)C2)CC1 ZINC000074659036 185006292 /nfs/dbraw/zinc/00/62/92/185006292.db2.gz DWMCVOVIDGSMER-LSDHHAIUSA-N 1 0 312.458 0.690 50 0 DCAARO C[NH+](C)CCCNC(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000013670894 282086958 /nfs/dbraw/zinc/08/69/58/282086958.db2.gz WBZGJFCDZAOMPZ-UHFFFAOYSA-N 1 0 313.423 0.521 50 0 DCAARO CCn1ccnc1C1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000095499863 185374636 /nfs/dbraw/zinc/37/46/36/185374636.db2.gz OHRNARVOMXJPQP-CQSZACIVSA-N 1 0 306.410 0.988 50 0 DCAARO Cc1nc(CCNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)cc(=O)[nH]1 ZINC000095525124 185377933 /nfs/dbraw/zinc/37/79/33/185377933.db2.gz OFGNQNWOYAUWAX-CYBMUJFWSA-N 1 0 306.410 0.857 50 0 DCAARO C[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)C[C@@H]1[NH+](C)C ZINC000078894735 185124389 /nfs/dbraw/zinc/12/43/89/185124389.db2.gz ONTWNBGLUXZOKG-FZMZJTMJSA-N 1 0 315.377 0.200 50 0 DCAARO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC000082083941 192354229 /nfs/dbraw/zinc/35/42/29/192354229.db2.gz VXHOCCHRZLDWRB-HUUCEWRRSA-N 1 0 312.373 0.986 50 0 DCAARO CC[C@@H](CO)[NH2+]C[C@H](O)COCc1ccc(OC)c(OC)c1 ZINC000006949337 190626226 /nfs/dbraw/zinc/62/62/26/190626226.db2.gz WKVXFLZYMPZSLW-KBPBESRZSA-N 1 0 313.394 0.942 50 0 DCAARO CO[C@H](C)CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000095395669 185352838 /nfs/dbraw/zinc/35/28/38/185352838.db2.gz TXFGVHIRZLVLRB-CYBMUJFWSA-N 1 0 306.410 0.988 50 0 DCAARO Cc1ccc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)nc1 ZINC000097015917 185397549 /nfs/dbraw/zinc/39/75/49/185397549.db2.gz DAVADFHRHASQIT-UHFFFAOYSA-N 1 0 312.439 0.057 50 0 DCAARO CNC(=O)NC(=O)CCC[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000069744598 190813393 /nfs/dbraw/zinc/81/33/93/190813393.db2.gz IXPMKFQBWSDTMA-UHFFFAOYSA-N 1 0 323.397 0.336 50 0 DCAARO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccn3nnnc3c2)C1 ZINC000071750175 191021707 /nfs/dbraw/zinc/02/17/07/191021707.db2.gz KRJJDMLACBJOAZ-LBPRGKRZSA-N 1 0 302.382 0.928 50 0 DCAARO O=C1CN(Cc2cc3n(n2)CC[NH2+]C3)CCN1C1CCCC1 ZINC000072131980 191044034 /nfs/dbraw/zinc/04/40/34/191044034.db2.gz BJMFHSSAQDISKZ-UHFFFAOYSA-N 1 0 303.410 0.573 50 0 DCAARO COc1ccc(C)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCOC1 ZINC000072133293 191044183 /nfs/dbraw/zinc/04/41/83/191044183.db2.gz QKZRLYNMULSTQP-GFCCVEGCSA-N 1 0 314.407 0.518 50 0 DCAARO Cc1noc2nc(C)cc(C(=O)N3CC[C@@](O)(C[NH+](C)C)C3)c12 ZINC000072174291 191070371 /nfs/dbraw/zinc/07/03/71/191070371.db2.gz LTWNNCNDBSSVKT-MRXNPFEDSA-N 1 0 318.377 0.978 50 0 DCAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)on1 ZINC000072268016 191090999 /nfs/dbraw/zinc/09/09/99/191090999.db2.gz LOQWVOYMFSUCGD-MWLCHTKSSA-N 1 0 304.354 0.815 50 0 DCAARO C[NH+](C)CC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000072270836 191094241 /nfs/dbraw/zinc/09/42/41/191094241.db2.gz TUHMZUFAJSIQRB-OAHLLOKOSA-N 1 0 321.421 0.132 50 0 DCAARO CC[C@@]1(O)CC[N@H+](CCCOc2ccc(C(N)=O)cc2)C[C@H]1O ZINC000072411950 191155269 /nfs/dbraw/zinc/15/52/69/191155269.db2.gz ZRSXPWRSTSUOPG-NVXWUHKLSA-N 1 0 322.405 0.762 50 0 DCAARO Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000072424336 191160181 /nfs/dbraw/zinc/16/01/81/191160181.db2.gz JOLDJDHSWNWUON-ZDUSSCGKSA-N 1 0 320.441 0.466 50 0 DCAARO COCCNc1nc2c(c(NC[C@@H]3CCOC3)n1)CC[NH2+]CC2 ZINC000072478627 191180284 /nfs/dbraw/zinc/18/02/84/191180284.db2.gz DZMJWZULTAVQRH-LBPRGKRZSA-N 1 0 321.425 0.672 50 0 DCAARO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236992203 202111741 /nfs/dbraw/zinc/11/17/41/202111741.db2.gz XSSHLAXIUWTWOQ-YPMHNXCESA-N 1 0 315.381 0.412 50 0 DCAARO Cc1ccc(-n2cc(S(=O)(=O)N3CC[C@@H]([NH3+])C3)cn2)cc1 ZINC000237834283 202366352 /nfs/dbraw/zinc/36/63/52/202366352.db2.gz WWXUNRJQUNOIHJ-GFCCVEGCSA-N 1 0 306.391 0.902 50 0 DCAARO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000237191961 283546832 /nfs/dbraw/zinc/54/68/32/283546832.db2.gz XJOBYIXJDIOFJB-QWHCGFSZSA-N 1 0 317.455 0.259 50 0 DCAARO O=C(C[NH+]1CCCCCC1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299779614 283814912 /nfs/dbraw/zinc/81/49/12/283814912.db2.gz PCVMALAEALOZCM-GJZGRUSLSA-N 1 0 319.409 0.826 50 0 DCAARO C[C@@H](c1ccncc1)N(C)C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000091425927 193053881 /nfs/dbraw/zinc/05/38/81/193053881.db2.gz SSYSPNLUJZELNH-LBPRGKRZSA-N 1 0 304.394 0.798 50 0 DCAARO [NH3+][C@H]1CN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C[C@@H]1CCO ZINC000091650072 193084729 /nfs/dbraw/zinc/08/47/29/193084729.db2.gz IUDSJWUFAUCFDA-HZMBPMFUSA-N 1 0 305.353 0.809 50 0 DCAARO C[C@H](NC(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccc(O)c(F)c1 ZINC000091645375 193085334 /nfs/dbraw/zinc/08/53/34/193085334.db2.gz HNZMSNGLBQWDSN-JTQLQIEISA-N 1 0 323.368 0.906 50 0 DCAARO Cc1cc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[NH2+]C3)C2)on1 ZINC000096482507 193664249 /nfs/dbraw/zinc/66/42/49/193664249.db2.gz COEDLTOUKDDPNF-STQMWFEESA-N 1 0 320.393 0.703 50 0 DCAARO NC(=O)NCc1cn(CC2CC[NH+]([C@@H]3CCSC3)CC2)nn1 ZINC000020406855 182215198 /nfs/dbraw/zinc/21/51/98/182215198.db2.gz WUMHKNMRODCMBH-CYBMUJFWSA-N 1 0 324.454 0.664 50 0 DCAARO Cc1ccn2c(c1)nc(O)c(C(=O)NCCC[NH+](C)C)c2=O ZINC000020356053 182211019 /nfs/dbraw/zinc/21/10/19/182211019.db2.gz GVRKBNIOCZJCHS-UHFFFAOYSA-N 1 0 304.350 0.390 50 0 DCAARO CCNC(=O)C(=O)NC[C@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766335 182333080 /nfs/dbraw/zinc/33/30/80/182333080.db2.gz YTDVZTILZMRZSS-CYBMUJFWSA-N 1 0 324.450 0.289 50 0 DCAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000022918052 182341133 /nfs/dbraw/zinc/34/11/33/182341133.db2.gz CGTSIPNCQIPFPD-OAHLLOKOSA-N 1 0 324.421 0.829 50 0 DCAARO Cc1cnc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cn1 ZINC000042578932 183286869 /nfs/dbraw/zinc/28/68/69/183286869.db2.gz BUXKPDFVPRIFPT-HNNXBMFYSA-N 1 0 305.426 0.787 50 0 DCAARO CCN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055308899 183978459 /nfs/dbraw/zinc/97/84/59/183978459.db2.gz UYDGUZPQNCQLQA-CQSZACIVSA-N 1 0 304.394 0.627 50 0 DCAARO Cn1ncc2c1nc(CN1CCC[N@@H+](C(C)(C)C)CC1)[nH]c2=O ZINC000065422849 184342292 /nfs/dbraw/zinc/34/22/92/184342292.db2.gz NZPRWIITBJURIO-UHFFFAOYSA-N 1 0 318.425 0.963 50 0 DCAARO Cn1ccn2ncc(C(=O)NC[C@@H](O)C[NH+]3CCCCCC3)c12 ZINC000065469028 184350538 /nfs/dbraw/zinc/35/05/38/184350538.db2.gz WMCSECOESYYZDP-CYBMUJFWSA-N 1 0 319.409 0.640 50 0 DCAARO COC(=O)CC[N@@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)CC(C)C ZINC000065404194 184338139 /nfs/dbraw/zinc/33/81/39/184338139.db2.gz UXEKBAUHZYORAB-UHFFFAOYSA-N 1 0 321.381 0.678 50 0 DCAARO O=C(CSc1nnnn1C1CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000065588742 184369502 /nfs/dbraw/zinc/36/95/02/184369502.db2.gz OQIWEECSMCRBHV-SECBINFHSA-N 1 0 308.411 0.453 50 0 DCAARO C[NH+](C)[C@@H](CNC(=O)Cn1cccnc1=O)c1cccs1 ZINC000065592682 184370587 /nfs/dbraw/zinc/37/05/87/184370587.db2.gz HGRXWDRIUIHXPZ-NSHDSACASA-N 1 0 306.391 0.724 50 0 DCAARO CC(C)CO[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000065516615 184358713 /nfs/dbraw/zinc/35/87/13/184358713.db2.gz DODXLEWPTBIEOH-KBPBESRZSA-N 1 0 313.442 0.751 50 0 DCAARO CCc1[nH+]c(N)nc(N2CCC[C@H](C(=O)NCCCO)C2)c1C ZINC000095377904 257272008 /nfs/dbraw/zinc/27/20/08/257272008.db2.gz ISPUTZZYYFRDQB-LBPRGKRZSA-N 1 0 321.425 0.645 50 0 DCAARO CC(C)C[NH+]1CCC(N[C@@H]2COCC[C@@H]2OCC(N)=O)CC1 ZINC000222566883 257274373 /nfs/dbraw/zinc/27/43/73/257274373.db2.gz UHRVEKTWLKRJGG-CABCVRRESA-N 1 0 313.442 0.356 50 0 DCAARO O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1CCCC[NH2+]1 ZINC000238023457 257237978 /nfs/dbraw/zinc/23/79/78/257237978.db2.gz GOVMAHLGLGKQRC-LBPRGKRZSA-N 1 0 322.409 0.499 50 0 DCAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000237257166 257239685 /nfs/dbraw/zinc/23/96/85/257239685.db2.gz YAJRBSFBEWEWCJ-SNVBAGLBSA-N 1 0 315.370 0.297 50 0 DCAARO Cc1cc(=O)c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cn1C ZINC000426621880 257245202 /nfs/dbraw/zinc/24/52/02/257245202.db2.gz YTFKCUPAOBWQQK-INIZCTEOSA-N 1 0 307.394 0.222 50 0 DCAARO Cn1c(SCCS(C)(=O)=O)nnc1[C@H]1CCC[NH2+]C1 ZINC000426621571 257245449 /nfs/dbraw/zinc/24/54/49/257245449.db2.gz GTSRZKFWUVCCJY-VIFPVBQESA-N 1 0 304.441 0.419 50 0 DCAARO O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@H]1CC[NH2+]C1 ZINC000426573094 257245785 /nfs/dbraw/zinc/24/57/85/257245785.db2.gz LLZBCUAYQNNDKC-QMMMGPOBSA-N 1 0 323.702 0.999 50 0 DCAARO CO[C@]12CC[N@H+](Cc3cncn3C)[C@H]1C[C@@H](OCCO)CC2 ZINC000426517792 257247432 /nfs/dbraw/zinc/24/74/32/257247432.db2.gz GFCRKVFGQWZWHS-HRCADAONSA-N 1 0 309.410 0.941 50 0 DCAARO C[C@@H](C(=O)N1CCN(c2ncc[nH]c2=O)CC1)[NH+]1CCCCC1 ZINC000426518335 257247986 /nfs/dbraw/zinc/24/79/86/257247986.db2.gz OCYQQZXVNYWKEO-ZDUSSCGKSA-N 1 0 319.409 0.293 50 0 DCAARO CN1CCN(C(=O)c2cccc(OCC[NH3+])c2)C[C@H]1CCO ZINC000426412718 257251124 /nfs/dbraw/zinc/25/11/24/257251124.db2.gz NTKLAFMHXRSQON-CQSZACIVSA-N 1 0 307.394 0.163 50 0 DCAARO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000071819759 184852051 /nfs/dbraw/zinc/85/20/51/184852051.db2.gz FMXVTWAFYSGBBJ-CYBMUJFWSA-N 1 0 316.361 0.212 50 0 DCAARO O=C1O[C@@H]2CN(c3ncccn3)C[C@@H]2N1CC[NH+]1CCCCC1 ZINC000012592403 395687843 /nfs/dbraw/zinc/68/78/43/395687843.db2.gz ILONXYDKEDJHEC-UONOGXRCSA-N 1 0 317.393 0.972 50 0 DCAARO COCCN1CCC[C@@](O)(C[NH2+]C2Cc3ccccc3C2)C1=O ZINC000012593124 395687902 /nfs/dbraw/zinc/68/79/02/395687902.db2.gz DTLUIMSLQNCGAT-GOSISDBHSA-N 1 0 318.417 0.743 50 0 DCAARO Cn1nc(NC[C@H](c2ccccc2)[NH+](C)C)c(=O)n(C)c1=O ZINC000012750345 395688004 /nfs/dbraw/zinc/68/80/04/395688004.db2.gz ZMLFLLQUBWHDGK-GFCCVEGCSA-N 1 0 303.366 0.194 50 0 DCAARO O=C(C[C@H]1[NH2+]CCC[C@H]1O)Cn1cnc2ccccc2c1=O ZINC000001571581 395681032 /nfs/dbraw/zinc/68/10/32/395681032.db2.gz FWVHWDSCPKXMDB-HUUCEWRRSA-N 1 0 301.346 0.469 50 0 biogenic,in-vitro DCAARO CC[NH+](CC)CCCNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000002499808 395681595 /nfs/dbraw/zinc/68/15/95/395681595.db2.gz NGQGIUBWDUBAIY-UHFFFAOYSA-N 1 0 319.471 0.506 50 0 DCAARO C[N@H+](CC(=O)NCC(=O)NCc1ccco1)[C@H]1CCSC1 ZINC000089337145 395710042 /nfs/dbraw/zinc/71/00/42/395710042.db2.gz ISAJKEZVXSBKIB-NSHDSACASA-N 1 0 311.407 0.449 50 0 DCAARO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc2nonc21 ZINC000089374953 395710597 /nfs/dbraw/zinc/71/05/97/395710597.db2.gz OLDDEZQYSDZBNN-JTQLQIEISA-N 1 0 310.379 0.795 50 0 DCAARO NC(=O)C1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000033018731 395716141 /nfs/dbraw/zinc/71/61/41/395716141.db2.gz SSRYENAZUVUFNB-AWEZNQCLSA-N 1 0 310.369 0.901 50 0 DCAARO CC1=CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000089919770 395716489 /nfs/dbraw/zinc/71/64/89/395716489.db2.gz LHCDUOIKVGTXDM-UHFFFAOYSA-N 1 0 303.366 0.086 50 0 DCAARO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC2(CC1)OCCO2 ZINC000026935284 395694665 /nfs/dbraw/zinc/69/46/65/395694665.db2.gz ZIBCJSAYNZKESG-NSHDSACASA-N 1 0 313.398 0.838 50 0 DCAARO Cc1nccn1Cc1nnc(C2CC[NH+](CCO)CC2)n1C ZINC000096136093 395745670 /nfs/dbraw/zinc/74/56/70/395745670.db2.gz OWICKJLLAORRAT-UHFFFAOYSA-N 1 0 304.398 0.540 50 0 DCAARO C[C@@H](CNS(=O)(=O)c1cccnc1)CN1CC[NH+](C)CC1 ZINC000096428373 395753286 /nfs/dbraw/zinc/75/32/86/395753286.db2.gz OQLGBWOGNUNJJA-ZDUSSCGKSA-N 1 0 312.439 0.243 50 0 DCAARO O=C(CN1CC[NH+]([C@@H]2CCSC2)CC1)NCC(F)(F)F ZINC000096468528 395753856 /nfs/dbraw/zinc/75/38/56/395753856.db2.gz UJSZICDNFCDXEI-SNVBAGLBSA-N 1 0 311.373 0.788 50 0 DCAARO CCNc1ncc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2CO)cn1 ZINC000097594829 395759450 /nfs/dbraw/zinc/75/94/50/395759450.db2.gz QJRDPUCWHPKZIQ-CQSZACIVSA-N 1 0 321.425 0.875 50 0 DCAARO Cc1n[nH]c(CCC(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000097766555 395760151 /nfs/dbraw/zinc/76/01/51/395760151.db2.gz STOAOIGHSHVVNM-ZDUSSCGKSA-N 1 0 321.425 0.273 50 0 DCAARO CN(C)c1cc(CSCc2cc(=O)n(C)c(=O)n2C)ccn1 ZINC000195566000 395831695 /nfs/dbraw/zinc/83/16/95/395831695.db2.gz UYSGHWWKXKWDLH-UHFFFAOYSA-N 1 0 320.418 0.978 50 0 DCAARO CCS(=O)(=O)N1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000219283080 395844647 /nfs/dbraw/zinc/84/46/47/395844647.db2.gz BIXLQRWZVPOTAO-ZDUSSCGKSA-N 1 0 316.427 0.034 50 0 DCAARO CCc1nnc(CNCc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)s1 ZINC000220218700 395848073 /nfs/dbraw/zinc/84/80/73/395848073.db2.gz OAAZAUGYGWKLPB-KYZUINATSA-N 1 0 307.427 0.724 50 0 DCAARO Cn1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1=O ZINC000051734930 395854025 /nfs/dbraw/zinc/85/40/25/395854025.db2.gz RPOAGNZAPDOSQR-CYBMUJFWSA-N 1 0 313.423 0.289 50 0 DCAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cnc(C2CC2)[nH]c1=O ZINC000223157233 395854104 /nfs/dbraw/zinc/85/41/04/395854104.db2.gz OPOJWSYOFAEROQ-GWNIPJSYSA-N 1 0 318.377 0.095 50 0 DCAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCNC(=O)C1 ZINC000122651830 395887952 /nfs/dbraw/zinc/88/79/52/395887952.db2.gz QCTLYGYVBDZCLB-HNNXBMFYSA-N 1 0 316.405 0.792 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(Cl)nc2)C1 ZINC000055383140 395917906 /nfs/dbraw/zinc/91/79/06/395917906.db2.gz UMYWZEYCYAJIFY-LLVKDONJSA-N 1 0 310.785 0.549 50 0 DCAARO NC(=O)CNCc1ccccc1OCCCC[NH+]1CCOCC1 ZINC000055358035 395917971 /nfs/dbraw/zinc/91/79/71/395917971.db2.gz VZLYILZWHOUVGK-UHFFFAOYSA-N 1 0 321.421 0.753 50 0 DCAARO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000229265050 395873717 /nfs/dbraw/zinc/87/37/17/395873717.db2.gz DILJFTNDIFEYAE-CMPLNLGQSA-N 1 0 307.419 0.829 50 0 DCAARO C[NH+](C)C[C@H]1CN(C[C@@H](O)COCc2ccccc2)CCO1 ZINC000229517139 395874686 /nfs/dbraw/zinc/87/46/86/395874686.db2.gz YUKYWKABRJISOK-SJORKVTESA-N 1 0 308.422 0.827 50 0 DCAARO O=C1CCCN1C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C1CCCCC1 ZINC000230190735 395879464 /nfs/dbraw/zinc/87/94/64/395879464.db2.gz UDGQOHDUCLNXRM-HRCADAONSA-N 1 0 310.438 0.985 50 0 DCAARO CCn1cnnc1CCNc1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000252536553 396022577 /nfs/dbraw/zinc/02/25/77/396022577.db2.gz IVWWYSZGSSSCLO-AOOOYVTPSA-N 1 0 302.386 0.530 50 0 DCAARO CC(=O)N1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000252678881 396024086 /nfs/dbraw/zinc/02/40/86/396024086.db2.gz HBFRUXBTZAHDGT-ARFHVFGLSA-N 1 0 323.437 0.303 50 0 DCAARO C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(C1CCOCC1)C2 ZINC000067447192 396026087 /nfs/dbraw/zinc/02/60/87/396026087.db2.gz VCZSWBKQGPSMOW-UHFFFAOYSA-N 1 0 321.425 0.169 50 0 DCAARO CC(C)(C[N@@H+]1CC[C@@H](CNC(=O)C(F)F)C1)N1CCOCC1 ZINC000067692693 396031311 /nfs/dbraw/zinc/03/13/11/396031311.db2.gz XFTSJFLSGRRUNN-LBPRGKRZSA-N 1 0 319.396 0.800 50 0 DCAARO COc1ccc(CCN2C(=O)O[C@@H]3CN(C(=O)C[NH3+])C[C@@H]32)cc1 ZINC000067804757 396034439 /nfs/dbraw/zinc/03/44/39/396034439.db2.gz TVVCCDWXJAQNRC-UONOGXRCSA-N 1 0 319.361 0.228 50 0 DCAARO OCCN1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000068049556 396043780 /nfs/dbraw/zinc/04/37/80/396043780.db2.gz IYVZFHXJIZYWIL-CYBMUJFWSA-N 1 0 300.424 0.236 50 0 DCAARO CC(C)N(C)C(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000069658239 396086437 /nfs/dbraw/zinc/08/64/37/396086437.db2.gz IVTOCDDLGLEFOP-UHFFFAOYSA-N 1 0 310.442 0.093 50 0 DCAARO O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2cccnc2)CC1 ZINC000069738787 396088207 /nfs/dbraw/zinc/08/82/07/396088207.db2.gz DIAFQYJEWUQBCK-UHFFFAOYSA-N 1 0 317.393 0.854 50 0 DCAARO CC[C@@H]1CN(CC(=O)NCc2ccccn2)CC[N@@H+]1CCOC ZINC000069842250 396091888 /nfs/dbraw/zinc/09/18/88/396091888.db2.gz UGEJHJYQTDEJGM-MRXNPFEDSA-N 1 0 320.437 0.740 50 0 DCAARO COc1cccc(C[N@H+](C)[C@H]2CCc3nn(C)c(=O)n3CC2)n1 ZINC000169783375 396092035 /nfs/dbraw/zinc/09/20/35/396092035.db2.gz TYRKJQNORLEYCS-ZDUSSCGKSA-N 1 0 317.393 0.822 50 0 DCAARO COc1ccccc1CNC(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000069844287 396092447 /nfs/dbraw/zinc/09/24/47/396092447.db2.gz OESQHUFATLYIBF-GXTWGEPZSA-N 1 0 319.405 0.897 50 0 DCAARO COCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000169790668 396093290 /nfs/dbraw/zinc/09/32/90/396093290.db2.gz HEIOMWJINFIPHZ-HZPDHXFCSA-N 1 0 305.422 0.811 50 0 DCAARO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)n2cccn2)CC1 ZINC000069920210 396094766 /nfs/dbraw/zinc/09/47/66/396094766.db2.gz FLKSVLMKQYOMQB-QLFBSQMISA-N 1 0 307.442 0.975 50 0 DCAARO c1nc2n(n1)C[C@@H]([NH2+]CCCc1nnnn1-c1ccccc1)CC2 ZINC000069951551 396096434 /nfs/dbraw/zinc/09/64/34/396096434.db2.gz MDBUMTGJOPSOBG-ZDUSSCGKSA-N 1 0 324.392 0.791 50 0 DCAARO O[C@H](C[NH2+]CCn1cccn1)COc1ccc2c(c1)OCO2 ZINC000070021256 396098383 /nfs/dbraw/zinc/09/83/83/396098383.db2.gz WEWBKRHBSHJJNW-GFCCVEGCSA-N 1 0 305.334 0.641 50 0 DCAARO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCN2C(=O)CNC2=O)n1 ZINC000070041023 396098786 /nfs/dbraw/zinc/09/87/86/396098786.db2.gz VFHIKAVKHMFYSK-CQSZACIVSA-N 1 0 319.409 0.906 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(Cl)cc(OC)c1 ZINC000071278643 396111624 /nfs/dbraw/zinc/11/16/24/396111624.db2.gz KKAGBDABESDKRL-JQWIXIFHSA-N 1 0 311.769 0.636 50 0 DCAARO COc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1OC ZINC000071397450 396113242 /nfs/dbraw/zinc/11/32/42/396113242.db2.gz ZDKKOEVMXOLKNM-SECBINFHSA-N 1 0 318.370 0.873 50 0 DCAARO CN(CCC(=O)N1CCC2(CC[NH2+]CC2)CC1)S(C)(=O)=O ZINC000071498955 396114222 /nfs/dbraw/zinc/11/42/22/396114222.db2.gz QWYAWKQMFPTCSN-UHFFFAOYSA-N 1 0 317.455 0.260 50 0 DCAARO O=C(C[C@@H]1C[NH2+]CCO1)NCc1cnn(Cc2ccccc2)c1 ZINC000071440180 396114470 /nfs/dbraw/zinc/11/44/70/396114470.db2.gz OAGIWSVLRWRPPW-MRXNPFEDSA-N 1 0 314.389 0.926 50 0 DCAARO CC[C@@H]1CN(C(=O)Cc2nc3nc(C)cc(C)n3n2)CC[NH2+]1 ZINC000071615252 396114518 /nfs/dbraw/zinc/11/45/18/396114518.db2.gz SVJSUTBRVSBIHM-GFCCVEGCSA-N 1 0 302.382 0.494 50 0 DCAARO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)CCO1 ZINC000071821635 396116434 /nfs/dbraw/zinc/11/64/34/396116434.db2.gz KOYIBBZIBQZFBJ-NSHDSACASA-N 1 0 306.366 0.508 50 0 DCAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000069329496 396074715 /nfs/dbraw/zinc/07/47/15/396074715.db2.gz QMDIJUMZMLTTPT-NSHDSACASA-N 1 0 300.428 0.319 50 0 DCAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 ZINC000069490157 396080432 /nfs/dbraw/zinc/08/04/32/396080432.db2.gz CNQXMHUVHUSANK-CQSZACIVSA-N 1 0 316.409 0.996 50 0 DCAARO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1cc(C)on1 ZINC000069592228 396083907 /nfs/dbraw/zinc/08/39/07/396083907.db2.gz OMQRWWYFBRDUAB-GHMZBOCLSA-N 1 0 304.354 0.896 50 0 DCAARO CCCn1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1=O ZINC000073991781 396154755 /nfs/dbraw/zinc/15/47/55/396154755.db2.gz BJMZQULRLPSSTC-OLZOCXBDSA-N 1 0 304.394 0.962 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C[C@H]1[NH+](C)C ZINC000076050479 396193892 /nfs/dbraw/zinc/19/38/92/396193892.db2.gz NMJIPBLNHQYBOE-GMTAPVOTSA-N 1 0 321.343 0.806 50 0 DCAARO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H](C)S1 ZINC000076087022 396195768 /nfs/dbraw/zinc/19/57/68/396195768.db2.gz COGPWVPAVZTIRY-FRRDWIJNSA-N 1 0 300.472 0.768 50 0 DCAARO Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CCOCC1 ZINC000079488701 396265663 /nfs/dbraw/zinc/26/56/63/396265663.db2.gz AKFDOKKBRPUDJE-UHFFFAOYSA-N 1 0 321.421 0.909 50 0 DCAARO O[C@]1(C[NH+]2CCCC2)COCCN(c2ncnc3c2CCC3)C1 ZINC000077423197 396222496 /nfs/dbraw/zinc/22/24/96/396222496.db2.gz PMWYXTMNAGUYOL-KRWDZBQOSA-N 1 0 318.421 0.629 50 0 DCAARO CCn1nc(C)c(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)c1C ZINC000077470375 396223376 /nfs/dbraw/zinc/22/33/76/396223376.db2.gz KZPUUPOTDKGOQG-UHFFFAOYSA-N 1 0 305.382 0.694 50 0 DCAARO CSCc1nc(CC[NH2+]C[C@]2(O)CNCCOC2)cs1 ZINC000077488666 396223989 /nfs/dbraw/zinc/22/39/89/396223989.db2.gz FGSZFOHHUYMQDM-ZDUSSCGKSA-N 1 0 317.480 0.489 50 0 DCAARO O=C1N(C[C@@H]2COCCO2)c2ccccc2NC12CC[NH2+]CC2 ZINC000082091821 396310764 /nfs/dbraw/zinc/31/07/64/396310764.db2.gz WRZIHJVBYQFMCM-CYBMUJFWSA-N 1 0 317.389 0.983 50 0 DCAARO C[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000269226742 396396974 /nfs/dbraw/zinc/39/69/74/396396974.db2.gz AFBOLALBSADOMA-NSHDSACASA-N 1 0 317.393 0.426 50 0 DCAARO CCc1noc(CCNC(=O)C[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000584885471 396632594 /nfs/dbraw/zinc/63/25/94/396632594.db2.gz SFGABHYDXQVTKH-LBPRGKRZSA-N 1 0 310.398 0.790 50 0 DCAARO CN(CC(=O)NCCSc1ccccn1)C1CC[NH2+]CC1 ZINC000584897031 396635751 /nfs/dbraw/zinc/63/57/51/396635751.db2.gz ZEPWQSZPJFDQHA-UHFFFAOYSA-N 1 0 308.451 0.974 50 0 DCAARO Cc1nc(C(F)(F)F)ncc1CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000584897752 396635870 /nfs/dbraw/zinc/63/58/70/396635870.db2.gz RMBSCCAQZXXIQB-QWRGUYRKSA-N 1 0 304.316 0.911 50 0 DCAARO CN(C(=O)[C@H]1CC12CC[NH2+]CC2)C1CCS(=O)(=O)CC1 ZINC000584903172 396637254 /nfs/dbraw/zinc/63/72/54/396637254.db2.gz PPOVYUDGWJSYNZ-GFCCVEGCSA-N 1 0 300.424 0.412 50 0 DCAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000299750174 396714354 /nfs/dbraw/zinc/71/43/54/396714354.db2.gz MRTDGBDRDRTVMV-OWCLPIDISA-N 1 0 304.390 0.963 50 0 DCAARO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000052961049 415317986 /nfs/dbraw/zinc/31/79/86/415317986.db2.gz DILJFTNDIFEYAE-PWSUYJOCSA-N 1 0 307.419 0.829 50 0 DCAARO CC[C@@H]1CN(CC(=O)NCC(F)(F)F)CC[N@@H+]1CCOC ZINC000069840607 415399564 /nfs/dbraw/zinc/39/95/64/415399564.db2.gz BBCAEISVRNIBFA-LLVKDONJSA-N 1 0 311.348 0.708 50 0 DCAARO CC[C@@H]1CN(CCCS(=O)(=O)N(C)C)CC[N@@H+]1CCOC ZINC000070016632 415405658 /nfs/dbraw/zinc/40/56/58/415405658.db2.gz WEAWXGIVKXKJFI-CQSZACIVSA-N 1 0 321.487 0.311 50 0 DCAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000067541341 415379023 /nfs/dbraw/zinc/37/90/23/415379023.db2.gz MDIIXXISQNHVQT-HOTGVXAUSA-N 1 0 313.405 0.579 50 0 DCAARO O=C1Nc2ccccc2NC12CC[NH+](CCOCCO)CC2 ZINC000082158481 415487602 /nfs/dbraw/zinc/48/76/02/415487602.db2.gz BMQAFQOTPMZRTD-UHFFFAOYSA-N 1 0 305.378 0.894 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000075133593 415436468 /nfs/dbraw/zinc/43/64/68/415436468.db2.gz RTCBBWZMXBCWDX-CHWSQXEVSA-N 1 0 308.382 0.014 50 0 DCAARO O=C(Cn1cnnn1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095383004 415559067 /nfs/dbraw/zinc/55/90/67/415559067.db2.gz DTVISKILIKLLGF-ZIAGYGMSSA-N 1 0 304.398 0.396 50 0 DCAARO CN1C[C@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000095954274 415565531 /nfs/dbraw/zinc/56/55/31/415565531.db2.gz JZVUSLIQIOEYKA-CYBMUJFWSA-N 1 0 316.405 0.641 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)Cn2cccn2)C1 ZINC000107573679 415666394 /nfs/dbraw/zinc/66/63/94/415666394.db2.gz MITDBDPRNMGZKN-CABCVRRESA-N 1 0 323.441 0.928 50 0 DCAARO Cc1cc(=O)[nH]c(C)c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000299757937 416064203 /nfs/dbraw/zinc/06/42/03/416064203.db2.gz INUQDFWJEHUZNI-UHFFFAOYSA-N 1 0 307.394 0.981 50 0 DCAARO C[C@@H](Cn1cncn1)NC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000299755573 416064423 /nfs/dbraw/zinc/06/44/23/416064423.db2.gz AFJRCDNNKISKFR-ZDUSSCGKSA-N 1 0 321.425 0.674 50 0 DCAARO COc1cccc(N2CCN(C(=O)[C@@H]3C=CC[NH2+]3)CC2=O)c1 ZINC000299772426 416065314 /nfs/dbraw/zinc/06/53/14/416065314.db2.gz XHUXVPJBRFZEJX-AWEZNQCLSA-N 1 0 301.346 0.398 50 0 DCAARO O=C(CCn1cc(Cl)cn1)NCC[N@H+]1CCCC[C@H]1CO ZINC000299778295 416067535 /nfs/dbraw/zinc/06/75/35/416067535.db2.gz GYZUOHNGOUSYTF-ZDUSSCGKSA-N 1 0 314.817 0.890 50 0 DCAARO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000171164359 416037775 /nfs/dbraw/zinc/03/77/75/416037775.db2.gz XUSPAQCADCUQCS-AWEZNQCLSA-N 1 0 318.425 0.793 50 0 DCAARO C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H]1c1ccccc1 ZINC000253429238 416334787 /nfs/dbraw/zinc/33/47/87/416334787.db2.gz CFAJEATXCGMQMR-YOEHRIQHSA-N 1 0 317.389 0.407 50 0 DCAARO C[C@H](CN1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccc(F)cc1 ZINC000195573051 416326819 /nfs/dbraw/zinc/32/68/19/416326819.db2.gz HOYVCXUCIRCGPE-BXUZGUMPSA-N 1 0 305.353 0.572 50 0 DCAARO CCCNc1ncc(CN2CCN3CC[N@H+](C)C[C@@H]3C2)cn1 ZINC000215179391 416327177 /nfs/dbraw/zinc/32/71/77/416327177.db2.gz QZLFERIXCXCCIW-OAHLLOKOSA-N 1 0 304.442 0.730 50 0 DCAARO O=C(COc1ccc(CN2CC(O)C2)cc1)N1CCOCC1 ZINC000215550140 416327228 /nfs/dbraw/zinc/32/72/28/416327228.db2.gz YPRDNPWIODILSW-UHFFFAOYSA-N 1 0 306.362 0.101 50 0 DCAARO CC(C)(CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000236695332 416328130 /nfs/dbraw/zinc/32/81/30/416328130.db2.gz WNKDNXDXOCBPJK-QWHCGFSZSA-N 1 0 320.389 0.574 50 0 DCAARO COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N(C)C ZINC000237261442 416328305 /nfs/dbraw/zinc/32/83/05/416328305.db2.gz PLCUYHBXWUFEPZ-BNOWGMLFSA-N 1 0 307.394 0.137 50 0 DCAARO O=C(N[C@H]1CCN(c2ccccc2F)C1=O)[C@@H]1C[NH2+]CCO1 ZINC000237852393 416328895 /nfs/dbraw/zinc/32/88/95/416328895.db2.gz SWTBPNFXIQIQRL-AAEUAGOBSA-N 1 0 307.325 0.036 50 0 DCAARO CN(CCCc1nccn1C)C(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000244633470 416330568 /nfs/dbraw/zinc/33/05/68/416330568.db2.gz GDPFVCSQAXGGFO-CQSZACIVSA-N 1 0 307.442 0.447 50 0 DCAARO COCCN(C)c1ccc(C[NH2+][C@@H](C)CN2CCOCC2)cn1 ZINC000241926412 416330580 /nfs/dbraw/zinc/33/05/80/416330580.db2.gz UGACESBRRJCQRQ-HNNXBMFYSA-N 1 0 322.453 0.975 50 0 DCAARO C[C@H](C[NH+]1CCC(c2nnc(CO)n2C)CC1)N1CCOCC1 ZINC000244716170 416330683 /nfs/dbraw/zinc/33/06/83/416330683.db2.gz LJTWWPWZRRXTAH-CYBMUJFWSA-N 1 0 323.441 0.208 50 0 DCAARO Cc1nonc1OCCNc1cc([C@H]2C[C@H]([NH3+])C2)nc(N)n1 ZINC000244718851 416330875 /nfs/dbraw/zinc/33/08/75/416330875.db2.gz LSAZVBSENHLZJO-KYZUINATSA-N 1 0 305.342 0.446 50 0 DCAARO CC(C)C[N@@H+]1CCN(CC(=O)Nc2ccn(C)n2)C[C@@H]1CCO ZINC000244748629 416330880 /nfs/dbraw/zinc/33/08/80/416330880.db2.gz OLMCPTBYPZAJSJ-AWEZNQCLSA-N 1 0 323.441 0.383 50 0 DCAARO O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299753273 229397703 /nfs/dbraw/zinc/39/77/03/229397703.db2.gz XORNBRHWVNNRCF-GJZGRUSLSA-N 1 0 300.362 0.270 50 0 DCAARO CN(C)c1nc(N[C@@H]2CC[NH2+]C[C@H]2O)cc(C(F)(F)F)n1 ZINC000077519224 273823891 /nfs/dbraw/zinc/82/38/91/273823891.db2.gz LXNFUJXPSMTLDJ-HTQZYQBOSA-N 1 0 305.304 0.696 50 0 DCAARO [NH2+]=C1c2c(cc(=O)n3c2N[C@@H]2C=CC=C[C@@H]23)CN1Cc1ccco1 ZINC000057940734 274943463 /nfs/dbraw/zinc/94/34/63/274943463.db2.gz QGXREZRGNJJXHS-KGLIPLIRSA-N 1 0 320.352 0.150 50 0 DCAARO CC(C)(CNC(=O)C(=O)N1CCSCC1)[NH+]1CCCCC1 ZINC000241946742 275860145 /nfs/dbraw/zinc/86/01/45/275860145.db2.gz UNNPAEDBINNVDE-UHFFFAOYSA-N 1 0 313.467 0.943 50 0 DCAARO C[C@@H](Cn1cccn1)C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067840034 277594542 /nfs/dbraw/zinc/59/45/42/277594542.db2.gz NDVIGMAGNJURFV-HNNXBMFYSA-N 1 0 319.453 0.758 50 0 DCAARO C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCC2(CC1)OCCO2 ZINC000040501324 279209049 /nfs/dbraw/zinc/20/90/49/279209049.db2.gz JITGPBPQYONKQN-MGPQQGTHSA-N 1 0 312.410 0.850 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN([C@H](C(N)=O)c2ccc(F)cc2)C[C@H]1C ZINC000247229613 290117226 /nfs/dbraw/zinc/11/72/26/290117226.db2.gz RDAFNZFGVMKGIS-XUJVJEKNSA-N 1 0 309.385 0.739 50 0 DCAARO O=C1C[C@H]([NH2+][C@@H]2CCCOCC2)CN1CCN1CCOCC1 ZINC000329137410 304648379 /nfs/dbraw/zinc/64/83/79/304648379.db2.gz DGZCHSBGMIXNAM-CABCVRRESA-N 1 0 311.426 0.078 50 0 DCAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2CO)C[C@H](C)O1 ZINC000092028584 332117838 /nfs/dbraw/zinc/11/78/38/332117838.db2.gz XRDUWRBHMYBGJL-OCVGTWLNSA-N 1 0 310.438 0.963 50 0 DCAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCC(=O)NC(=O)N1 ZINC000534631713 334307520 /nfs/dbraw/zinc/30/75/20/334307520.db2.gz MPZMMJVWNINZMY-LBPRGKRZSA-N 1 0 324.425 0.745 50 0 DCAARO O=S(=O)(NC[C@@]1(O)CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000534640189 334311144 /nfs/dbraw/zinc/31/11/44/334311144.db2.gz FYLVQAVFFORLNS-SNVBAGLBSA-N 1 0 310.828 0.794 50 0 DCAARO CN(C)C(=O)c1cncc(N2CCC3(CC2)C[NH2+]CCO3)n1 ZINC000534649903 334311311 /nfs/dbraw/zinc/31/13/11/334311311.db2.gz IJKXLKWYYOODJF-UHFFFAOYSA-N 1 0 305.382 0.137 50 0 DCAARO COc1ccc(CNC(=O)CN2C[C@@H]3CC[NH2+][C@@H]3C2)cc1OC ZINC000534655072 334313566 /nfs/dbraw/zinc/31/35/66/334313566.db2.gz IZIAQYKQTZJJPA-UONOGXRCSA-N 1 0 319.405 0.614 50 0 DCAARO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(S(=O)(=O)c1ccc3[nH]cnc3c1)C2 ZINC000534656582 334314154 /nfs/dbraw/zinc/31/41/54/334314154.db2.gz BCKOQXSXKBHOTA-WDAIWFPHSA-N 1 0 306.391 0.921 50 0 DCAARO C[N@H+](CCO)CCNC(=O)N(Cc1ccc(O)cc1)C1CC1 ZINC000534656786 334314285 /nfs/dbraw/zinc/31/42/85/334314285.db2.gz LHVPQYHVPMULDI-UHFFFAOYSA-N 1 0 307.394 0.990 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@H](C)C2)ccc1F ZINC000188457296 522262484 /nfs/dbraw/zinc/26/24/84/522262484.db2.gz LCQIEQGFSAJMTI-SECBINFHSA-N 1 0 315.370 0.168 50 0 DCAARO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1c(Cl)cnn1C)CC2 ZINC000132119217 523229165 /nfs/dbraw/zinc/22/91/65/523229165.db2.gz DAIDFFIQLLPCRK-VIFPVBQESA-N 1 0 310.789 0.916 50 0 DCAARO C[C@@H]1CN(c2ccc(C(=O)N3CC[NH2+]CC3)cn2)C[C@@H](C)O1 ZINC000237439514 525063731 /nfs/dbraw/zinc/06/37/31/525063731.db2.gz XVDDEMITEDWXEH-CHWSQXEVSA-N 1 0 304.394 0.741 50 0 DCAARO Cn1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1=O ZINC000084321542 545700822 /nfs/dbraw/zinc/70/08/22/545700822.db2.gz JOIGLWJGCTVLTM-KBPBESRZSA-N 1 0 305.378 0.057 50 0 DCAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCCN1CCCCC1=O ZINC000670447579 547094603 /nfs/dbraw/zinc/09/46/03/547094603.db2.gz ZBHYZPJOXMVUAR-CQSZACIVSA-N 1 0 310.442 0.141 50 0 DCAARO O=c1oc2ccccc2n1CCN1CCN2C(=O)OC[C@H]2C1 ZINC000670464125 547098893 /nfs/dbraw/zinc/09/88/93/547098893.db2.gz AEVFAORKIGSJQP-LLVKDONJSA-N 1 0 303.318 0.731 50 0 DCAARO COC(=O)[C@@H](Cc1ccc(N2CC[NH+](C)CC2)cc1)NC(C)=O ZINC000169805423 568414431 /nfs/dbraw/zinc/41/44/31/568414431.db2.gz KWAUUVCWNJQLCT-MRXNPFEDSA-N 1 0 319.405 0.659 50 0 DCAARO CN(C)C(=O)[C@](C)(NC[C@@H](O)C[N@H+](C)C1CC1)C(F)(F)F ZINC000888095789 661168613 /nfs/dbraw/zinc/16/86/13/661168613.db2.gz WAMDSSRYLYBZHT-PWSUYJOCSA-N 1 0 311.348 0.440 50 0 DCAARO CCn1cc(S(=O)(=O)N[C@H]2C[N@H+](CC)CC2(C)C)cn1 ZINC000952993512 665873116 /nfs/dbraw/zinc/87/31/16/665873116.db2.gz NWHLBJRNPXOCIM-LBPRGKRZSA-N 1 0 300.428 0.912 50 0 DCAARO C[C@@H]1CN(CC[NH+]2CCC(c3ccnn3CCO)CC2)CCO1 ZINC000191469426 662708770 /nfs/dbraw/zinc/70/87/70/662708770.db2.gz PAUJCQBDWODPFE-OAHLLOKOSA-N 1 0 322.453 0.776 50 0 DCAARO CN(Cc1nc2ccccc2n1C)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000067726211 662850757 /nfs/dbraw/zinc/85/07/57/662850757.db2.gz KPDQSPWQSJHHRD-LBPRGKRZSA-N 1 0 312.377 0.825 50 0 DCAARO O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)N1CCCO1 ZINC000012030963 666304681 /nfs/dbraw/zinc/30/46/81/666304681.db2.gz OLOPGNFNSWYTGL-CQSZACIVSA-N 1 0 303.362 0.541 50 0 DCAARO O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)N1CCCO1 ZINC000012030961 666304800 /nfs/dbraw/zinc/30/48/00/666304800.db2.gz OLOPGNFNSWYTGL-AWEZNQCLSA-N 1 0 303.362 0.541 50 0 DCAARO Cc1cccn(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1=O ZINC000186886552 666606910 /nfs/dbraw/zinc/60/69/10/666606910.db2.gz MTAURHUVVBDPQM-AWEZNQCLSA-N 1 0 321.421 0.460 50 0 DCAARO C[C@@H](c1nccs1)N(C)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952963556 685598201 /nfs/dbraw/zinc/59/82/01/685598201.db2.gz KSIQHAUJERPINB-QWRGUYRKSA-N 1 0 310.423 0.860 50 0 DCAARO CC[NH+]1CCN(CC(=O)NC[C@H]2CC[C@H](C(=O)NC)CC2)CC1 ZINC000952970630 685599903 /nfs/dbraw/zinc/59/99/03/685599903.db2.gz FBJAYJJXUITLAR-SHTZXODSSA-N 1 0 324.469 0.293 50 0 DCAARO CCN1CCn2c(C)nc(C(=O)N[C@@H]3CC[C@@H]([NH3+])C3)c2C1=O ZINC000067473328 685069723 /nfs/dbraw/zinc/06/97/23/685069723.db2.gz WLGTWOMBRAQRKM-GHMZBOCLSA-N 1 0 305.382 0.277 50 0 DCAARO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N(CCO)Cc1ncc[nH]1 ZINC001772701549 1157840608 /nfs/dbraw/zinc/84/06/08/1157840608.db2.gz NOFFQPHDJAYLEI-ZDUSSCGKSA-N 1 0 304.350 0.006 50 0 DCAARO O=C(C[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1)NCCc1ccccc1 ZINC001772704785 1157842618 /nfs/dbraw/zinc/84/26/18/1157842618.db2.gz FGWXYCUYZOPUDS-SJLPKXTDSA-N 1 0 318.417 0.676 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc3n[nH]nc3c1)C2 ZINC001704310290 1179969034 /nfs/dbraw/zinc/96/90/34/1179969034.db2.gz QYSOMFNHTMLEMX-JQWIXIFHSA-N 1 0 301.350 0.361 50 0 DCAARO O=C1N[C@@H]2COC[C@H]1C[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC001704332490 1179976670 /nfs/dbraw/zinc/97/66/70/1179976670.db2.gz XUKUWIIALLBJIK-CABCVRRESA-N 1 0 312.373 0.819 50 0 DCAARO C[C@H](CCC(=O)N(C)Cc1nncn1C)[NH+]1CCN(C)CC1 ZINC000823789388 758275333 /nfs/dbraw/zinc/27/53/33/758275333.db2.gz KJFKBYBVQIYCTR-CYBMUJFWSA-N 1 0 308.430 0.190 50 0 DCAARO C[NH+]1CCN([C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000823789278 758275401 /nfs/dbraw/zinc/27/54/01/758275401.db2.gz BUIJSWRDIZOUOM-INIZCTEOSA-N 1 0 323.462 0.838 50 0 DCAARO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCC1CC[NH+](C)CC1 ZINC000824499118 758777763 /nfs/dbraw/zinc/77/77/63/758777763.db2.gz CGYUEEKBVRFUEO-CHWSQXEVSA-N 1 0 318.439 0.037 50 0 DCAARO Nc1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc(N2CCOCC2)n1 ZINC000827587277 758869835 /nfs/dbraw/zinc/86/98/35/758869835.db2.gz YAQZKNFTWCGXHC-LBPRGKRZSA-N 1 0 318.425 0.792 50 0 DCAARO O=C(NCc1ccc2c(c1)CCCO2)NC[C@@H]1C[NH2+]CCO1 ZINC000828027278 758917172 /nfs/dbraw/zinc/91/71/72/758917172.db2.gz FIUFULJCQNQTNT-AWEZNQCLSA-N 1 0 305.378 0.799 50 0 DCAARO Cc1cccc(N2CCC(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)c1 ZINC000828901678 759117883 /nfs/dbraw/zinc/11/78/83/759117883.db2.gz KJBIRVHTTYOZFD-HZPDHXFCSA-N 1 0 303.406 0.803 50 0 DCAARO Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000585115031 766284281 /nfs/dbraw/zinc/28/42/81/766284281.db2.gz JNYXTGZLLAJEBG-OLZOCXBDSA-N 1 0 312.439 0.609 50 0 DCAARO C[C@H]([NH2+]CC1(O)CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCOC1 ZINC000585117074 766285733 /nfs/dbraw/zinc/28/57/33/766285733.db2.gz QKILWMWRLMYYOT-NWDGAFQWSA-N 1 0 300.399 0.983 50 0 DCAARO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CN(C)S(C)(=O)=O ZINC000585126159 766288932 /nfs/dbraw/zinc/28/89/32/766288932.db2.gz QNZSRGZOSSRISJ-CHWSQXEVSA-N 1 0 319.471 0.599 50 0 DCAARO O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000952848784 768911300 /nfs/dbraw/zinc/91/13/00/768911300.db2.gz JQTYHVZCROTZMZ-ZJUUUORDSA-N 1 0 319.327 0.608 50 0 DCAARO O=C(CCN1CCCCCC1=O)N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001506409513 1017259192 /nfs/dbraw/zinc/25/91/92/1017259192.db2.gz RGXLSYUNJMHBLH-CQSZACIVSA-N 1 0 323.437 0.806 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C[C@H]1O ZINC000082108812 192357180 /nfs/dbraw/zinc/35/71/80/192357180.db2.gz RXEOUIUOBFZDBP-BXUZGUMPSA-N 1 0 304.325 0.750 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C(C)C)[nH]c1=O ZINC000067820840 190725107 /nfs/dbraw/zinc/72/51/07/190725107.db2.gz MVAGVFPCUXEOCZ-MFKMUULPSA-N 1 0 320.393 0.176 50 0 DCAARO [NH3+]C1CN(c2ncnc3c2CCN(C(=O)c2cccnc2)C3)C1 ZINC000071753765 191023294 /nfs/dbraw/zinc/02/32/94/191023294.db2.gz CNDDPHQQKYGBTN-UHFFFAOYSA-N 1 0 310.361 0.217 50 0 DCAARO COc1coc(C(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)cc1=O ZINC000072123919 191041581 /nfs/dbraw/zinc/04/15/81/191041581.db2.gz BNZJNOLIWNPPME-MRXNPFEDSA-N 1 0 324.377 0.567 50 0 DCAARO NC(=O)[C@@H]1CCCN(c2nc(-c3ccncc3)nc3c2C[NH2+]C3)C1 ZINC000072132990 191044577 /nfs/dbraw/zinc/04/45/77/191044577.db2.gz PXFHTGUSTBQTFU-GFCCVEGCSA-N 1 0 324.388 0.844 50 0 DCAARO C[C@@H](Cn1cccn1)[NH2+]CC(=O)NCC(C)(C)N1CCOCC1 ZINC000072267726 191091497 /nfs/dbraw/zinc/09/14/97/191091497.db2.gz VAOSWUACPUQTBH-AWEZNQCLSA-N 1 0 323.441 0.088 50 0 DCAARO COCC[C@H](CO)NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000225585072 186280407 /nfs/dbraw/zinc/28/04/07/186280407.db2.gz YFQDUVWOVLNMGY-CHWSQXEVSA-N 1 0 301.431 0.803 50 0 DCAARO c1cn(CCNc2nc(NC3CC3)nc3c2CC[NH2+]CC3)nn1 ZINC000072462765 191173530 /nfs/dbraw/zinc/17/35/30/191173530.db2.gz VDJQSTGYVVOGHZ-UHFFFAOYSA-N 1 0 314.397 0.443 50 0 DCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3cscn3)CC[C@H]21 ZINC000072477338 191179040 /nfs/dbraw/zinc/17/90/40/191179040.db2.gz FSMHGECYNFDZFT-WCQYABFASA-N 1 0 322.434 0.816 50 0 DCAARO CC(C)CCNC(=O)NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000003510246 181028416 /nfs/dbraw/zinc/02/84/16/181028416.db2.gz AJLQBTVLUGJASH-UHFFFAOYSA-N 1 0 312.399 0.605 50 0 DCAARO CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000237035085 202131173 /nfs/dbraw/zinc/13/11/73/202131173.db2.gz RJGMXSSXFYCBKW-KBPBESRZSA-N 1 0 321.352 0.378 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000237350414 202241441 /nfs/dbraw/zinc/24/14/41/202241441.db2.gz MMKZFBAOTNFHDB-ZCRIDZFUSA-N 1 0 323.418 0.428 50 0 DCAARO O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262037880 238170362 /nfs/dbraw/zinc/17/03/62/238170362.db2.gz ZZAPOVCYRIEVFC-ZIAGYGMSSA-N 1 0 303.362 0.152 50 0 DCAARO CCn1cc(CN(C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)cn1 ZINC000244882785 202507030 /nfs/dbraw/zinc/50/70/30/202507030.db2.gz XZAFTSGUIQYIBP-JOCQHMNTSA-N 1 0 303.414 0.868 50 0 DCAARO Cc1csc(CCCNC(=O)C[NH+]2CCC(C(N)=O)CC2)n1 ZINC000091656660 193085873 /nfs/dbraw/zinc/08/58/73/193085873.db2.gz JSOWHMGNXJMQRT-UHFFFAOYSA-N 1 0 324.450 0.698 50 0 DCAARO NC(=O)[C@H]1CCC[N@H+](CCNC(=O)c2ccc3nccn3c2)C1 ZINC000091625193 193080363 /nfs/dbraw/zinc/08/03/63/193080363.db2.gz TUWOMXHNSBPIKW-LBPRGKRZSA-N 1 0 315.377 0.261 50 0 DCAARO CCC[C@H]1CN(C(=O)CCO)C[C@@H]1Nc1cc(C)[nH+]c(N)n1 ZINC000091620616 193080442 /nfs/dbraw/zinc/08/04/42/193080442.db2.gz FLORKQWSCKKJBQ-RYUDHWBXSA-N 1 0 307.398 0.789 50 0 DCAARO CC(C)c1cncnc1N1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091934068 193129003 /nfs/dbraw/zinc/12/90/03/193129003.db2.gz NIQUOOHMAKSOJF-ZIAGYGMSSA-N 1 0 308.426 0.569 50 0 DCAARO COCC[C@@H]1COCCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000253429373 202887579 /nfs/dbraw/zinc/88/75/79/202887579.db2.gz SBGCIYAKLDSGSM-OLZOCXBDSA-N 1 0 302.440 0.688 50 0 DCAARO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)S(C)(=O)=O ZINC000093526131 193264423 /nfs/dbraw/zinc/26/44/23/193264423.db2.gz CLXCLQAEWOPFRD-WOPDTQHZSA-N 1 0 302.440 0.847 50 0 DCAARO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000094345670 193363084 /nfs/dbraw/zinc/36/30/84/193363084.db2.gz XXUVFWNNUQGFQY-JQWIXIFHSA-N 1 0 312.391 0.734 50 0 DCAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1c2cc(C)nn2CCC1=O ZINC000015728555 182013798 /nfs/dbraw/zinc/01/37/98/182013798.db2.gz IZDSLCKGEIHOEO-CYBMUJFWSA-N 1 0 321.425 0.775 50 0 DCAARO Cc1ccc(S(=O)(=O)NC(C)(C)CN2CC[NH2+]CC2)cc1 ZINC000019832600 182154863 /nfs/dbraw/zinc/15/48/63/182154863.db2.gz FXHDZHGJOHMISQ-UHFFFAOYSA-N 1 0 311.451 0.957 50 0 DCAARO COCCN(C(=O)Cn1ccccc1=O)C1CC[NH+](C)CC1 ZINC000097636650 193741242 /nfs/dbraw/zinc/74/12/42/193741242.db2.gz YNAFGJCJNVYWOW-UHFFFAOYSA-N 1 0 307.394 0.418 50 0 DCAARO CCC(NCC[NH+](CC)CC)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000020332505 182208420 /nfs/dbraw/zinc/20/84/20/182208420.db2.gz QKBVEEIIGMTMSB-UHFFFAOYSA-N 1 0 310.398 0.632 50 0 DCAARO O=C(CN1CCC[C@@H](O)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020942017 182256205 /nfs/dbraw/zinc/25/62/05/182256205.db2.gz UPDHAVJZLGTVOX-IAGOWNOFSA-N 1 0 317.433 0.834 50 0 DCAARO COc1ccc(OC)c(CN2CC[NH+](CCC(N)=O)CC2)c1 ZINC000023255106 182354295 /nfs/dbraw/zinc/35/42/95/182354295.db2.gz ZNDMRVZUKPFTHE-UHFFFAOYSA-N 1 0 307.394 0.697 50 0 DCAARO CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000023387116 182359322 /nfs/dbraw/zinc/35/93/22/182359322.db2.gz MMUCWAFWKHUWKN-HNNXBMFYSA-N 1 0 320.389 0.826 50 0 DCAARO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000040268683 183050068 /nfs/dbraw/zinc/05/00/68/183050068.db2.gz OAIWAGJOVPMWJP-UHFFFAOYSA-N 1 0 304.272 0.717 50 0 DCAARO CSCC[C@H]([NH3+])C(=O)N1CCN(c2nccs2)CC1 ZINC000040458247 183069061 /nfs/dbraw/zinc/06/90/61/183069061.db2.gz PDNXWUYPXFFTLZ-JTQLQIEISA-N 1 0 300.453 0.872 50 0 DCAARO CCc1nnsc1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000042542050 183283078 /nfs/dbraw/zinc/28/30/78/183283078.db2.gz UOXJJKDLOMIYHR-UHFFFAOYSA-N 1 0 311.455 0.856 50 0 DCAARO O=C([C@@H]1C[NH2+]CCO1)N1CCN(c2ccccc2Cl)CC1 ZINC000043707869 183382886 /nfs/dbraw/zinc/38/28/86/183382886.db2.gz GXLVQVKNNFDGHN-AWEZNQCLSA-N 1 0 309.797 0.977 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2cnn(C)c2)C1 ZINC000043820973 183386494 /nfs/dbraw/zinc/38/64/94/183386494.db2.gz QNKMCTJDYIKDPW-HNNXBMFYSA-N 1 0 323.441 0.619 50 0 DCAARO CN1CCN2CC[N@H+](CCOCc3ccccc3)C[C@H]2C1=O ZINC000106255609 194192674 /nfs/dbraw/zinc/19/26/74/194192674.db2.gz HUJRGRUJFSYJAU-INIZCTEOSA-N 1 0 303.406 0.661 50 0 DCAARO CC(C)[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1cnn(C)c1 ZINC000055919903 184000898 /nfs/dbraw/zinc/00/08/98/184000898.db2.gz JNZYRKWLQOUYAP-UHFFFAOYSA-N 1 0 307.398 0.961 50 0 DCAARO CC(C)c1nc(CCN(C)C(=O)CN2CCC[N@H+](C)CC2)no1 ZINC000065386269 184333172 /nfs/dbraw/zinc/33/31/72/184333172.db2.gz YVSGLLAAQFZSRH-UHFFFAOYSA-N 1 0 323.441 0.831 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)NCCSc2ccccn2)CC1 ZINC000065373522 184330557 /nfs/dbraw/zinc/33/05/57/184330557.db2.gz RXMJRMKNPGEODU-UHFFFAOYSA-N 1 0 308.451 0.927 50 0 DCAARO Cc1cc(C)n(CC[NH2+][C@@H](C)C(=O)Nc2nccs2)c(=O)n1 ZINC000065432898 184343985 /nfs/dbraw/zinc/34/39/85/184343985.db2.gz KVXGJTPTMHNFAE-NSHDSACASA-N 1 0 321.406 0.933 50 0 DCAARO O=C(NCCc1cccnc1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065455599 184347590 /nfs/dbraw/zinc/34/75/90/184347590.db2.gz VHOPVHGVYLUTQL-CQSZACIVSA-N 1 0 314.393 0.645 50 0 DCAARO CCNC(=O)COc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000065624358 184375355 /nfs/dbraw/zinc/37/53/55/184375355.db2.gz VNULVCNQJWVMBE-INIZCTEOSA-N 1 0 321.421 0.622 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(n2cnnn2)CCCCC1 ZINC000095476415 285285136 /nfs/dbraw/zinc/28/51/36/285285136.db2.gz RGEWARDOQTUXRK-ZDUSSCGKSA-N 1 0 306.414 0.933 50 0 DCAARO Cc1cc(N)n(CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000222566284 257274357 /nfs/dbraw/zinc/27/43/57/257274357.db2.gz WGPLLJBPYNSMKT-AWEZNQCLSA-N 1 0 321.425 0.533 50 0 DCAARO Nc1ncccc1CNC(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426739664 257243611 /nfs/dbraw/zinc/24/36/11/257243611.db2.gz HBGHVEGFAXLLSH-GFCCVEGCSA-N 1 0 314.393 0.644 50 0 DCAARO CC[N@@H+]1CCC[C@@](C)(C(=O)N2CCN(c3nc[nH]n3)CC2)C1 ZINC000426700091 257244174 /nfs/dbraw/zinc/24/41/74/257244174.db2.gz SLJSVWNVQTWIIK-OAHLLOKOSA-N 1 0 306.414 0.575 50 0 DCAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cncc(=O)[nH]1 ZINC000426596675 257245764 /nfs/dbraw/zinc/24/57/64/257245764.db2.gz WXPLYGBRGUSLAI-CQSZACIVSA-N 1 0 312.373 0.899 50 0 DCAARO Cc1cc(CNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)on1 ZINC000426598835 257245917 /nfs/dbraw/zinc/24/59/17/257245917.db2.gz ILSYZWRTHVLJQN-GFCCVEGCSA-N 1 0 303.366 0.963 50 0 DCAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCCn1ccnn1 ZINC000426589064 257246325 /nfs/dbraw/zinc/24/63/25/257246325.db2.gz OXFGGWVFOLDGFL-ZDUSSCGKSA-N 1 0 317.397 0.148 50 0 DCAARO C[C@H](NC(=O)c1cc(F)ccc1OCC[NH3+])c1nncn1C ZINC000426361911 257253133 /nfs/dbraw/zinc/25/31/33/257253133.db2.gz IMLYELDTGFAVMW-VIFPVBQESA-N 1 0 307.329 0.783 50 0 DCAARO CC(C)C[C@H](CNC(=O)[C@@H](C)n1cncn1)N1CCOCC1 ZINC000045236565 257269916 /nfs/dbraw/zinc/26/99/16/257269916.db2.gz BTXNTSMGEKCPLT-ZIAGYGMSSA-N 1 0 309.414 0.702 50 0 DCAARO CC[NH2+]CC1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000250175354 285586291 /nfs/dbraw/zinc/58/62/91/285586291.db2.gz KCJBAYNIOPKLPJ-CHWSQXEVSA-N 1 0 319.471 0.662 50 0 DCAARO COc1cccc(-n2nnc3c2ncnc3N2CC[NH2+]CC2)c1 ZINC000011920063 395686928 /nfs/dbraw/zinc/68/69/28/395686928.db2.gz UXMCCJCSMBJOFK-UHFFFAOYSA-N 1 0 311.349 0.629 50 0 DCAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000002278658 395681414 /nfs/dbraw/zinc/68/14/14/395681414.db2.gz OYWLTGBVNNFOOS-UHFFFAOYSA-N 1 0 321.377 0.870 50 0 DCAARO C[N@H+](CCCO)C1CCN(c2cncc(-n3cccn3)n2)CC1 ZINC000089346043 395710485 /nfs/dbraw/zinc/71/04/85/395710485.db2.gz WEUCGZJEUZDONB-UHFFFAOYSA-N 1 0 316.409 0.945 50 0 DCAARO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)cc1 ZINC000032758562 395712957 /nfs/dbraw/zinc/71/29/57/395712957.db2.gz PVCLSLSBXJFARE-CQSZACIVSA-N 1 0 309.362 0.670 50 0 DCAARO CN(C[C@@H](O)CN1CC[NH+](C)CC1)C(=O)C1C(C)(C)C1(C)C ZINC000089917382 395716349 /nfs/dbraw/zinc/71/63/49/395716349.db2.gz RQYZMWXODWSJRL-CYBMUJFWSA-N 1 0 311.470 0.735 50 0 DCAARO C[C@]1(O)CC[N@H+](CCC(=O)NCc2ccc(F)cc2)C[C@@H]1O ZINC000096138623 395746259 /nfs/dbraw/zinc/74/62/59/395746259.db2.gz JAIZIUUXRKWICW-HOCLYGCPSA-N 1 0 310.369 0.650 50 0 DCAARO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000096476648 395754062 /nfs/dbraw/zinc/75/40/62/395754062.db2.gz GVPQPTUSVWDEQN-JTQLQIEISA-N 1 0 310.379 0.938 50 0 DCAARO O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)N1CCOCC1 ZINC000097200507 395755622 /nfs/dbraw/zinc/75/56/22/395755622.db2.gz BJADGBSGVRKENR-AWEZNQCLSA-N 1 0 304.394 0.674 50 0 DCAARO OCCn1ncc2c1ncnc2NC1CC[NH+](C2CC2)CC1 ZINC000097200125 395755690 /nfs/dbraw/zinc/75/56/90/395755690.db2.gz BOLDMPNEKPEWBC-UHFFFAOYSA-N 1 0 302.382 0.857 50 0 DCAARO CCC[N@@H+]1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H](O)C1 ZINC000097570952 395758837 /nfs/dbraw/zinc/75/88/37/395758837.db2.gz KAYANJLIPWUJIX-LBPRGKRZSA-N 1 0 306.410 0.817 50 0 DCAARO O=C(NCCNC(=O)[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000097775884 395761079 /nfs/dbraw/zinc/76/10/79/395761079.db2.gz TYZCXLZZNGYQRY-LBPRGKRZSA-N 1 0 311.769 0.174 50 0 DCAARO C[NH+](C)CCCNc1c(=O)c(=O)c1NCCCn1ccnc1 ZINC000101676118 395766037 /nfs/dbraw/zinc/76/60/37/395766037.db2.gz JWDWSPKKCRVRMF-UHFFFAOYSA-N 1 0 305.382 0.345 50 0 DCAARO C[NH+]1CCN(CCCNC(=O)c2cn3ccccc3n2)CC1 ZINC000048362126 395813914 /nfs/dbraw/zinc/81/39/14/395813914.db2.gz COPSWEOEXPUOJP-UHFFFAOYSA-N 1 0 301.394 0.702 50 0 DCAARO CCc1nccn1Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1CCOC ZINC000219166699 395844885 /nfs/dbraw/zinc/84/48/85/395844885.db2.gz MILSSQHRMJFECK-TXEJJXNPSA-N 1 0 304.398 0.936 50 0 DCAARO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1cccnc1 ZINC000220326292 395847814 /nfs/dbraw/zinc/84/78/14/395847814.db2.gz VGVZCFLTKYXSMZ-CABCVRRESA-N 1 0 307.394 0.476 50 0 DCAARO CN1CC[NH+](CCC(=O)N2CCC[C@@H](Cn3ccnc3)C2)CC1 ZINC000220465697 395848821 /nfs/dbraw/zinc/84/88/21/395848821.db2.gz AFECITHLZNDHPH-INIZCTEOSA-N 1 0 319.453 0.759 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000126331593 395911663 /nfs/dbraw/zinc/91/16/63/395911663.db2.gz CGCDFKWSPWXSIW-LBPRGKRZSA-N 1 0 300.362 0.607 50 0 DCAARO CC(C)(C)OC(=O)NOCCOCCOCCOCC[NH3+] ZINC000238185904 395922779 /nfs/dbraw/zinc/92/27/79/395922779.db2.gz UVOCYAYFAWDILA-UHFFFAOYSA-N 1 0 308.375 0.451 50 0 DCAARO O=C(NCCn1cnnn1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244811352 395925537 /nfs/dbraw/zinc/92/55/37/395925537.db2.gz SBJAZOUZPBJBMH-OAHLLOKOSA-N 1 0 314.393 0.844 50 0 DCAARO CCn1c(N)c(C(=O)C[N@H+](C)CC2CCCCC2)c(=O)[nH]c1=O ZINC000052511843 395864325 /nfs/dbraw/zinc/86/43/25/395864325.db2.gz UXTVSXDJUULNFS-UHFFFAOYSA-N 1 0 322.409 0.834 50 0 DCAARO O=C(NCCc1ccc(Br)s1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000226304594 395865279 /nfs/dbraw/zinc/86/52/79/395865279.db2.gz OGRBSFNZXSUSKX-CBAPKCEASA-N 1 0 319.224 0.892 50 0 DCAARO CCC[N@H+](CCO)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000052915284 395873314 /nfs/dbraw/zinc/87/33/14/395873314.db2.gz IUCNXBUWZCLHQL-ZDUSSCGKSA-N 1 0 300.399 0.492 50 0 DCAARO C[N@@H+]1CCC[C@H](N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000229590239 395875598 /nfs/dbraw/zinc/87/55/98/395875598.db2.gz PDKBGMBQDDXUIX-DLBZAZTESA-N 1 0 316.449 0.925 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COCc2ccco2)C[C@@H]1C ZINC000229554258 395875846 /nfs/dbraw/zinc/87/58/46/395875846.db2.gz QYAHEFNWCDMCHN-SOUVJXGZSA-N 1 0 312.410 0.544 50 0 DCAARO CC(C)CO[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229794531 395876498 /nfs/dbraw/zinc/87/64/98/395876498.db2.gz DODXLEWPTBIEOH-UONOGXRCSA-N 1 0 313.442 0.751 50 0 DCAARO O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000150864517 395974392 /nfs/dbraw/zinc/97/43/92/395974392.db2.gz OQOQGQWZUYNAPB-CABCVRRESA-N 1 0 300.362 0.254 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 ZINC000151048893 395977275 /nfs/dbraw/zinc/97/72/75/395977275.db2.gz NVURCTFOZQRHIT-JTQLQIEISA-N 1 0 315.370 0.297 50 0 DCAARO COC(=O)[C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)C1 ZINC000252518014 396022779 /nfs/dbraw/zinc/02/27/79/396022779.db2.gz XKCCSQWBVUGRCU-UNQGMJICSA-N 1 0 307.394 0.597 50 0 DCAARO CCCC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C)C(N)=O ZINC000252675850 396023832 /nfs/dbraw/zinc/02/38/32/396023832.db2.gz VGRSHNWZTTVZIG-WOPDTQHZSA-N 1 0 305.444 0.290 50 0 DCAARO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000252669677 396024214 /nfs/dbraw/zinc/02/42/14/396024214.db2.gz IIWHERDYFFBEFY-AGIUHOORSA-N 1 0 319.471 0.503 50 0 DCAARO CC[NH+](CC)Cc1cnc2c(C(=O)NC[C@H](C)O)cnn2c1 ZINC000067756890 396033186 /nfs/dbraw/zinc/03/31/86/396033186.db2.gz BCSUJIHTIGWAFU-NSHDSACASA-N 1 0 305.382 0.682 50 0 DCAARO CO[C@@H](C(=O)N[C@H]1C[C@H]2CN(C)CC[N@@H+]2C1)c1ccccc1 ZINC000067805649 396034362 /nfs/dbraw/zinc/03/43/62/396034362.db2.gz NILHNWDDRLRIQF-HRCADAONSA-N 1 0 303.406 0.879 50 0 DCAARO O=C(N[C@@H]1CN(Cc2ccco2)C[C@H]1CO)c1ccncc1 ZINC000257189647 396034738 /nfs/dbraw/zinc/03/47/38/396034738.db2.gz JKVLOBGUMMPKLD-DZGCQCFKSA-N 1 0 301.346 0.897 50 0 DCAARO CCn1cncc1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067909943 396038907 /nfs/dbraw/zinc/03/89/07/396038907.db2.gz KGFWKZXGMSSHGE-GFCCVEGCSA-N 1 0 317.397 0.424 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1cccnc1 ZINC000067965879 396040776 /nfs/dbraw/zinc/04/07/76/396040776.db2.gz DENHEINATKKUSO-KGLIPLIRSA-N 1 0 304.394 0.467 50 0 DCAARO O=C(C[C@H]1C[NH2+]CCO1)NCc1ccc(N2CCCC2=O)cc1 ZINC000261850493 396072472 /nfs/dbraw/zinc/07/24/72/396072472.db2.gz ZVRVAZXEWJCECY-HNNXBMFYSA-N 1 0 317.389 0.808 50 0 DCAARO [NH3+]C1(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CCOCC1 ZINC000261829397 396070080 /nfs/dbraw/zinc/07/00/80/396070080.db2.gz KVWCIHRVUBFAJZ-UHFFFAOYSA-N 1 0 304.350 0.877 50 0 DCAARO O=C(CCCn1ccnc1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000252485697 396020920 /nfs/dbraw/zinc/02/09/20/396020920.db2.gz HBTLAOVMBOCGDS-GJZGRUSLSA-N 1 0 306.410 0.721 50 0 DCAARO COc1cccc(CNC(=O)C[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000069656182 396086300 /nfs/dbraw/zinc/08/63/00/396086300.db2.gz AONZSNOGXJXZLW-HNNXBMFYSA-N 1 0 307.394 0.232 50 0 DCAARO CN(Cc1cccc(F)c1)C(=O)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000069702850 396087490 /nfs/dbraw/zinc/08/74/90/396087490.db2.gz XGOUGNQGXCJZRR-OAHLLOKOSA-N 1 0 309.385 0.704 50 0 DCAARO CCc1nc(CN2CCC[C@@H]([NH2+]CCS(C)(=O)=O)C2)no1 ZINC000069708232 396087635 /nfs/dbraw/zinc/08/76/35/396087635.db2.gz IJYJFDWLZCQYAZ-LLVKDONJSA-N 1 0 316.427 0.231 50 0 DCAARO CC[C@H]1CN(CC(=O)NC2CCOCC2)CC[N@@H+]1CCOC ZINC000069738027 396088755 /nfs/dbraw/zinc/08/87/55/396088755.db2.gz IPMAFAWQSUAOSN-HNNXBMFYSA-N 1 0 313.442 0.324 50 0 DCAARO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ncccn2)CC[N@@H+]1CCOC ZINC000069738104 396088761 /nfs/dbraw/zinc/08/87/61/396088761.db2.gz HQAZVIGLUDLENK-UONOGXRCSA-N 1 0 321.425 0.846 50 0 DCAARO CCn1cc(CN2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000069740994 396089597 /nfs/dbraw/zinc/08/95/97/396089597.db2.gz LFDZPQPJGIRPAH-MRXNPFEDSA-N 1 0 319.453 0.889 50 0 DCAARO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000070011749 396097410 /nfs/dbraw/zinc/09/74/10/396097410.db2.gz YTSXCCXGXYPPHR-ILXRZTDVSA-N 1 0 321.425 0.674 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000070036378 396098336 /nfs/dbraw/zinc/09/83/36/396098336.db2.gz NZGGYERQOISOST-ABAIWWIYSA-N 1 0 300.349 0.997 50 0 DCAARO COCc1ccccc1CNC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000071810492 396115182 /nfs/dbraw/zinc/11/51/82/396115182.db2.gz PNEGEMHWKDVOOK-UHFFFAOYSA-N 1 0 319.405 0.647 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C[C@@H](C)O ZINC000071864679 396119441 /nfs/dbraw/zinc/11/94/41/396119441.db2.gz IMJJBLQJFNYULN-KGLIPLIRSA-N 1 0 323.441 0.444 50 0 DCAARO O=c1cc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)nc2ccccn12 ZINC000071875138 396120441 /nfs/dbraw/zinc/12/04/41/396120441.db2.gz WCKDHAPJLYJBIK-CQSZACIVSA-N 1 0 310.361 0.951 50 0 DCAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CCN2C(=O)CNC2=O)n1 ZINC000071876089 396121229 /nfs/dbraw/zinc/12/12/29/396121229.db2.gz NPIORKHKNGEALB-CYBMUJFWSA-N 1 0 305.382 0.516 50 0 DCAARO Cc1cnn(C[C@H]2CCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)c1 ZINC000071875890 396121409 /nfs/dbraw/zinc/12/14/09/396121409.db2.gz AHCNCAWWVSXFCM-CYBMUJFWSA-N 1 0 319.409 0.986 50 0 DCAARO Cc1cc(C)n2cc(CN3CC[NH+](C[C@H](C)O)CC3)nc2n1 ZINC000072267384 396127771 /nfs/dbraw/zinc/12/77/71/396127771.db2.gz OGWWRERKTWKSMO-AWEZNQCLSA-N 1 0 303.410 0.845 50 0 DCAARO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CCCN2c2cccnn2)no1 ZINC000072276712 396129168 /nfs/dbraw/zinc/12/91/68/396129168.db2.gz SRLRBHVMIHIORR-LBPRGKRZSA-N 1 0 316.365 0.970 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)n1 ZINC000069493277 396080587 /nfs/dbraw/zinc/08/05/87/396080587.db2.gz WYYNXNSZRDIKEA-OAHLLOKOSA-N 1 0 321.425 0.608 50 0 DCAARO CN(Cc1nccs1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074524836 396168959 /nfs/dbraw/zinc/16/89/59/396168959.db2.gz JNAZLTFYAWOJOT-NSHDSACASA-N 1 0 310.423 0.512 50 0 DCAARO COc1ccnc(N2CCN(CC[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000075109093 396176041 /nfs/dbraw/zinc/17/60/41/396176041.db2.gz OVNVWDULKOTHAH-AWEZNQCLSA-N 1 0 305.426 0.949 50 0 DCAARO C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1Cc1nccn1C ZINC000075132006 396176715 /nfs/dbraw/zinc/17/67/15/396176715.db2.gz QCSLQIRTUHZUKY-GJZGRUSLSA-N 1 0 307.442 0.257 50 0 DCAARO Cc1nc(NC(=O)C[NH2+][C@@H]2CCc3ncnn3C2)sc1C ZINC000075603418 396182595 /nfs/dbraw/zinc/18/25/95/396182595.db2.gz JOPGAOIBNUZWJQ-SNVBAGLBSA-N 1 0 306.395 0.895 50 0 DCAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N1CCOC[C@@H]1C ZINC000076042595 396192684 /nfs/dbraw/zinc/19/26/84/396192684.db2.gz SZZASPHXKVHGJS-BFHYXJOUSA-N 1 0 317.455 0.511 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@@H]1[NH+](C)C ZINC000076051683 396193850 /nfs/dbraw/zinc/19/38/50/396193850.db2.gz PGGLOANQJWUDPO-ZJUUUORDSA-N 1 0 300.380 0.705 50 0 DCAARO C[C@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000076058319 396194948 /nfs/dbraw/zinc/19/49/48/396194948.db2.gz SYWQYRYUWNNCBH-HZMBPMFUSA-N 1 0 323.418 0.800 50 0 DCAARO Cc1nc(CN(C)[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)no1 ZINC000078890924 396256060 /nfs/dbraw/zinc/25/60/60/396256060.db2.gz IUTHTIFJCUFOGN-CQSZACIVSA-N 1 0 317.393 0.783 50 0 DCAARO CN(C)c1nc(N)nc(CN2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000077315330 396218195 /nfs/dbraw/zinc/21/81/95/396218195.db2.gz WYLGOMRRXULLCC-GFCCVEGCSA-N 1 0 305.430 0.580 50 0 DCAARO C[C@H]1Cc2cc(CNC(=O)c3cn(CC[NH3+])nn3)ccc2O1 ZINC000077354241 396219493 /nfs/dbraw/zinc/21/94/93/396219493.db2.gz SMIVJKBVMQOTBF-JTQLQIEISA-N 1 0 301.350 0.490 50 0 DCAARO O=C(c1cccnn1)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000077440298 396222345 /nfs/dbraw/zinc/22/23/45/396222345.db2.gz XRTUIKVXNKECES-HNNXBMFYSA-N 1 0 301.394 0.329 50 0 DCAARO Cc1ncsc1CCC(=O)N1C[C@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000077470610 396223175 /nfs/dbraw/zinc/22/31/75/396223175.db2.gz VBMBMWFKNFEBJF-NEPJUHHUSA-N 1 0 324.450 0.837 50 0 DCAARO CN(CCn1ccc2ccccc21)C(=O)c1cn(CC[NH3+])nn1 ZINC000077505476 396225001 /nfs/dbraw/zinc/22/50/01/396225001.db2.gz MUYJYNFAFIMTPB-UHFFFAOYSA-N 1 0 312.377 0.964 50 0 DCAARO C[C@@H](CN1CCOCC1)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC000584889087 396633015 /nfs/dbraw/zinc/63/30/15/396633015.db2.gz ACWRBVMGQFOBQT-HNNXBMFYSA-N 1 0 324.469 0.977 50 0 DCAARO COCCN1C[C@H](C[NH2+]C2CSCCSC2)CC1=O ZINC000584895321 396634777 /nfs/dbraw/zinc/63/47/77/396634777.db2.gz SCOMRRGLOCHDBZ-NSHDSACASA-N 1 0 304.481 0.920 50 0 DCAARO CCS(=O)(=O)CC(=O)N1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC000584898984 396636602 /nfs/dbraw/zinc/63/66/02/396636602.db2.gz VYKXXIHGDJPOBX-CQSZACIVSA-N 1 0 302.440 0.756 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000606441216 397680862 /nfs/dbraw/zinc/68/08/62/397680862.db2.gz XMNYBODTCBBYMG-XURPKSDJSA-N 1 0 323.418 0.558 50 0 DCAARO NC(=[NH2+])SCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000007715643 415140990 /nfs/dbraw/zinc/14/09/90/415140990.db2.gz BIWLYHUIKMHNGP-UHFFFAOYSA-N 1 0 315.420 0.834 50 0 DCAARO C[NH+](C)CCCOC1CCN(S(=O)(=O)N2CCC2)CC1 ZINC000332048313 415219819 /nfs/dbraw/zinc/21/98/19/415219819.db2.gz ZJYPGNRLCMJNRT-UHFFFAOYSA-N 1 0 305.444 0.370 50 0 DCAARO COc1cccc(-c2n[nH]cc2C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000067723915 415385261 /nfs/dbraw/zinc/38/52/61/415385261.db2.gz GLBXWIHYQMTWDZ-ZDUSSCGKSA-N 1 0 316.361 0.885 50 0 DCAARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CNC(=O)N1 ZINC000089818339 415522667 /nfs/dbraw/zinc/52/26/67/415522667.db2.gz UXQJWVGUSOORRK-CQSZACIVSA-N 1 0 308.426 0.829 50 0 DCAARO OCCN1CC[NH+](C2CCN(Cc3ccccn3)CC2)CC1 ZINC000095117852 415548556 /nfs/dbraw/zinc/54/85/56/415548556.db2.gz LBGDNVNRFRDHOQ-UHFFFAOYSA-N 1 0 304.438 0.656 50 0 DCAARO CCOC(=O)[C@H]1CN(c2nc(N)[nH+]c(CC)c2C)CCC1=O ZINC000095360488 415555366 /nfs/dbraw/zinc/55/53/66/415555366.db2.gz MHHBCOFEIQLTCQ-JTQLQIEISA-N 1 0 306.366 0.888 50 0 DCAARO CC(=O)Nc1ccc(-c2cn(CCN3CC[NH2+]CC3)nn2)cc1 ZINC000095368965 415555729 /nfs/dbraw/zinc/55/57/29/415555729.db2.gz CPTYLNNCLDDAJT-UHFFFAOYSA-N 1 0 314.393 0.809 50 0 DCAARO COC(=O)Cn1ncc2c1ncnc2N1CC[N@H+](C)CC1(C)C ZINC000095941742 415564926 /nfs/dbraw/zinc/56/49/26/415564926.db2.gz FYNISYARQIHGBN-UHFFFAOYSA-N 1 0 318.381 0.530 50 0 DCAARO C[NH+](C)CCOCCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000096012535 415573626 /nfs/dbraw/zinc/57/36/26/415573626.db2.gz ZRIVOOPIHDQSQZ-UHFFFAOYSA-N 1 0 308.350 0.821 50 0 DCAARO C[NH+](C)[C@@H](CNC(=O)CN1CCNC(=O)CC1)c1ccccc1 ZINC000097096438 415582352 /nfs/dbraw/zinc/58/23/52/415582352.db2.gz CROZJIIGWVBSMK-HNNXBMFYSA-N 1 0 318.421 0.227 50 0 DCAARO Cc1nnc(CN2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)s1 ZINC000107690886 415672464 /nfs/dbraw/zinc/67/24/64/415672464.db2.gz BSIRUCTUCFNXHB-CQSZACIVSA-N 1 0 309.439 0.633 50 0 DCAARO O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000108357071 415678814 /nfs/dbraw/zinc/67/88/14/415678814.db2.gz LDUNOOLMIWQQQG-CYDGBPFRSA-N 1 0 300.424 0.601 50 0 DCAARO C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)CC[NH2+]1 ZINC000155058032 415992419 /nfs/dbraw/zinc/99/24/19/415992419.db2.gz BXHJZKYHZITFDV-OCCSQVGLSA-N 1 0 310.419 0.463 50 0 DCAARO CN(C(=O)[C@H]1COCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171934400 416042702 /nfs/dbraw/zinc/04/27/02/416042702.db2.gz UHUNWBHXFJMVGK-OAHLLOKOSA-N 1 0 322.409 0.221 50 0 DCAARO C[NH+]1CCC(O)(CCNC(=O)[C@H](O)c2ccccc2F)CC1 ZINC000299756841 416064444 /nfs/dbraw/zinc/06/44/44/416064444.db2.gz JIWHCPIPQKUFFZ-CQSZACIVSA-N 1 0 310.369 0.822 50 0 DCAARO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[NH2+]CC3)c1 ZINC000299757279 416065052 /nfs/dbraw/zinc/06/50/52/416065052.db2.gz JZPDWBKQBOLJTA-NSHDSACASA-N 1 0 315.377 0.923 50 0 DCAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CSc1nnc(C)o1 ZINC000299777933 416068231 /nfs/dbraw/zinc/06/82/31/416068231.db2.gz LXARDRFUJVVYIB-QWRGUYRKSA-N 1 0 314.411 0.694 50 0 DCAARO O=C(CC[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1)NC1CCCC1 ZINC000299790356 416068996 /nfs/dbraw/zinc/06/89/96/416068996.db2.gz BFFSMQHFMBCHHZ-LSDHHAIUSA-N 1 0 319.409 0.873 50 0 DCAARO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CC[NH2+]1 ZINC000188409896 416262322 /nfs/dbraw/zinc/26/23/22/416262322.db2.gz YPQUCTKXBZNCQY-OSAQELSMSA-N 1 0 319.409 0.150 50 0 DCAARO CC1CCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cn2)CC1 ZINC000188063292 416263346 /nfs/dbraw/zinc/26/33/46/416263346.db2.gz DOGKUIZDSPERFF-OAHLLOKOSA-N 1 0 318.421 0.923 50 0 DCAARO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)NCc1ccco1 ZINC000252676442 416334629 /nfs/dbraw/zinc/33/46/29/416334629.db2.gz XCCCOZLMWLDUFA-BXUZGUMPSA-N 1 0 320.393 0.678 50 0 DCAARO C[NH+](C)C1CN(c2cc(S(=O)(=O)N3CCCC3)ccn2)C1 ZINC000225822960 416327791 /nfs/dbraw/zinc/32/77/91/416327791.db2.gz ALNXXGTZHIYDAR-UHFFFAOYSA-N 1 0 310.423 0.616 50 0 DCAARO C[C@H]1CCCN(C(=O)c2cnc3sccn3c2=O)[C@H]1C[NH3+] ZINC000237660490 416328582 /nfs/dbraw/zinc/32/85/82/416328582.db2.gz UQYINQKIFHCZEH-ONGXEEELSA-N 1 0 306.391 0.955 50 0 DCAARO C[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H]1C[NH3+] ZINC000237653403 416328754 /nfs/dbraw/zinc/32/87/54/416328754.db2.gz OXXHOCLYEQHWPO-TVQRCGJNSA-N 1 0 316.361 0.416 50 0 DCAARO C[C@H](OC[C@H]1CCCCO1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000242288050 416330395 /nfs/dbraw/zinc/33/03/95/416330395.db2.gz YKRYWBWQKKPVHX-SOUVJXGZSA-N 1 0 313.442 0.323 50 0 DCAARO CC[C@H]([NH2+][C@@H]1CCN(S(=O)(=O)C(C)C)C[C@H]1C)C(N)=O ZINC000241965626 416330535 /nfs/dbraw/zinc/33/05/35/416330535.db2.gz UUMUJHAJBSECHI-GRYCIOLGSA-N 1 0 305.444 0.289 50 0 DCAARO CN(Cc1ccc2nonc2c1)C(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000244619967 416330542 /nfs/dbraw/zinc/33/05/42/416330542.db2.gz FJKPSJQBCAQMGS-CYBMUJFWSA-N 1 0 317.393 0.817 50 0 DCAARO O=C(c1nnn2c1CO[C@H](c1ccccc1)C2)N1CC[NH2+]CC1 ZINC000583648207 416480021 /nfs/dbraw/zinc/48/00/21/416480021.db2.gz FTUGMLCGQYHIEZ-AWEZNQCLSA-N 1 0 313.361 0.595 50 0 DCAARO CN(CC[N@H+](C)C1CC1)C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000408522093 417168114 /nfs/dbraw/zinc/16/81/14/417168114.db2.gz CUNQKIKWEQAVNC-SFHVURJKSA-N 1 0 315.417 0.997 50 0 DCAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1COCCN1 ZINC000299740034 229374057 /nfs/dbraw/zinc/37/40/57/229374057.db2.gz USWUPZUALQYEOI-FVQBIDKESA-N 1 0 318.421 0.397 50 0 DCAARO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237487176 261160556 /nfs/dbraw/zinc/16/05/56/261160556.db2.gz ROVBNOSVAZCJFZ-ZJUUUORDSA-N 1 0 301.350 0.241 50 0 DCAARO C[C@H]1CN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)CC[NH2+]1 ZINC000493139743 272170403 /nfs/dbraw/zinc/17/04/03/272170403.db2.gz LBGYLQAYXFRNPW-KMSCOEIWSA-N 1 0 303.362 0.384 50 0 DCAARO C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC2(CC1)OCCO2 ZINC000040501320 279209025 /nfs/dbraw/zinc/20/90/25/279209025.db2.gz JITGPBPQYONKQN-HZSPNIEDSA-N 1 0 312.410 0.850 50 0 DCAARO C[C@H](Cn1cccn1)C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067840037 289751267 /nfs/dbraw/zinc/75/12/67/289751267.db2.gz NDVIGMAGNJURFV-OAHLLOKOSA-N 1 0 319.453 0.758 50 0 DCAARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000237576945 298995470 /nfs/dbraw/zinc/99/54/70/298995470.db2.gz BLJIBDPZMVOHPD-GXFFZTMASA-N 1 0 311.407 0.676 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)Cn1cccn1 ZINC000065475086 302786194 /nfs/dbraw/zinc/78/61/94/302786194.db2.gz IYJVSIPKSPPDED-ZDUSSCGKSA-N 1 0 318.425 0.940 50 0 DCAARO Cn1c(SCCN2CCCC2=O)nnc1[C@@H]1CCC[NH2+]C1 ZINC000534575240 334287668 /nfs/dbraw/zinc/28/76/68/334287668.db2.gz ZEEMAKSMCUQPOW-LLVKDONJSA-N 1 0 309.439 0.997 50 0 DCAARO C[C@@]1(C(=O)NCCC[NH+]2CCC(C(N)=O)CC2)CCCCO1 ZINC000534587209 334292408 /nfs/dbraw/zinc/29/24/08/334292408.db2.gz KOPWWKRDQOZAEZ-INIZCTEOSA-N 1 0 311.426 0.649 50 0 DCAARO C[C@@H](CNC(=O)CN(C)C1CC[NH2+]CC1)Oc1cccnc1 ZINC000534656830 334314493 /nfs/dbraw/zinc/31/44/93/334314493.db2.gz GAYQZLKIKRZLEX-ZDUSSCGKSA-N 1 0 306.410 0.649 50 0 DCAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NCc1noc(C(N)=O)n1 ZINC000534648519 334316417 /nfs/dbraw/zinc/31/64/17/334316417.db2.gz QBZKICJSRRPDQC-NSHDSACASA-N 1 0 315.377 0.705 50 0 DCAARO O=C(NCc1cscn1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000534665499 334318575 /nfs/dbraw/zinc/31/85/75/334318575.db2.gz IASABBMUVNLMEI-STQMWFEESA-N 1 0 310.423 0.884 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 ZINC000237117756 522047792 /nfs/dbraw/zinc/04/77/92/522047792.db2.gz IPMOGJVEAAWWLS-MRZGDXHCSA-N 1 0 317.389 0.774 50 0 DCAARO COCCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000156107778 524051064 /nfs/dbraw/zinc/05/10/64/524051064.db2.gz QMSBCRWHYGTNDU-GFCCVEGCSA-N 1 0 314.407 0.824 50 0 DCAARO C[C@@]1(c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2)NC(=O)NC1=O ZINC000157849647 525886502 /nfs/dbraw/zinc/88/65/02/525886502.db2.gz ACLFFIBCSBMUDL-LRDDRELGSA-N 1 0 316.361 0.305 50 0 DCAARO Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000237743886 527116170 /nfs/dbraw/zinc/11/61/70/527116170.db2.gz HPVQPIGTUIRYKN-GFCCVEGCSA-N 1 0 303.366 0.398 50 0 DCAARO CCOC(=O)N1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000670433962 547088698 /nfs/dbraw/zinc/08/86/98/547088698.db2.gz SWTKOPRYCDXGQN-VXGBXAGGSA-N 1 0 320.411 0.009 50 0 DCAARO COC(=O)N[C@H](C)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000670451067 547096029 /nfs/dbraw/zinc/09/60/29/547096029.db2.gz PBIVTVNPCMCTOF-LLVKDONJSA-N 1 0 313.398 0.491 50 0 DCAARO C[NH+]1CCC(c2ncc(C(=O)N[C@H]3CCOC[C@H]3O)[nH]2)CC1 ZINC000685943019 548748304 /nfs/dbraw/zinc/74/83/04/548748304.db2.gz ZTXNHWCXPQDDQK-WCQYABFASA-N 1 0 308.382 0.099 50 0 DCAARO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000328587649 563929654 /nfs/dbraw/zinc/92/96/54/563929654.db2.gz DSXAKFMOQBRAEM-GFQSEFKGSA-N 1 0 300.424 0.410 50 0 DCAARO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000888093960 661158012 /nfs/dbraw/zinc/15/80/12/661158012.db2.gz OMXVJHHIOHOAQY-RQJABVFESA-N 1 0 308.426 0.779 50 0 DCAARO C[N@@H+]1C[C@H](NC(=O)C2([NH+]3CCCC3)CCCC2)C[C@H]1C(=O)[O-] ZINC000426373900 661559532 /nfs/dbraw/zinc/55/95/32/661559532.db2.gz ZQBUUHPZWPIUMO-OLZOCXBDSA-N 1 0 309.410 0.669 50 0 DCAARO C[N@@H+]1CCCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 ZINC000061197384 664595491 /nfs/dbraw/zinc/59/54/91/664595491.db2.gz TXGAWVDOUZFBNQ-UHFFFAOYSA-N 1 0 322.434 0.977 50 0 DCAARO Cc1nccc([C@@H]2CCCN(CCS(=O)(=O)N(C)C)C2)n1 ZINC000585081718 666170491 /nfs/dbraw/zinc/17/04/91/666170491.db2.gz MPZIZRCIPBAGKF-CYBMUJFWSA-N 1 0 312.439 0.856 50 0 DCAARO O=C(NCCn1ccnn1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000952963861 685598173 /nfs/dbraw/zinc/59/81/73/685598173.db2.gz ADVFCXRBANNARR-ZDUSSCGKSA-N 1 0 303.366 0.900 50 0 DCAARO CC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(F)cc3F)CN2C1=O ZINC000014751150 685048970 /nfs/dbraw/zinc/04/89/70/685048970.db2.gz XBVBNUQBMONYMZ-UBHSHLNASA-N 1 0 323.343 0.932 50 0 DCAARO Cc1nc2c(c(N3CCO[C@H](CCO)C3)n1)CC[N@H+](C)CC2 ZINC000065405801 685063878 /nfs/dbraw/zinc/06/38/78/685063878.db2.gz YWOROBOIMKDGOH-CYBMUJFWSA-N 1 0 306.410 0.403 50 0 DCAARO CCO[C@H]1CN(C)C[C@@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000096179705 685111055 /nfs/dbraw/zinc/11/10/55/685111055.db2.gz FZCJSCAYFLIWNO-GJZGRUSLSA-N 1 0 305.426 0.754 50 0 DCAARO C[N@@H+]1CCC[C@]2(CO)CCN(c3nc(N)nc4nc[nH]c43)C[C@@H]12 ZINC001704307547 1179967970 /nfs/dbraw/zinc/96/79/70/1179967970.db2.gz JQVAPDDKQCNWRW-MEBBXXQBSA-N 1 0 317.397 0.218 50 0 DCAARO Cn1c(=O)[nH]cc(CC[N@H+](C)Cc2cnc3ccccn23)c1=O ZINC001704353489 1179982794 /nfs/dbraw/zinc/98/27/94/1179982794.db2.gz FJMXRCVTJABJBE-UHFFFAOYSA-N 1 0 313.361 0.808 50 0 DCAARO C[C@@H](CN1CCOCC1)[NH2+]Cc1nnc(-c2ccncc2)[nH]1 ZINC000821285744 758168467 /nfs/dbraw/zinc/16/84/67/758168467.db2.gz ZBOPINUJKBJTCM-LBPRGKRZSA-N 1 0 302.382 0.677 50 0 DCAARO CCN1CCC(CNC(=O)c2cnc(N)s2)([NH+](C)C)CC1 ZINC000823107381 758223570 /nfs/dbraw/zinc/22/35/70/758223570.db2.gz TYKAYRNKRLXQSD-UHFFFAOYSA-N 1 0 311.455 0.871 50 0 DCAARO COCC[N@@H+]1CCC[C@H](c2nc(CC(N)=O)nn2C(C)(C)C)C1 ZINC000824413124 758773985 /nfs/dbraw/zinc/77/39/85/758773985.db2.gz DLINTVFFSCNHQG-LBPRGKRZSA-N 1 0 323.441 0.887 50 0 DCAARO O=C(C[NH+]1CCCC1)NCC1CCN(Cc2cc[nH]n2)CC1 ZINC000827832010 758887222 /nfs/dbraw/zinc/88/72/22/758887222.db2.gz WHYPIIPXWVVIKG-UHFFFAOYSA-N 1 0 305.426 0.834 50 0 DCAARO O=C(C[NH+]1CCCCCC1)N[C@H]1COC[C@@H]1N1CCOCC1 ZINC000828038954 758918436 /nfs/dbraw/zinc/91/84/36/758918436.db2.gz PLAUQXUDOJWUOD-GJZGRUSLSA-N 1 0 311.426 0.078 50 0 DCAARO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCC(=O)Nc1nncs1 ZINC000828084897 758925929 /nfs/dbraw/zinc/92/59/29/758925929.db2.gz XGNVJAIAVUBETJ-JTQLQIEISA-N 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[NH3+]CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072456964 191172793 /nfs/dbraw/zinc/17/27/93/191172793.db2.gz SBFILMAVMBFISG-QGZVFWFLSA-N 1 0 316.405 0.772 50 0 DCAARO Cc1[nH][nH]c(=O)c1CC(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072458655 191173281 /nfs/dbraw/zinc/17/32/81/191173281.db2.gz HVCZKGFPLGLAIV-UHFFFAOYSA-N 1 0 315.377 0.632 50 0 DCAARO COc1cccc(-n2cc(CN(C)C(=O)[C@@H]([NH3+])[C@@H](C)O)cn2)c1 ZINC000072481376 191180983 /nfs/dbraw/zinc/18/09/83/191180983.db2.gz UORSUCLEPDFXKH-ABAIWWIYSA-N 1 0 318.377 0.547 50 0 DCAARO C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)Oc1ccccc1 ZINC000073060662 191275151 /nfs/dbraw/zinc/27/51/51/191275151.db2.gz VGJGUROWVVBEIT-CABCVRRESA-N 1 0 320.437 0.999 50 0 DCAARO COCCOCC[NH+](CCOCCOC)CCOCCOC ZINC000003860567 181050265 /nfs/dbraw/zinc/05/02/65/181050265.db2.gz XGLVDUUYFKXKPL-UHFFFAOYSA-N 1 0 323.430 0.277 50 0 DCAARO Cc1ccc(C2=NN(CC(=O)NCC[NH+](C)C)C(=O)CC2)cc1 ZINC000004708466 181140547 /nfs/dbraw/zinc/14/05/47/181140547.db2.gz IYAYSFLSWHMXNL-UHFFFAOYSA-N 1 0 316.405 0.999 50 0 DCAARO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005250974 181221974 /nfs/dbraw/zinc/22/19/74/181221974.db2.gz KITQVAAFWUKRHR-UHFFFAOYSA-N 1 0 307.350 0.464 50 0 DCAARO COc1ccccc1OCC(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC000085469939 192511618 /nfs/dbraw/zinc/51/16/18/192511618.db2.gz YEIFCNOTNAUTAV-ZDUSSCGKSA-N 1 0 308.378 0.863 50 0 DCAARO C[C@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)C[C@H](C)[NH2+]1 ZINC000153787399 237026273 /nfs/dbraw/zinc/02/62/73/237026273.db2.gz BZQVRZAEDMGPRS-STQMWFEESA-N 1 0 314.389 0.995 50 0 DCAARO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccnn1C ZINC000187483012 200118639 /nfs/dbraw/zinc/11/86/39/200118639.db2.gz RNQKUANPEUPECS-LBPRGKRZSA-N 1 0 309.414 0.407 50 0 DCAARO Cn1cnc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000237816696 202362263 /nfs/dbraw/zinc/36/22/63/202362263.db2.gz BORBISVZKUCMAX-VIFPVBQESA-N 1 0 306.819 0.742 50 0 DCAARO CN(CC1(CO)CCOCC1)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000244626719 202484292 /nfs/dbraw/zinc/48/42/92/202484292.db2.gz FRGBFJZTDYHJBK-TXEJJXNPSA-N 1 0 322.409 0.522 50 0 DCAARO Cc1cc(C)c2[nH]c(C[NH2+]CCNS(C)(=O)=O)cc(=O)c2c1 ZINC000091593112 193077240 /nfs/dbraw/zinc/07/72/40/193077240.db2.gz JQWHXEOYNVDDEK-UHFFFAOYSA-N 1 0 323.418 0.784 50 0 DCAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(c2ccnc(C)n2)C1 ZINC000091643708 193084270 /nfs/dbraw/zinc/08/42/70/193084270.db2.gz ANOBVIQGUKZAEG-CABCVRRESA-N 1 0 308.426 0.798 50 0 DCAARO Cc1cnn(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c1 ZINC000091770774 193105652 /nfs/dbraw/zinc/10/56/52/193105652.db2.gz CYYJBXJFNKMTPK-HUUCEWRRSA-N 1 0 306.410 0.354 50 0 DCAARO CNc1cc(C)[nH+]c(N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)n1 ZINC000092062257 193150166 /nfs/dbraw/zinc/15/01/66/193150166.db2.gz NXWYLNMOCSQWRQ-OLZOCXBDSA-N 1 0 322.409 0.555 50 0 DCAARO CC(=O)NCCc1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000019146036 182105929 /nfs/dbraw/zinc/10/59/29/182105929.db2.gz GUQSIDQVYDVHLB-UHFFFAOYSA-N 1 0 301.350 0.764 50 0 DCAARO Cn1c2[nH]c(C[NH2+]CCc3ccccc3)nc2c(=O)n(C)c1=O ZINC000020029390 182181458 /nfs/dbraw/zinc/18/14/58/182181458.db2.gz NGULAKGHDIEFOR-UHFFFAOYSA-N 1 0 313.361 0.293 50 0 DCAARO CC[NH+](CC)CCCNC(=O)Cn1nc(C)n2cccc2c1=O ZINC000020901674 182252884 /nfs/dbraw/zinc/25/28/84/182252884.db2.gz GCFKRXFYUYXERR-UHFFFAOYSA-N 1 0 319.409 0.653 50 0 DCAARO COc1ccccc1CNC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000022999064 182344393 /nfs/dbraw/zinc/34/43/93/182344393.db2.gz AHBQTRAZWZFLRT-UHFFFAOYSA-N 1 0 319.405 0.769 50 0 DCAARO C[NH+](C)[C@H](CNC(=O)CN1C(=O)CCC1=O)c1cccs1 ZINC000038628946 183004803 /nfs/dbraw/zinc/00/48/03/183004803.db2.gz JIDDAHKPJVFQEO-SNVBAGLBSA-N 1 0 309.391 0.616 50 0 DCAARO CSCC[C@H]([NH3+])C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000040463907 183072056 /nfs/dbraw/zinc/07/20/56/183072056.db2.gz RABGSLZXNXXSSL-LBPRGKRZSA-N 1 0 306.395 0.990 50 0 DCAARO C[C@@H](CNC(=O)Cn1c2ccccc2n(C)c1=O)[NH+]1CCCC1 ZINC000040522586 183091371 /nfs/dbraw/zinc/09/13/71/183091371.db2.gz AEQVIEOVNPHYSK-ZDUSSCGKSA-N 1 0 316.405 0.941 50 0 DCAARO NC(=O)NC(=O)CC[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000040554269 183101003 /nfs/dbraw/zinc/10/10/03/183101003.db2.gz RJANFQZWPBBAQO-UHFFFAOYSA-N 1 0 319.365 0.317 50 0 DCAARO Cc1nn(C)c(N(C)C)c1C[NH2+]CCN1C[C@@H](C)O[C@H](C)C1 ZINC000058392158 184111270 /nfs/dbraw/zinc/11/12/70/184111270.db2.gz XDKANALBYMWFRP-CHWSQXEVSA-N 1 0 309.458 0.993 50 0 DCAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000058421046 184115708 /nfs/dbraw/zinc/11/57/08/184115708.db2.gz NCRLLQIQJBMJGZ-UONOGXRCSA-N 1 0 305.422 0.988 50 0 DCAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000065363097 184328945 /nfs/dbraw/zinc/32/89/45/184328945.db2.gz QRCNFLILJCVVJT-GFCCVEGCSA-N 1 0 317.455 0.259 50 0 DCAARO NC(=O)Cn1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000065427678 184343398 /nfs/dbraw/zinc/34/33/98/184343398.db2.gz YSNUXGSBMGIHDI-VXGBXAGGSA-N 1 0 306.370 0.117 50 0 DCAARO CN(Cc1cccnc1)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065463744 184349633 /nfs/dbraw/zinc/34/96/33/184349633.db2.gz FFXSXTAYAINMNO-CQSZACIVSA-N 1 0 314.393 0.945 50 0 DCAARO C[C@@H]([NH2+]CCSc1nnnn1C)C(=O)Nc1nccs1 ZINC000065535232 184362405 /nfs/dbraw/zinc/36/24/05/184362405.db2.gz GAEPXPLWEXNATA-SSDOTTSWSA-N 1 0 313.412 0.376 50 0 DCAARO COCC[N@H+](C)C[C@H]1CCCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000065554921 184365873 /nfs/dbraw/zinc/36/58/73/184365873.db2.gz URKHKSCKKPBGBU-GFCCVEGCSA-N 1 0 310.398 0.164 50 0 DCAARO CC[N@@H+]1CCC[C@H](NC(=O)COc2ccc(CC(N)=O)cc2)C1 ZINC000065591418 184369938 /nfs/dbraw/zinc/36/99/38/184369938.db2.gz YXXTXQJOPLZFOT-AWEZNQCLSA-N 1 0 319.405 0.694 50 0 DCAARO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000004149180 256516817 /nfs/dbraw/zinc/51/68/17/256516817.db2.gz FWAVZUXJCBMXGI-LBPRGKRZSA-N 1 0 305.444 0.116 50 0 DCAARO CN(CC(=O)N1CCN[C@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000216516227 257273720 /nfs/dbraw/zinc/27/37/20/257273720.db2.gz PUCWEEIYOKCESN-KRWDZBQOSA-N 1 0 316.449 0.843 50 0 DCAARO Cc1cc(C)c2c(OCC(=O)N3CC[NH2+]CC3)nn(C)c2n1 ZINC000237619006 257238274 /nfs/dbraw/zinc/23/82/74/257238274.db2.gz LQYADOOPTBVKDC-UHFFFAOYSA-N 1 0 303.366 0.396 50 0 DCAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCOc1cccc(C(N)=O)c1 ZINC000237386746 257238560 /nfs/dbraw/zinc/23/85/60/257238560.db2.gz JZICMTAEMMKZQS-DGCLKSJQSA-N 1 0 305.378 0.893 50 0 DCAARO CN(C)C(=O)CN1CC[C@@H](NC(=O)c2ccccc2F)[C@H](O)C1 ZINC000426581058 257245814 /nfs/dbraw/zinc/24/58/14/257245814.db2.gz XIBXJHABSBXGLB-ZIAGYGMSSA-N 1 0 323.368 0.079 50 0 DCAARO C[N@H+]1C[C@H]2CN(C(=O)c3cnc4c(O)cccn4c3=O)C[C@H]2C1 ZINC000426599468 257246145 /nfs/dbraw/zinc/24/61/45/257246145.db2.gz BUDGCNPPIWEHCU-PHIMTYICSA-N 1 0 314.345 0.034 50 0 DCAARO Cc1noc(-c2ccc(N3CC[C@](O)(C[NH+](C)C)C3)nc2)n1 ZINC000072408497 257270861 /nfs/dbraw/zinc/27/08/61/257270861.db2.gz HKLNTXUQQDTQRO-HNNXBMFYSA-N 1 0 303.366 0.943 50 0 DCAARO C[N@H+](CCC(=O)NC(N)=O)Cc1cnn(-c2ccccc2)c1 ZINC000011459940 395686478 /nfs/dbraw/zinc/68/64/78/395686478.db2.gz BOFJOSCAYJAUFY-UHFFFAOYSA-N 1 0 301.350 0.889 50 0 DCAARO Cn1nc(NCc2ccccc2C[NH+](C)C)c(=O)n(C)c1=O ZINC000014199174 395689390 /nfs/dbraw/zinc/68/93/90/395689390.db2.gz GHOAWCNKDNLMQN-UHFFFAOYSA-N 1 0 303.366 0.153 50 0 DCAARO CC[NH+]1CCN(c2ncc(C(=O)NCCOC)c(C)n2)CC1 ZINC000021638412 395691593 /nfs/dbraw/zinc/69/15/93/395691593.db2.gz WYWIYYRZGCLNAA-UHFFFAOYSA-N 1 0 307.398 0.303 50 0 DCAARO CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@@H](O)[C@@H]12)C(C)C ZINC000000338200 395680180 /nfs/dbraw/zinc/68/01/80/395680180.db2.gz LMFKRLGHEKVMNT-XKVFNRALSA-N 1 0 313.394 0.327 50 0 DCAARO O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)N1CCCCCC1 ZINC000085436824 395700182 /nfs/dbraw/zinc/70/01/82/395700182.db2.gz XVXUQSMBAHYWDH-MRXNPFEDSA-N 1 0 309.454 0.778 50 0 DCAARO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000030142742 395701999 /nfs/dbraw/zinc/70/19/99/395701999.db2.gz ODKDGZIJAATCKW-WDEREUQCSA-N 1 0 322.409 0.359 50 0 DCAARO c1nc(N2CCOCC2)cc(N2CC[NH+](CC3CC3)CC2)n1 ZINC000089764741 395714980 /nfs/dbraw/zinc/71/49/80/395714980.db2.gz URVLHJABXCCWCI-UHFFFAOYSA-N 1 0 303.410 0.845 50 0 DCAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CNC(=O)N1 ZINC000089794423 395715452 /nfs/dbraw/zinc/71/54/52/395715452.db2.gz XVPPRSQTKUINDN-NWDGAFQWSA-N 1 0 306.366 0.604 50 0 DCAARO COC[C@H](O)C[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000096415735 395752731 /nfs/dbraw/zinc/75/27/31/395752731.db2.gz FOSWXTIMWAMXSD-QGZVFWFLSA-N 1 0 307.438 0.748 50 0 DCAARO CS(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000046856357 395781574 /nfs/dbraw/zinc/78/15/74/395781574.db2.gz OKWFVMPHZHUEDZ-UHFFFAOYSA-N 1 0 317.455 0.260 50 0 DCAARO CC(=O)N1CCN([C@H]2CN(Cc3cc(C)on3)C[C@@H]2C)CC1 ZINC000107058222 395784331 /nfs/dbraw/zinc/78/43/31/395784331.db2.gz JTOQIOOWTUCVEZ-LRDDRELGSA-N 1 0 306.410 0.967 50 0 DCAARO C[N@@H+]1CCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C[C@H](O)C1 ZINC000097675541 395759850 /nfs/dbraw/zinc/75/98/50/395759850.db2.gz LJSHKAGAFDHIRD-OAHLLOKOSA-N 1 0 300.362 0.825 50 0 DCAARO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000097757836 395760236 /nfs/dbraw/zinc/76/02/36/395760236.db2.gz UGYBCTNMKNZBGK-MWRSBEEJSA-N 1 0 315.417 0.567 50 0 DCAARO COc1ccc(N2C(=O)C[C@H](N3CCC[N@H+](C)CC3)C2=O)cc1 ZINC000101751833 395767156 /nfs/dbraw/zinc/76/71/56/395767156.db2.gz NEAUJCOVLBYBAZ-HNNXBMFYSA-N 1 0 317.389 0.965 50 0 DCAARO O[C@@H](Cn1cccn1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000048290160 395812197 /nfs/dbraw/zinc/81/21/97/395812197.db2.gz XHEKTVBALBOFLX-MRXNPFEDSA-N 1 0 301.394 0.457 50 0 DCAARO Cc1cc(N(C)C)nc(NCCNC(=O)c2cnccn2)[nH+]1 ZINC000049372169 395832023 /nfs/dbraw/zinc/83/20/23/395832023.db2.gz MQIRQHUPWWJYLW-UHFFFAOYSA-N 1 0 301.354 0.483 50 0 DCAARO CC(C)(CN1CCOCC1)C[N@@H+]1CCCn2nc(CO)cc2C1 ZINC000218884881 395843934 /nfs/dbraw/zinc/84/39/34/395843934.db2.gz UOUFRHYSHLWRJU-UHFFFAOYSA-N 1 0 322.453 0.940 50 0 DCAARO O=C([C@@H](O)Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000220111280 395847852 /nfs/dbraw/zinc/84/78/52/395847852.db2.gz WWOGRMNZSYYCDJ-KRWDZBQOSA-N 1 0 318.417 0.913 50 0 DCAARO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(Cc2ccsc2)CC1 ZINC000051204654 395848233 /nfs/dbraw/zinc/84/82/33/395848233.db2.gz LTILSCVNBUPWRO-HNNXBMFYSA-N 1 0 323.462 0.849 50 0 DCAARO C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000221940457 395851450 /nfs/dbraw/zinc/85/14/50/395851450.db2.gz CCYVEKVJHLBPKP-RYUDHWBXSA-N 1 0 323.359 0.708 50 0 DCAARO COC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222197681 395851997 /nfs/dbraw/zinc/85/19/97/395851997.db2.gz RZNHTQQTKYPCTJ-KGLIPLIRSA-N 1 0 306.410 0.967 50 0 DCAARO COc1ccccc1OCC(=O)NC[C@H]1COCC[N@H+](C)C1 ZINC000222966436 395853374 /nfs/dbraw/zinc/85/33/74/395853374.db2.gz HRQFHAUIPZCYDD-CYBMUJFWSA-N 1 0 308.378 0.768 50 0 DCAARO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc12 ZINC000124532962 395900597 /nfs/dbraw/zinc/90/05/97/395900597.db2.gz ZNAPWGWPFXMIOR-GXFFZTMASA-N 1 0 323.422 0.682 50 0 DCAARO CCOc1ncccc1CNC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055088716 395910539 /nfs/dbraw/zinc/91/05/39/395910539.db2.gz QMNHFTZHCGBJLL-CYBMUJFWSA-N 1 0 320.393 0.294 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCCCNc2cccnc2)C1 ZINC000055211780 395914327 /nfs/dbraw/zinc/91/43/27/395914327.db2.gz RYDSMYRBDFXIAM-ZDUSSCGKSA-N 1 0 319.409 0.197 50 0 DCAARO CC(C)n1cnnc1CN(C)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055414736 395918632 /nfs/dbraw/zinc/91/86/32/395918632.db2.gz ZHJAVTIJNQSVQR-LBPRGKRZSA-N 1 0 322.413 0.015 50 0 DCAARO [NH3+][C@H]1C[C@H](c2cc(NCCc3n[nH]c(=O)[n-]3)nc(C3CC3)n2)C1 ZINC000244866660 395925709 /nfs/dbraw/zinc/92/57/09/395925709.db2.gz WAEZDCVZUIUGCT-MGCOHNPYSA-N 1 0 315.381 0.625 50 0 DCAARO COCc1nc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)no1 ZINC000244873503 395925808 /nfs/dbraw/zinc/92/58/08/395925808.db2.gz WRIJNKNBAKDSSP-NEPJUHHUSA-N 1 0 316.361 0.997 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2C[C@@H](O)CN2CCOCC2)n1 ZINC000229515135 395874545 /nfs/dbraw/zinc/87/45/45/395874545.db2.gz LPSVLSSURZZPFV-HOTGVXAUSA-N 1 0 323.441 0.052 50 0 DCAARO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000229457711 395874652 /nfs/dbraw/zinc/87/46/52/395874652.db2.gz BGQCNEMKLKBLDL-IAGOWNOFSA-N 1 0 317.433 0.816 50 0 DCAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000060524345 395963057 /nfs/dbraw/zinc/96/30/57/395963057.db2.gz DENVTQCCVNCDAK-QWHCGFSZSA-N 1 0 317.455 0.401 50 0 DCAARO O=C(NCc1cccc(N2CCCC2=O)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000151681022 395990734 /nfs/dbraw/zinc/99/07/34/395990734.db2.gz SXBLCTCVWLIGOK-ZIAGYGMSSA-N 1 0 303.362 0.152 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2nccn2C)[C@H](C)C1 ZINC000252672200 396024172 /nfs/dbraw/zinc/02/41/72/396024172.db2.gz PNJKVODPIZYTSN-CHWSQXEVSA-N 1 0 314.455 0.958 50 0 DCAARO Nc1nc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H]3C4)CC2)cc(=O)[nH]1 ZINC000253537025 396030345 /nfs/dbraw/zinc/03/03/45/396030345.db2.gz UFGNHGQPMVDBOP-QWHCGFSZSA-N 1 0 318.425 0.371 50 0 DCAARO Cc1nc(C[NH3+])cc(N2CCC([C@H](O)c3nccn3C)CC2)n1 ZINC000067689303 396030985 /nfs/dbraw/zinc/03/09/85/396030985.db2.gz DSNSKVPOMZMHBX-HNNXBMFYSA-N 1 0 316.409 0.927 50 0 DCAARO COC(=O)N[C@H]1C[NH2+][C@H](C(=O)NCCc2ccc(OC)cc2)C1 ZINC000067758037 396033272 /nfs/dbraw/zinc/03/32/72/396033272.db2.gz NXTKSTKDCPFXSE-OCCSQVGLSA-N 1 0 321.377 0.440 50 0 DCAARO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccncn1 ZINC000257180866 396033980 /nfs/dbraw/zinc/03/39/80/396033980.db2.gz DYADYOAVKGKZSP-GOEBONIOSA-N 1 0 312.373 0.699 50 0 DCAARO Cc1noc([C@@]23C[N@@H+](CCO)C[C@@H]2CCN(C(=O)C(C)C)C3)n1 ZINC000257187855 396035052 /nfs/dbraw/zinc/03/50/52/396035052.db2.gz CNSYVIMTQQKTFO-XJKSGUPXSA-N 1 0 322.409 0.428 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(C(=O)C2CCCC2)CC1 ZINC000257194432 396036129 /nfs/dbraw/zinc/03/61/29/396036129.db2.gz UATLQBNKKBCYPA-CABCVRRESA-N 1 0 323.437 0.349 50 0 DCAARO O=S1(=O)CC[C@@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)C1 ZINC000069739484 396088632 /nfs/dbraw/zinc/08/86/32/396088632.db2.gz RPXQUNGVWTUJMF-MRVPVSSYSA-N 1 0 324.328 0.684 50 0 DCAARO C[NH+](C)CC(=O)N1CCN(C(=O)/C=C/c2ccccn2)CC1 ZINC000069771129 396089682 /nfs/dbraw/zinc/08/96/82/396089682.db2.gz OPNXLFZLGAHHTQ-VOTSOKGWSA-N 1 0 302.378 0.327 50 0 DCAARO O=C(CC[N@H+]1CCC[C@H]1CO)N1CCN(c2ccccn2)CC1 ZINC000069779577 396090146 /nfs/dbraw/zinc/09/01/46/396090146.db2.gz WYYWSGIJNRVMHT-HNNXBMFYSA-N 1 0 318.421 0.577 50 0 DCAARO COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000069951652 396095955 /nfs/dbraw/zinc/09/59/55/396095955.db2.gz KRUALKYMSVWOBP-SMDDNHRTSA-N 1 0 318.377 0.933 50 0 DCAARO CN(Cc1cccs1)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000070018157 396098397 /nfs/dbraw/zinc/09/83/97/396098397.db2.gz ULZILCOLACZBRK-CYBMUJFWSA-N 1 0 311.451 0.969 50 0 DCAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC000071144703 396110443 /nfs/dbraw/zinc/11/04/43/396110443.db2.gz CJRSVRKIAVSHKK-NSHDSACASA-N 1 0 314.407 0.934 50 0 DCAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)CCO1 ZINC000071821634 396115906 /nfs/dbraw/zinc/11/59/06/396115906.db2.gz KOYIBBZIBQZFBJ-LLVKDONJSA-N 1 0 306.366 0.508 50 0 DCAARO CC(=O)N1CCN(CC[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000071819582 396116025 /nfs/dbraw/zinc/11/60/25/396116025.db2.gz QBRYFCGZILIWNN-UHFFFAOYSA-N 1 0 307.442 0.961 50 0 DCAARO C[C@@H]1C[NH+](C[C@H](O)Cn2c(CO)nc3ccccc32)C[C@@H](C)O1 ZINC000071824984 396116673 /nfs/dbraw/zinc/11/66/73/396116673.db2.gz CVRLBQKPQXKUMD-MCIONIFRSA-N 1 0 319.405 0.999 50 0 DCAARO Cc1cnn(C[C@@H]2CCC[N@H+]2CCCS(=O)(=O)N(C)C)c1 ZINC000071876026 396121871 /nfs/dbraw/zinc/12/18/71/396121871.db2.gz YQOBJEFRDTVXST-AWEZNQCLSA-N 1 0 314.455 0.937 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000071880585 396122533 /nfs/dbraw/zinc/12/25/33/396122533.db2.gz LAJLSZKREBSRQK-HZPDHXFCSA-N 1 0 323.437 0.711 50 0 DCAARO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)Cn2cc(C)cn2)C1 ZINC000072253197 396127319 /nfs/dbraw/zinc/12/73/19/396127319.db2.gz ATXKMJPBKGQIAD-ZFWWWQNUSA-N 1 0 321.425 0.297 50 0 DCAARO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)C(=O)N1CCCC1 ZINC000072300479 396130575 /nfs/dbraw/zinc/13/05/75/396130575.db2.gz AIXSNROCOPGPJS-AVGNSLFASA-N 1 0 317.455 0.257 50 0 DCAARO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)N1CCc2ccccc21 ZINC000069528604 396082076 /nfs/dbraw/zinc/08/20/76/396082076.db2.gz ZEINOANURFEAEM-DZGCQCFKSA-N 1 0 303.406 0.884 50 0 DCAARO c1cc2n(n1)C[C@@H](C[NH2+]C1CCN(c3ncccn3)CC1)CN2 ZINC000069598157 396084301 /nfs/dbraw/zinc/08/43/01/396084301.db2.gz DTHYJYTVLJDVFO-ZDUSSCGKSA-N 1 0 313.409 0.973 50 0 DCAARO Cc1cc(=O)c(O)c(CN2CC[NH+](C3CCOCC3)CC2)n1C ZINC000079490347 396265949 /nfs/dbraw/zinc/26/59/49/396265949.db2.gz IBNSLJWVWJXNFV-UHFFFAOYSA-N 1 0 321.421 0.696 50 0 DCAARO CN(CCO)Cc1nnc(C2CCN(CC(C)(C)[NH3+])CC2)n1C ZINC000077286924 396217146 /nfs/dbraw/zinc/21/71/46/396217146.db2.gz DAAJKXAYSAWCFX-UHFFFAOYSA-N 1 0 324.473 0.156 50 0 DCAARO O=C(c1ccncc1)N1CCC([N@@H+]2CCOC[C@H](CO)C2)CC1 ZINC000077319598 396217993 /nfs/dbraw/zinc/21/79/93/396217993.db2.gz BEVXBMHGVMESLS-AWEZNQCLSA-N 1 0 319.405 0.627 50 0 DCAARO [NH3+]CCn1cc(C(=O)NCCOCc2ccc(Cl)cc2)nn1 ZINC000077422502 396221743 /nfs/dbraw/zinc/22/17/43/396221743.db2.gz UVCKRGAKNXXVKF-UHFFFAOYSA-N 1 0 323.784 0.837 50 0 DCAARO COCC[N@@H+]1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000077555786 396226185 /nfs/dbraw/zinc/22/61/85/396226185.db2.gz PJFWQOAAVKPLCX-AWEZNQCLSA-N 1 0 323.441 0.473 50 0 DCAARO Cc1cc(N2CC[C@@H]([NH2+]Cc3c(C)cnn3C)C2=O)n(C)n1 ZINC000286296804 396386402 /nfs/dbraw/zinc/38/64/02/396386402.db2.gz CGLDWZJJILOKCK-GFCCVEGCSA-N 1 0 302.382 0.666 50 0 DCAARO O=C(C1CC[NH2+]CC1)N1CCCN(C(=O)C(F)(F)F)CC1 ZINC000584890065 396632915 /nfs/dbraw/zinc/63/29/15/396632915.db2.gz AVJHDZZUTKLNHS-UHFFFAOYSA-N 1 0 307.316 0.609 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cnc2ccccn2c1=O ZINC000584888588 396633088 /nfs/dbraw/zinc/63/30/88/396633088.db2.gz NCBLEZYVYAIAFC-STQMWFEESA-N 1 0 316.361 0.143 50 0 DCAARO CC(C)C[NH+]1CCN(C(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1 ZINC000584892220 396633881 /nfs/dbraw/zinc/63/38/81/396633881.db2.gz SVGWOQRUNLADQC-GFCCVEGCSA-N 1 0 313.467 0.797 50 0 DCAARO COc1cccc2c(=O)n(C[C@@H]3COCC[N@H+](C)C3)cnc12 ZINC000584891446 396634002 /nfs/dbraw/zinc/63/40/02/396634002.db2.gz YLDDOBKEKQBCHA-GFCCVEGCSA-N 1 0 303.362 0.983 50 0 DCAARO C[C@@H](CN1CCOCC1)[NH2+]Cc1cccnc1-n1cncn1 ZINC000584895901 396635036 /nfs/dbraw/zinc/63/50/36/396635036.db2.gz VEMZCTXHAGQSLG-ZDUSSCGKSA-N 1 0 302.382 0.473 50 0 DCAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CCC(CC(N)=O)CC2)C1 ZINC000584899110 396636341 /nfs/dbraw/zinc/63/63/41/396636341.db2.gz NNCQFMWLJPIHSY-AWEZNQCLSA-N 1 0 311.426 0.600 50 0 DCAARO COc1ccc2ncn(C[C@H](O)C[NH+]3CCCC3)c(=O)c2c1 ZINC000584901254 396636459 /nfs/dbraw/zinc/63/64/59/396636459.db2.gz GQVLMCPAHYNCQP-GFCCVEGCSA-N 1 0 303.362 0.862 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(CN2CCOCC2)c1 ZINC000124725044 158246880 /nfs/dbraw/zinc/24/68/80/158246880.db2.gz YXRVSMJGSNDHSL-CQSZACIVSA-N 1 0 303.406 0.953 50 0 DCAARO C[NH+]1CCC(O)(CNC(=O)NCc2ccc(C(N)=O)cc2)CC1 ZINC000354960922 287172408 /nfs/dbraw/zinc/17/24/08/287172408.db2.gz PALCGNCZXLVAKF-UHFFFAOYSA-N 1 0 320.393 0.041 50 0 DCAARO CC[C@H](CO)[NH2+]C[C@@H](O)COCc1ccc(OC)c(OC)c1 ZINC000006949346 415138383 /nfs/dbraw/zinc/13/83/83/415138383.db2.gz WKVXFLZYMPZSLW-ZIAGYGMSSA-N 1 0 313.394 0.942 50 0 DCAARO CCOC(=O)[C@@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000026898123 415170716 /nfs/dbraw/zinc/17/07/16/415170716.db2.gz LZGWVFHDPJDBQA-LLVKDONJSA-N 1 0 311.382 0.592 50 0 DCAARO C[NH+](C)C(C)(C)CNC(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000044908672 415232784 /nfs/dbraw/zinc/23/27/84/415232784.db2.gz WCXBCICOFZJXBZ-UHFFFAOYSA-N 1 0 320.368 0.992 50 0 DCAARO O=C(Cn1nc2ccccn2c1=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044934369 415233985 /nfs/dbraw/zinc/23/39/85/415233985.db2.gz JKPGXLXROOQIKJ-GFCCVEGCSA-N 1 0 315.377 0.097 50 0 DCAARO NC(=O)C1CC[NH+](CCCNC(=O)Nc2ccncc2)CC1 ZINC000046428937 415259847 /nfs/dbraw/zinc/25/98/47/415259847.db2.gz LZAUOMKACRMHOA-UHFFFAOYSA-N 1 0 305.382 0.791 50 0 DCAARO CC(C)[C@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)[NH+](C)C ZINC000044870161 415228170 /nfs/dbraw/zinc/22/81/70/415228170.db2.gz GVTVUWKGVHZKNS-OLZOCXBDSA-N 1 0 319.471 0.503 50 0 DCAARO Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000050253574 415312068 /nfs/dbraw/zinc/31/20/68/415312068.db2.gz ADJGSMVBGJFTGX-LBPRGKRZSA-N 1 0 300.428 0.705 50 0 DCAARO O[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)COc1ccccc1 ZINC000058307296 415340100 /nfs/dbraw/zinc/34/01/00/415340100.db2.gz JWLBVYVCBGYCSR-UONOGXRCSA-N 1 0 302.378 0.954 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2cccnc2N(C)C)C1 ZINC000069633316 415399237 /nfs/dbraw/zinc/39/92/37/415399237.db2.gz CHFDQCIRVKHEBG-ZDUSSCGKSA-N 1 0 306.410 0.846 50 0 DCAARO CCOCCn1nc(C)cc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000072149436 415408730 /nfs/dbraw/zinc/40/87/30/415408730.db2.gz HUJAROANDNHGTG-MRXNPFEDSA-N 1 0 324.425 0.367 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cn3cc(Cl)cnc3n2)C1 ZINC000072140070 415411692 /nfs/dbraw/zinc/41/16/92/415411692.db2.gz BXWUBHBOYJCGGC-AWEZNQCLSA-N 1 0 323.784 0.521 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)COCc1ccccc1 ZINC000067677266 415377599 /nfs/dbraw/zinc/37/75/99/415377599.db2.gz GTVCGLKBWFMDMY-KBPBESRZSA-N 1 0 305.378 0.268 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000067676016 415378924 /nfs/dbraw/zinc/37/89/24/415378924.db2.gz DPFVUNRAMHODOE-RYUDHWBXSA-N 1 0 319.361 0.022 50 0 DCAARO COc1ccccc1CNC(=O)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000075133364 415437864 /nfs/dbraw/zinc/43/78/64/415437864.db2.gz SCKPVOJEFIEGLG-AWEZNQCLSA-N 1 0 307.394 0.232 50 0 DCAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)ccc1F ZINC000091779993 415539439 /nfs/dbraw/zinc/53/94/39/415539439.db2.gz ZAQHBTUCQNRVAD-HUUCEWRRSA-N 1 0 324.396 0.739 50 0 DCAARO Cc1cc(C)n(CCn2cc([C@@H]3CCC[NH2+]C3)nn2)c(=O)n1 ZINC000095355258 415551730 /nfs/dbraw/zinc/55/17/30/415551730.db2.gz ZJNKYIDMFCBWBK-CYBMUJFWSA-N 1 0 302.382 0.619 50 0 DCAARO CC(C)CN1CC2(CC1=O)CCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC000095380064 415557861 /nfs/dbraw/zinc/55/78/61/415557861.db2.gz CIBOONMAHQFWTL-KGLIPLIRSA-N 1 0 323.437 0.206 50 0 DCAARO C[C@@H]1C[NH+](C[C@@H](O)Cn2c(CO)nc3ccccc32)C[C@@H](C)O1 ZINC000106830500 415647567 /nfs/dbraw/zinc/64/75/67/415647567.db2.gz CVRLBQKPQXKUMD-MGPQQGTHSA-N 1 0 319.405 0.999 50 0 DCAARO [NH3+]Cc1cccc(NC(=O)N2CCN(CCOCCO)CC2)c1 ZINC000097785013 415588824 /nfs/dbraw/zinc/58/88/24/415588824.db2.gz STGFAMBUIVDXBT-UHFFFAOYSA-N 1 0 322.409 0.304 50 0 DCAARO CNC(=O)CC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425985363 287321279 /nfs/dbraw/zinc/32/12/79/287321279.db2.gz PXTKLOCBQPVCPA-QGZVFWFLSA-N 1 0 305.422 0.691 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H](C)CO1 ZINC000299739146 416064136 /nfs/dbraw/zinc/06/41/36/416064136.db2.gz LDSZKMKBOADNCS-YRGRVCCFSA-N 1 0 313.423 0.630 50 0 DCAARO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C(=O)N1c1ccccc1 ZINC000299750221 416064939 /nfs/dbraw/zinc/06/49/39/416064939.db2.gz MXLNWUSGAIZWBY-ZRJCITRHSA-N 1 0 303.362 0.019 50 0 DCAARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cncc(F)c2)C1 ZINC000299768789 416066290 /nfs/dbraw/zinc/06/62/90/416066290.db2.gz MJCPOTMOWPDLMI-NSHDSACASA-N 1 0 323.372 0.930 50 0 DCAARO COCCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[NH2+]CC2 ZINC000299765462 416066513 /nfs/dbraw/zinc/06/65/13/416066513.db2.gz BCZMZEMSRSKMPS-LBPRGKRZSA-N 1 0 309.414 0.664 50 0 DCAARO COCC[N@@H+]1CCC[C@H](C(=O)NCc2nc(C)cc(=O)[nH]2)C1 ZINC000299786080 416069316 /nfs/dbraw/zinc/06/93/16/416069316.db2.gz LWMPSIIADFXULI-LBPRGKRZSA-N 1 0 308.382 0.465 50 0 DCAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1COCCO1 ZINC000299803104 416071281 /nfs/dbraw/zinc/07/12/81/416071281.db2.gz WTPAZKVSKLGBHJ-HNNXBMFYSA-N 1 0 305.378 0.578 50 0 DCAARO CC(C)CNC(=O)CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000252506375 416334588 /nfs/dbraw/zinc/33/45/88/416334588.db2.gz RLDUZGOSCXSALO-KKUMJFAQSA-N 1 0 322.453 0.884 50 0 DCAARO CCCn1ccnc1CN1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000216379599 416327434 /nfs/dbraw/zinc/32/74/34/416327434.db2.gz JWAMMDFKHDLDRE-UHFFFAOYSA-N 1 0 303.370 0.369 50 0 DCAARO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000241401139 416330171 /nfs/dbraw/zinc/33/01/71/416330171.db2.gz NBLFXQPBUVNTGB-WFASDCNBSA-N 1 0 308.378 0.775 50 0 DCAARO Cc1nc([C@H]2CCCN2S(=O)(=O)CC[NH+]2CCCC2)no1 ZINC000242147526 416330369 /nfs/dbraw/zinc/33/03/69/416330369.db2.gz WSKZFNKVHLPACM-GFCCVEGCSA-N 1 0 314.411 0.941 50 0 DCAARO Nc1nc(NCc2nnc3n2CCC3)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000243901834 416330472 /nfs/dbraw/zinc/33/04/72/416330472.db2.gz BEMVSNZRGYTVES-DTORHVGOSA-N 1 0 300.370 0.413 50 0 DCAARO CNc1ncc(CN(C)c2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)cn1 ZINC000243914762 416330605 /nfs/dbraw/zinc/33/06/05/416330605.db2.gz BKJZCVYWJMHDAJ-PHIMTYICSA-N 1 0 315.381 0.765 50 0 DCAARO COCCc1noc([C@@H]2CCC[N@H+](CCn3cc[nH]c3=O)C2)n1 ZINC000244735057 416330908 /nfs/dbraw/zinc/33/09/08/416330908.db2.gz NSLDXTHCOGDLNQ-GFCCVEGCSA-N 1 0 321.381 0.628 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C[C@H](C)[NH2+]1 ZINC000246566377 416332022 /nfs/dbraw/zinc/33/20/22/416332022.db2.gz BAGCBKJVODXIIP-RGOKHQFPSA-N 1 0 307.316 0.652 50 0 DCAARO CC(C)Oc1cc(N[C@H]2COC[C@@H]2[NH+]2CCCC2)nc(N)n1 ZINC000584903692 416516891 /nfs/dbraw/zinc/51/68/91/416516891.db2.gz SXRDFLJHQDBDPM-RYUDHWBXSA-N 1 0 307.398 1.121 50 0 DCAARO COCCC1(NS(=O)(=O)N(C)C)CC[NH+](CC2CC2)CC1 ZINC000575547435 417539155 /nfs/dbraw/zinc/53/91/55/417539155.db2.gz ZXTVJAYQWWTAPB-UHFFFAOYSA-N 1 0 319.471 0.664 50 0 DCAARO O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299748087 229392059 /nfs/dbraw/zinc/39/20/59/229392059.db2.gz FXYPFINZCUVCPB-WCQGTBRESA-N 1 0 323.780 0.284 50 0 DCAARO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000528635478 272653928 /nfs/dbraw/zinc/65/39/28/272653928.db2.gz BLMSUEHWXFNKMO-LSDHHAIUSA-N 1 0 309.410 0.498 50 0 DCAARO CC1(C)CNC(=O)c2[nH]c(CC[NH+]3CCC(O)CC3)nc2C1 ZINC000095364724 275852672 /nfs/dbraw/zinc/85/26/72/275852672.db2.gz SWPSZNNPHNJHQS-UHFFFAOYSA-N 1 0 306.410 0.721 50 0 DCAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1c2cc(C)nn2CCC1=O ZINC000015728556 276099169 /nfs/dbraw/zinc/09/91/69/276099169.db2.gz IZDSLCKGEIHOEO-ZDUSSCGKSA-N 1 0 321.425 0.775 50 0 DCAARO CN1CC[N@@H+]2C[C@@H](NC(=O)c3cc(Cl)c[nH]c3=O)C[C@H]2C1 ZINC000067784205 277115957 /nfs/dbraw/zinc/11/59/57/277115957.db2.gz XKGGYKGUSXMZSU-QWRGUYRKSA-N 1 0 310.785 0.146 50 0 DCAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NCc1noc(C(N)=O)n1 ZINC000534648518 334316565 /nfs/dbraw/zinc/31/65/65/334316565.db2.gz QBZKICJSRRPDQC-LLVKDONJSA-N 1 0 315.377 0.705 50 0 DCAARO C[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)n1ccnc1 ZINC000534666146 334318893 /nfs/dbraw/zinc/31/88/93/334318893.db2.gz ABARPDKBHYQIQL-AWEZNQCLSA-N 1 0 321.425 0.950 50 0 DCAARO CN(Cc1nc(-c2ccncc2)no1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000534661267 334322075 /nfs/dbraw/zinc/32/20/75/334322075.db2.gz JLEXPSJCVOZQSC-GFCCVEGCSA-N 1 0 317.349 0.469 50 0 DCAARO C[NH+]1CCN(CCCn2c(=O)onc2-c2ccccn2)CC1 ZINC000130735279 337383174 /nfs/dbraw/zinc/38/31/74/337383174.db2.gz CJSYJVPZBZZZQW-UHFFFAOYSA-N 1 0 303.366 0.536 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCCO2)CC1=O ZINC000248893929 521633251 /nfs/dbraw/zinc/63/32/51/521633251.db2.gz GFTQCWCADGIKDP-UONOGXRCSA-N 1 0 309.410 0.873 50 0 DCAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1 ZINC000299739405 534692201 /nfs/dbraw/zinc/69/22/01/534692201.db2.gz OBGOPLDIICJIMW-OAHLLOKOSA-N 1 0 303.406 0.940 50 0 DCAARO COC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)Cc2nnc(C3CC3)n2C)C1 ZINC000084304120 545699871 /nfs/dbraw/zinc/69/98/71/545699871.db2.gz QGQQKOJFKBLVRD-KGLIPLIRSA-N 1 0 323.441 0.206 50 0 DCAARO C[NH+]1CCC(N2CCN(C(=O)c3cccc(=O)[nH]3)CC2)CC1 ZINC000215933834 545939242 /nfs/dbraw/zinc/93/92/42/545939242.db2.gz FFMXOFAGQYAOJY-UHFFFAOYSA-N 1 0 304.394 0.227 50 0 DCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000247754970 545968070 /nfs/dbraw/zinc/96/80/70/545968070.db2.gz VTWDQMNVQNEMNN-LSDHHAIUSA-N 1 0 314.389 0.823 50 0 DCAARO Cn1cnnc1C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COCC3)CC1 ZINC000685941808 548746864 /nfs/dbraw/zinc/74/68/64/548746864.db2.gz HQQCNPZGODVDRR-XJKSGUPXSA-N 1 0 319.409 0.147 50 0 DCAARO C[NH+]1CCC(c2ncc(C(=O)N[C@@H]3CCOC[C@H]3O)[nH]2)CC1 ZINC000685943018 548748327 /nfs/dbraw/zinc/74/83/27/548748327.db2.gz ZTXNHWCXPQDDQK-DGCLKSJQSA-N 1 0 308.382 0.099 50 0 DCAARO C[NH+]1CCC(c2ncc(C(=O)N[C@@H]3C=C[C@H](CO)C3)[nH]2)CC1 ZINC000685942816 548748369 /nfs/dbraw/zinc/74/83/69/548748369.db2.gz WHHRURWCFGAWIG-WCQYABFASA-N 1 0 304.394 0.886 50 0 DCAARO COC(=O)[C@H](Cc1ccc(N2CC[NH+](C)CC2)cc1)NC(C)=O ZINC000169805425 568414442 /nfs/dbraw/zinc/41/44/42/568414442.db2.gz KWAUUVCWNJQLCT-INIZCTEOSA-N 1 0 319.405 0.659 50 0 DCAARO Cn1c(CC[NH3+])nnc1SCC[C@H]1CCS(=O)(=O)C1 ZINC000426574736 661623240 /nfs/dbraw/zinc/62/32/40/661623240.db2.gz MYBBFUXPLGILMN-VIFPVBQESA-N 1 0 304.441 0.233 50 0 DCAARO CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000169781286 664561460 /nfs/dbraw/zinc/56/14/60/664561460.db2.gz OPJGMFOUGBTPGK-ZIAGYGMSSA-N 1 0 310.442 0.884 50 0 DCAARO O=C1CCCN1C[C@H]1CCCN(c2ncnc3c2CC[NH2+]C3)C1 ZINC000067871868 665342814 /nfs/dbraw/zinc/34/28/14/665342814.db2.gz YPLHFSQMMKOJDR-CYBMUJFWSA-N 1 0 315.421 0.961 50 0 DCAARO Cn1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cc1=O ZINC000072476985 666314585 /nfs/dbraw/zinc/31/45/85/666314585.db2.gz CTFIFUQTVNUCRH-OAHLLOKOSA-N 1 0 319.405 0.447 50 0 DCAARO O=S(=O)(NC1CCN(c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000864094556 667214045 /nfs/dbraw/zinc/21/40/45/667214045.db2.gz XTEWPPIZMOSALW-UHFFFAOYSA-N 1 0 324.450 0.395 50 0 DCAARO CS(=O)(=O)CCC(=O)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000952971108 685599938 /nfs/dbraw/zinc/59/99/38/685599938.db2.gz HIGOQBKFZNJEPP-UHFFFAOYSA-N 1 0 302.440 0.803 50 0 DCAARO CCC(=O)N1CCC(C(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC000952982979 685601822 /nfs/dbraw/zinc/60/18/22/685601822.db2.gz CXWGJKUHIMKGEL-UHFFFAOYSA-N 1 0 311.426 0.208 50 0 DCAARO Cc1cc(C)nc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000065408315 685064636 /nfs/dbraw/zinc/06/46/36/685064636.db2.gz NAUAKDFIGBKDJM-ZDUSSCGKSA-N 1 0 319.409 0.120 50 0 DCAARO O=C([C@H]1CCC(=O)N1)N1CCC[N@H+](CCCn2cccc2)CC1 ZINC001772703361 1157842917 /nfs/dbraw/zinc/84/29/17/1157842917.db2.gz FOEKCLMQPCGLTO-OAHLLOKOSA-N 1 0 318.421 0.691 50 0 DCAARO Cc1cc(C(=O)N2CCC[N@H+](C[C@@H](O)CO)CC2)ccc1F ZINC001772711603 1157849310 /nfs/dbraw/zinc/84/93/10/1157849310.db2.gz FFWAWYCGPPLTOB-CQSZACIVSA-N 1 0 310.369 0.635 50 0 DCAARO C[NH+]1CCC(O)(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CC1 ZINC001704312237 1179969808 /nfs/dbraw/zinc/96/98/08/1179969808.db2.gz GWULVJRIFNTWCG-CABCVRRESA-N 1 0 319.405 0.212 50 0 DCAARO Cc1nc(N)ncc1C(=O)N1CC[C@@]2(CO)CCC[N@@H+](C)[C@@H]2C1 ZINC001704338879 1179978136 /nfs/dbraw/zinc/97/81/36/1179978136.db2.gz IXXHGWSTIKHSSR-CZUORRHYSA-N 1 0 319.409 0.286 50 0 DCAARO CC[N@H+](C1CN(C(=O)c2cc(C)n(C)n2)C1)C1CCN(C)CC1 ZINC000581799709 747692806 /nfs/dbraw/zinc/69/28/06/747692806.db2.gz MIVOBFWKMXYEBL-UHFFFAOYSA-N 1 0 319.453 0.969 50 0 DCAARO C[NH+]1CCC(O)(CNC(=O)CCCN2CCCCC2=O)CC1 ZINC000823761070 758265289 /nfs/dbraw/zinc/26/52/89/758265289.db2.gz DWAMWNQJGZPYIQ-UHFFFAOYSA-N 1 0 311.426 0.352 50 0 DCAARO Nc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)cc(N2CCOCC2)n1 ZINC000827587273 758869331 /nfs/dbraw/zinc/86/93/31/758869331.db2.gz YAQZKNFTWCGXHC-GFCCVEGCSA-N 1 0 318.425 0.792 50 0 DCAARO Cc1n[nH]c(CCC(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1C ZINC000828710773 759072366 /nfs/dbraw/zinc/07/23/66/759072366.db2.gz CMVSCLOHDPPHCW-AWEZNQCLSA-N 1 0 308.426 0.922 50 0 DCAARO O=c1c2ncccc2ncn1CCC[N@H+]1CCC[C@@H](CO)C1 ZINC000828711298 759073911 /nfs/dbraw/zinc/07/39/11/759073911.db2.gz YYURXXKPSXHXCJ-CYBMUJFWSA-N 1 0 302.378 0.886 50 0 DCAARO COc1ccc(OCC(=O)N2CC[C@@H]([NH+](C)C)[C@@H](CO)C2)cc1 ZINC000581782273 760250160 /nfs/dbraw/zinc/25/01/60/760250160.db2.gz KGKSPMKSHOZIBR-CZUORRHYSA-N 1 0 322.405 0.845 50 0 DCAARO COCCC1CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC1 ZINC001506428016 1017268842 /nfs/dbraw/zinc/26/88/42/1017268842.db2.gz WYWREOSMRUJJNM-LBPRGKRZSA-N 1 0 300.403 0.037 50 0 DCAARO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2O)c(Cl)cc1F ZINC001506425880 1017269793 /nfs/dbraw/zinc/26/97/93/1017269793.db2.gz DZAGXOXPSWGQEP-GHMZBOCLSA-N 1 0 322.789 0.789 50 0 DCAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1ccccc1-c1nc[nH]n1 ZINC000082161261 185174058 /nfs/dbraw/zinc/17/40/58/185174058.db2.gz VKRYXHWDFFGTCK-UHFFFAOYSA-N 1 0 323.360 0.701 50 0 DCAARO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(-n2cccn2)cc1 ZINC000082106843 192356750 /nfs/dbraw/zinc/35/67/50/192356750.db2.gz AZHJBVVNNKHLIB-RYUDHWBXSA-N 1 0 324.381 0.851 50 0 DCAARO CC(C)[NH+]1CCC(CC(=O)NCCc2cc(=O)[nH]cn2)CC1 ZINC000095390626 185351633 /nfs/dbraw/zinc/35/16/33/185351633.db2.gz NTRJFWRYQPTEDM-UHFFFAOYSA-N 1 0 306.410 0.939 50 0 DCAARO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccccc2)C(C)(C)C1 ZINC000095452477 185369208 /nfs/dbraw/zinc/36/92/08/185369208.db2.gz UPFPCEDGGXFQHI-UHFFFAOYSA-N 1 0 311.451 0.991 50 0 DCAARO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000097033603 185399946 /nfs/dbraw/zinc/39/99/46/185399946.db2.gz APVBGNQMMZHXDQ-NSHDSACASA-N 1 0 301.350 0.979 50 0 DCAARO CCCn1ccnc1CN1CC[NH2+][C@@H](C(=O)N2CCCC2)C1 ZINC000072138764 191047592 /nfs/dbraw/zinc/04/75/92/191047592.db2.gz KRYMLXBKOLAFSJ-CQSZACIVSA-N 1 0 305.426 0.689 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)N1CCN(Cc2ccccn2)CC1 ZINC000072122369 191040369 /nfs/dbraw/zinc/04/03/69/191040369.db2.gz OUNGNZHYEFRUAP-HNNXBMFYSA-N 1 0 304.394 0.104 50 0 DCAARO CN1C(=O)CO[C@@H](C(=O)NCCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000072237964 191081676 /nfs/dbraw/zinc/08/16/76/191081676.db2.gz SHCVSWMDYZFIFU-JKSUJKDBSA-N 1 0 319.405 0.653 50 0 DCAARO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H](C[NH3+])C3)cc21 ZINC000172212692 198058636 /nfs/dbraw/zinc/05/86/36/198058636.db2.gz UZFCRIZELRSVNJ-GFCCVEGCSA-N 1 0 323.418 0.565 50 0 DCAARO C[NH+](C)Cc1csc(C[N@@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c1 ZINC000072411882 191156166 /nfs/dbraw/zinc/15/61/66/191156166.db2.gz RBKXQUMEFVXOPG-SWLSCSKDSA-N 1 0 323.418 0.442 50 0 DCAARO COc1cc2c(cc1CNC(=O)c1cn(CC[NH3+])nn1)CCC2 ZINC000077377534 191703747 /nfs/dbraw/zinc/70/37/47/191703747.db2.gz UJKBTFBLTGTRAJ-UHFFFAOYSA-N 1 0 315.377 0.664 50 0 DCAARO C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H]([NH3+])C3)c2)CC1 ZINC000237217887 202194625 /nfs/dbraw/zinc/19/46/25/202194625.db2.gz UFNRQBHVRSFUAZ-INIZCTEOSA-N 1 0 302.422 0.607 50 0 DCAARO Cn1c(=O)cc(C(=O)N2C[C@@H]3[NH2+]CCO[C@H]3C2)c2ccccc21 ZINC000426649623 240353837 /nfs/dbraw/zinc/35/38/37/240353837.db2.gz LMPJPFKHFADYCK-ZFWWWQNUSA-N 1 0 313.357 0.351 50 0 DCAARO COCCc1noc(CN(C)c2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)n1 ZINC000244659670 202486757 /nfs/dbraw/zinc/48/67/57/202486757.db2.gz HGVSVLLARBBYFE-PHIMTYICSA-N 1 0 318.381 0.890 50 0 DCAARO COc1ccccc1OCCNC(=O)CN1CC[N@H+](C)C[C@H]1C ZINC000089939034 192913029 /nfs/dbraw/zinc/91/30/29/192913029.db2.gz ICXHBISOZXPVLL-CQSZACIVSA-N 1 0 321.421 0.826 50 0 DCAARO CC(C)(C)c1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)[nH]c(=O)n1 ZINC000091504898 193065773 /nfs/dbraw/zinc/06/57/73/193065773.db2.gz DJDDTWQFDYUCMT-MNOVXSKESA-N 1 0 304.394 0.877 50 0 DCAARO C[NH+](C)C[C@@H]1CN(Cc2cccc(OCC(N)=O)c2)C[C@@H]1CO ZINC000091656452 193085740 /nfs/dbraw/zinc/08/57/40/193085740.db2.gz KWPAWDHUIXYUFG-HUUCEWRRSA-N 1 0 321.421 0.153 50 0 DCAARO COc1ccc([C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]2[NH3+])cc1 ZINC000091636728 193083123 /nfs/dbraw/zinc/08/31/23/193083123.db2.gz TVVAABBLKUPJKP-OLZOCXBDSA-N 1 0 314.345 0.345 50 0 DCAARO CCn1ccc(C(=O)N2C[C@H](CO)C[C@H](C[NH+](C)C)C2)cc1=O ZINC000091964477 193133653 /nfs/dbraw/zinc/13/36/53/193133653.db2.gz HUJBENKBTPPKBN-ZIAGYGMSSA-N 1 0 321.421 0.500 50 0 DCAARO CC(C)(C[NH2+]C1CCN(CC(F)F)CC1)NS(C)(=O)=O ZINC000096492727 193669744 /nfs/dbraw/zinc/66/97/44/193669744.db2.gz YLGPLLNPGDLTCL-UHFFFAOYSA-N 1 0 313.414 0.633 50 0 DCAARO CCCn1c(NCC[NH+](CC)CC)nc2c1c(=O)[nH]c(=O)n2C ZINC000019525994 182127987 /nfs/dbraw/zinc/12/79/87/182127987.db2.gz AJKDZPLHPRQBSJ-UHFFFAOYSA-N 1 0 322.413 0.999 50 0 biogenic DCAARO CC[N@H+](CCO)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000024672475 182386937 /nfs/dbraw/zinc/38/69/37/182386937.db2.gz ALMSBRPXOCTGPW-UHFFFAOYSA-N 1 0 316.423 0.630 50 0 DCAARO CC[NH+]1CCC(NC(=O)CSc2nnnn2C2CC2)CC1 ZINC000024980508 182397046 /nfs/dbraw/zinc/39/70/46/182397046.db2.gz QBJXBRBYCBYNII-UHFFFAOYSA-N 1 0 310.427 0.701 50 0 DCAARO Cc1cc(C)n2nc(C(=O)NC[C@H](C)[NH+]3CCCC3)nc2n1 ZINC000040540843 183097939 /nfs/dbraw/zinc/09/79/39/183097939.db2.gz KZOUNSTWFJLCGU-LBPRGKRZSA-N 1 0 302.382 0.955 50 0 DCAARO COc1ccc(C[N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000056640776 184016599 /nfs/dbraw/zinc/01/65/99/184016599.db2.gz DRGRFPWGNJRDQD-UHFFFAOYSA-N 1 0 303.362 0.725 50 0 DCAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCNC(=O)C1 ZINC000057139046 184028225 /nfs/dbraw/zinc/02/82/25/184028225.db2.gz KRSNWSUSYFBCFO-OAHLLOKOSA-N 1 0 301.390 0.857 50 0 DCAARO CC(=O)Nc1ccc(CNC(=O)C[NH+]2CCC(CO)CC2)cc1 ZINC000065385389 184333136 /nfs/dbraw/zinc/33/31/36/184333136.db2.gz KMIAHEPPPOVLIP-UHFFFAOYSA-N 1 0 319.405 0.966 50 0 DCAARO CCn1c(C2CC[NH2+]CC2)nn(Cc2nnc(C)s2)c1=O ZINC000065387559 184334018 /nfs/dbraw/zinc/33/40/18/184334018.db2.gz FEEKSEUMANCJIK-UHFFFAOYSA-N 1 0 308.411 0.740 50 0 DCAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CC(n3nc(C)cc3C)C2)C1 ZINC000065407359 184339206 /nfs/dbraw/zinc/33/92/06/184339206.db2.gz RBBPPCWSUUXDNW-CQSZACIVSA-N 1 0 306.410 0.852 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]1CCCN1C ZINC000065478061 184352433 /nfs/dbraw/zinc/35/24/33/184352433.db2.gz HHCNLHXPHYTEKR-CQSZACIVSA-N 1 0 307.442 0.749 50 0 DCAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCNC(=O)C1 ZINC000065530517 184361107 /nfs/dbraw/zinc/36/11/07/184361107.db2.gz BFFSPDKGKAHHCJ-UHFFFAOYSA-N 1 0 301.390 0.824 50 0 DCAARO NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000065536990 184362236 /nfs/dbraw/zinc/36/22/36/184362236.db2.gz BLRPMIALKXHSPO-NSHDSACASA-N 1 0 324.406 0.692 50 0 DCAARO Cc1oc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1S(N)(=O)=O ZINC000237523571 257238665 /nfs/dbraw/zinc/23/86/65/257238665.db2.gz HUOSDJBTZYAZHO-SCZZXKLOSA-N 1 0 315.395 0.435 50 0 DCAARO CCO[C@H]1C[N@H+](CC)C[C@@H]1NC(=O)c1nnc2nc(C)ccn21 ZINC000426689157 257244011 /nfs/dbraw/zinc/24/40/11/257244011.db2.gz JHDBPJPTOUHIMA-RYUDHWBXSA-N 1 0 318.381 0.272 50 0 DCAARO CC(C)c1nccc(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000426623187 257245081 /nfs/dbraw/zinc/24/50/81/257245081.db2.gz HPOJBXRDAZCWGE-GFCCVEGCSA-N 1 0 319.409 0.527 50 0 DCAARO [NH3+]CCOc1ccc(CC(=O)N2CCC[C@](O)(CO)CC2)cc1 ZINC000426613661 257245171 /nfs/dbraw/zinc/24/51/71/257245171.db2.gz ROWSUXJURVEPGL-QGZVFWFLSA-N 1 0 322.405 0.303 50 0 DCAARO C[C@H](C(=O)N1CCN(c2ncc[nH]c2=O)CC1)[NH+]1CCCCC1 ZINC000426518334 257248045 /nfs/dbraw/zinc/24/80/45/257248045.db2.gz OCYQQZXVNYWKEO-CYBMUJFWSA-N 1 0 319.409 0.293 50 0 DCAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)N1CCn2cncc2C1 ZINC000426421866 257250123 /nfs/dbraw/zinc/25/01/23/257250123.db2.gz MIVILHFZFPRNHC-CYBMUJFWSA-N 1 0 314.393 0.589 50 0 DCAARO Cc1cc(=O)[nH]c(CCNC(=O)c2cccc(OCC[NH3+])c2)n1 ZINC000426429866 257250212 /nfs/dbraw/zinc/25/02/12/257250212.db2.gz VWZPCSXKUHFWDQ-UHFFFAOYSA-N 1 0 316.361 0.801 50 0 DCAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCC1CCOCC1 ZINC000426395941 257252110 /nfs/dbraw/zinc/25/21/10/257252110.db2.gz KUDRORMOIOKEHN-AWEZNQCLSA-N 1 0 306.410 0.893 50 0 DCAARO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1C[C@H](O)[C@@H](O)C2 ZINC000011592715 395686638 /nfs/dbraw/zinc/68/66/38/395686638.db2.gz VWPOSFSPZNDTMJ-QEJZJMRPSA-N 1 0 309.406 0.635 50 0 DCAARO COc1cccc2c1OC[C@H]([NH2+]CCSc1nnnn1C)C2 ZINC000014971829 395689736 /nfs/dbraw/zinc/68/97/36/395689736.db2.gz MVOCKDABUSBBDN-LLVKDONJSA-N 1 0 321.406 0.904 50 0 DCAARO CC[NH+]1CCN(c2nc(NCCCO)nc3c2cnn3C)CC1 ZINC000021930114 395691693 /nfs/dbraw/zinc/69/16/93/395691693.db2.gz AYTBLRVKGIJELD-UHFFFAOYSA-N 1 0 319.413 0.300 50 0 DCAARO COc1cc2c(cc1O)CCN(C[C@@H](O)C[NH2+]CCO)[C@@H]2C ZINC000001837058 395681301 /nfs/dbraw/zinc/68/13/01/395681301.db2.gz ORRQVCLFTXFXAG-YPMHNXCESA-N 1 0 310.394 0.263 50 0 biogenic DCAARO Cc1cc(OC[C@@H](O)C[NH+](CCO)CCO)ccc1Cl ZINC000002451896 395681512 /nfs/dbraw/zinc/68/15/12/395681512.db2.gz HVTOTVKARVYUNM-LBPRGKRZSA-N 1 0 303.786 0.675 50 0 DCAARO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H](O)C3CC3)CC2)no1 ZINC000085436848 395700458 /nfs/dbraw/zinc/70/04/58/395700458.db2.gz MGIUGWLBZMJWEX-CYBMUJFWSA-N 1 0 308.382 0.310 50 0 DCAARO O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)NC1CCCCC1 ZINC000085436832 395700487 /nfs/dbraw/zinc/70/04/87/395700487.db2.gz CPIBOGVUSJSQEN-MRXNPFEDSA-N 1 0 309.454 0.824 50 0 DCAARO CCC[NH+]1CCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000032611588 395711345 /nfs/dbraw/zinc/71/13/45/395711345.db2.gz IXCHXVBXCKEBRW-UHFFFAOYSA-N 1 0 306.391 0.924 50 0 DCAARO CCC[NH+]1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000028223341 395695819 /nfs/dbraw/zinc/69/58/19/395695819.db2.gz SNHCKLRHBPMJOH-ZDUSSCGKSA-N 1 0 317.455 0.212 50 0 DCAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000037822448 395729331 /nfs/dbraw/zinc/72/93/31/395729331.db2.gz KYNWDASZMVEUST-MELADBBJSA-N 1 0 310.781 0.963 50 0 DCAARO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H]([NH3+])CO)C3)cc1 ZINC000096153061 395746744 /nfs/dbraw/zinc/74/67/44/395746744.db2.gz IGKOLGYIRUOVSL-LBPRGKRZSA-N 1 0 316.361 0.290 50 0 DCAARO C[C@@H](CC(=O)NCC(C)(C)S(C)(=O)=O)[C@@H]1CCC[NH2+]C1 ZINC000096476272 395753781 /nfs/dbraw/zinc/75/37/81/395753781.db2.gz ACPOMFUHWRKEMR-NWDGAFQWSA-N 1 0 304.456 0.952 50 0 DCAARO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000096476647 395753849 /nfs/dbraw/zinc/75/38/49/395753849.db2.gz GVPQPTUSVWDEQN-SNVBAGLBSA-N 1 0 310.379 0.938 50 0 DCAARO CNC(=O)c1cccc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000096453206 395753957 /nfs/dbraw/zinc/75/39/57/395753957.db2.gz CPEQXLISHODHMM-CYBMUJFWSA-N 1 0 304.394 0.742 50 0 DCAARO CN(Cc1ccccc1)C(=O)CC[N@@H+]1CC[C@@](C)(O)[C@@H](O)C1 ZINC000097301408 395757054 /nfs/dbraw/zinc/75/70/54/395757054.db2.gz IILRNQMXOXLZSP-DOTOQJQBSA-N 1 0 306.406 0.853 50 0 DCAARO CC1(C)SC[C@H](C(=O)NCc2ccc(C[NH3+])cc2)NC1=O ZINC000097370318 395757217 /nfs/dbraw/zinc/75/72/17/395757217.db2.gz ABBNNOYLSGHYCH-GFCCVEGCSA-N 1 0 307.419 0.772 50 0 DCAARO Cc1cc(C)n(CC[N@@H+]2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)n1 ZINC000107059295 395784456 /nfs/dbraw/zinc/78/44/56/395784456.db2.gz CAJANTPIEWSKSO-CJNGLKHVSA-N 1 0 319.409 0.810 50 0 DCAARO Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000097499667 395758584 /nfs/dbraw/zinc/75/85/84/395758584.db2.gz KESMLXQSSOMSOR-NSHDSACASA-N 1 0 311.407 0.514 50 0 DCAARO O=C(CCc1cn[nH]c1)N1CC[N@H+](CC2CCC2)C[C@@H](O)C1 ZINC000097610212 395759026 /nfs/dbraw/zinc/75/90/26/395759026.db2.gz BHFYZZNMLJLSRN-OAHLLOKOSA-N 1 0 306.410 0.648 50 0 DCAARO O=C(CC[NH+]1CCCC1)N1CCN(Cc2ccco2)C[C@@H](O)C1 ZINC000097674356 395759883 /nfs/dbraw/zinc/75/98/83/395759883.db2.gz MKABDGKHOQOCQI-OAHLLOKOSA-N 1 0 321.421 0.771 50 0 DCAARO O=C(NC[C@H](O)C[NH+]1CCCC1)c1cc(C(F)(F)F)n[nH]1 ZINC000097675250 395760061 /nfs/dbraw/zinc/76/00/61/395760061.db2.gz ZYVBIHMQXYZXIB-QMMMGPOBSA-N 1 0 306.288 0.615 50 0 DCAARO CCNC(=O)CC[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000046503613 395777909 /nfs/dbraw/zinc/77/79/09/395777909.db2.gz SXCDUHWMJNRZQX-UHFFFAOYSA-N 1 0 315.421 0.978 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)Cn2ccnc2)C1 ZINC000048364937 395814246 /nfs/dbraw/zinc/81/42/46/395814246.db2.gz QYKLIZKZMGNNHW-LSDHHAIUSA-N 1 0 323.441 0.928 50 0 DCAARO CN(C)C(=O)NCC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000220295572 395847718 /nfs/dbraw/zinc/84/77/18/395847718.db2.gz QLVDENOXVHXCHU-UHFFFAOYSA-N 1 0 319.409 0.433 50 0 DCAARO Cc1ncn(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)c1C ZINC000220739617 395849542 /nfs/dbraw/zinc/84/95/42/395849542.db2.gz UJXCCTMTVOHWRB-XLNGHYISSA-N 1 0 318.421 0.868 50 0 DCAARO CO[C@@H]1COCC[C@H]1NC(=O)CN1CCOc2ccccc2C1 ZINC000222552415 395852558 /nfs/dbraw/zinc/85/25/58/395852558.db2.gz IUGFECBIEXTALH-GDBMZVCRSA-N 1 0 320.389 0.801 50 0 DCAARO O=C(Cc1ccc2c(c1)OCO2)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000223298311 395855108 /nfs/dbraw/zinc/85/51/08/395855108.db2.gz MCAZONFZOKWWSC-KBPBESRZSA-N 1 0 318.373 0.937 50 0 DCAARO COCCOC1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000223501588 395855638 /nfs/dbraw/zinc/85/56/38/395855638.db2.gz ZYWHBWKXZXAEAB-UHFFFAOYSA-N 1 0 321.425 0.895 50 0 DCAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000237440862 395912480 /nfs/dbraw/zinc/91/24/80/395912480.db2.gz OYBMTXYIANBUPM-SDDRHHMPSA-N 1 0 305.382 0.348 50 0 DCAARO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)NC(N)=O)C[C@H](C)O1 ZINC000055870350 395923267 /nfs/dbraw/zinc/92/32/67/395923267.db2.gz TWKCIENIRPEZQC-RYUDHWBXSA-N 1 0 320.393 0.903 50 0 DCAARO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)NC(N)=O)C[C@@H](C)O1 ZINC000055870351 395923273 /nfs/dbraw/zinc/92/32/73/395923273.db2.gz TWKCIENIRPEZQC-VXGBXAGGSA-N 1 0 320.393 0.903 50 0 DCAARO O=C(CC[N@H+]1CCC[C@@H]1CO)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000244816967 395925475 /nfs/dbraw/zinc/92/54/75/395925475.db2.gz SRXACOFURFTKHQ-LLVKDONJSA-N 1 0 304.350 0.642 50 0 DCAARO CCn1c(CN2CCN(CCOC)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244866403 395926342 /nfs/dbraw/zinc/92/63/42/395926342.db2.gz VVMPZGTZTXHFSE-HDJSIYSDSA-N 1 0 322.457 0.267 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CCCN1c1cn[nH]c(=O)c1Cl ZINC000225506378 395861571 /nfs/dbraw/zinc/86/15/71/395861571.db2.gz VXWOIECKQHIJFU-JTQLQIEISA-N 1 0 300.790 0.970 50 0 DCAARO C[NH+](C)CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000225854771 395864524 /nfs/dbraw/zinc/86/45/24/395864524.db2.gz FLUHWQGJVSMYJH-UHFFFAOYSA-N 1 0 310.301 0.778 50 0 DCAARO CN(CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)c1cnccn1 ZINC000229422459 395874907 /nfs/dbraw/zinc/87/49/07/395874907.db2.gz YZZUHGVMQYBOAY-UONOGXRCSA-N 1 0 303.410 0.998 50 0 DCAARO C[NH+](C)C[C@H]1CN(C[C@@H](O)c2ccc3c(c2)OCO3)CCO1 ZINC000229555142 395875923 /nfs/dbraw/zinc/87/59/23/395875923.db2.gz STDUVQMYBDVGCD-UONOGXRCSA-N 1 0 308.378 0.711 50 0 DCAARO NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000057174195 395940448 /nfs/dbraw/zinc/94/04/48/395940448.db2.gz AVWGNDJOFLKKSK-GJZGRUSLSA-N 1 0 301.390 0.985 50 0 DCAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1 ZINC000247003551 395963700 /nfs/dbraw/zinc/96/37/00/395963700.db2.gz OCDWKPYPZANZIT-AVGNSLFASA-N 1 0 305.444 0.272 50 0 DCAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000248061822 395982041 /nfs/dbraw/zinc/98/20/41/395982041.db2.gz DENVTQCCVNCDAK-CHWSQXEVSA-N 1 0 317.455 0.401 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNc1cc(N2CCOCC2)nc(N)n1 ZINC000065374529 395992816 /nfs/dbraw/zinc/99/28/16/395992816.db2.gz HLZISVUIKOZJQZ-LBPRGKRZSA-N 1 0 306.414 0.792 50 0 DCAARO Cn1nccc1CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000253421174 396028225 /nfs/dbraw/zinc/02/82/25/396028225.db2.gz REHKBIMIPWWFHA-OAHLLOKOSA-N 1 0 306.410 0.676 50 0 DCAARO C[C@@H]1C[N@@H+](CCC(=O)NCC[C@@H]2CN(C)CCO2)C[C@H](C)O1 ZINC000067881643 396038185 /nfs/dbraw/zinc/03/81/85/396038185.db2.gz VJENAROFBRTPNC-QLFBSQMISA-N 1 0 313.442 0.323 50 0 DCAARO Cc1ccncc1C(=O)N1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000067973866 396041693 /nfs/dbraw/zinc/04/16/93/396041693.db2.gz XPLDYNJIOXUMIU-UHFFFAOYSA-N 1 0 316.405 0.817 50 0 DCAARO CCOC(=O)N[C@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000069670244 396086996 /nfs/dbraw/zinc/08/69/96/396086996.db2.gz GTQOBKSDZDGWGB-JTQLQIEISA-N 1 0 300.359 0.172 50 0 DCAARO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000069737530 396088221 /nfs/dbraw/zinc/08/82/21/396088221.db2.gz BGQCNEMKLKBLDL-SJORKVTESA-N 1 0 317.433 0.816 50 0 DCAARO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)Cn2cc(C)cn2)CC1 ZINC000069814985 396091237 /nfs/dbraw/zinc/09/12/37/396091237.db2.gz QFUQHHSVHFJNSU-GJZGRUSLSA-N 1 0 307.442 0.722 50 0 DCAARO Cc1ccc2nc(C[NH2+][C@H]3CCc4ncnn4C3)cc(=O)n2c1 ZINC000069949728 396096172 /nfs/dbraw/zinc/09/61/72/396096172.db2.gz PBYUGPKZYPTEAG-LBPRGKRZSA-N 1 0 310.361 0.699 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)N3CCNC3=O)C2)n1 ZINC000069979418 396096883 /nfs/dbraw/zinc/09/68/83/396096883.db2.gz DXOQPMIZRQQRIT-ZDUSSCGKSA-N 1 0 320.397 0.159 50 0 DCAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCNC(=O)C1 ZINC000071839317 396117654 /nfs/dbraw/zinc/11/76/54/396117654.db2.gz LGZUAPWGLQBRIK-CQSZACIVSA-N 1 0 319.380 0.996 50 0 DCAARO O=C(Cn1nc2ccccn2c1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839840 396118732 /nfs/dbraw/zinc/11/87/32/396118732.db2.gz BDDBCKUCCXYGBM-CYBMUJFWSA-N 1 0 315.377 0.193 50 0 DCAARO COc1cc(C)nc(N2CCN(C(=O)C[NH2+]C(C)(C)C)CC2)n1 ZINC000071864023 396119402 /nfs/dbraw/zinc/11/94/02/396119402.db2.gz CDMNZPOZASFFEW-UHFFFAOYSA-N 1 0 321.425 0.830 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(C[C@H](O)COCc2cccs2)CC1 ZINC000071877165 396121515 /nfs/dbraw/zinc/12/15/15/396121515.db2.gz OERKKAULKQRDJC-KGLIPLIRSA-N 1 0 314.451 0.624 50 0 DCAARO CCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)COCc1ccco1)CC2 ZINC000071876947 396121711 /nfs/dbraw/zinc/12/17/11/396121711.db2.gz FPIFAHXMULPSLL-QWHCGFSZSA-N 1 0 320.393 0.916 50 0 DCAARO Cc1cc(C)n(C2CN(C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)C2)n1 ZINC000071880797 396122387 /nfs/dbraw/zinc/12/23/87/396122387.db2.gz WFRDOKNUESYDPS-BFYDXBDKSA-N 1 0 322.453 0.827 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCCNS(C)(=O)=O ZINC000071880426 396122705 /nfs/dbraw/zinc/12/27/05/396122705.db2.gz YYRULRZZUZDEDP-KBPBESRZSA-N 1 0 317.455 0.401 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)NC1CCOCC1 ZINC000071880481 396123020 /nfs/dbraw/zinc/12/30/20/396123020.db2.gz NTHZKDRBNCSZFR-HOTGVXAUSA-N 1 0 323.437 0.757 50 0 DCAARO C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC000069455421 396078693 /nfs/dbraw/zinc/07/86/93/396078693.db2.gz LGBHMLJHFQSZKF-UHFFFAOYSA-N 1 0 315.377 0.409 50 0 DCAARO CN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1=O ZINC000069492635 396080343 /nfs/dbraw/zinc/08/03/43/396080343.db2.gz PGXGBZCABLBILR-GJZGRUSLSA-N 1 0 303.406 0.754 50 0 DCAARO CC[N@H+](C)[C@@H](C(=O)N1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000069581290 396083547 /nfs/dbraw/zinc/08/35/47/396083547.db2.gz OPJFROGJMOZCGY-UONOGXRCSA-N 1 0 305.378 0.392 50 0 DCAARO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1cc(C)on1 ZINC000069592233 396083798 /nfs/dbraw/zinc/08/37/98/396083798.db2.gz OMQRWWYFBRDUAB-WDEREUQCSA-N 1 0 304.354 0.896 50 0 DCAARO CN1CCO[C@H](C[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000069626413 396085247 /nfs/dbraw/zinc/08/52/47/396085247.db2.gz YTGUSCDNUHBHQF-UKRRQHHQSA-N 1 0 319.405 0.547 50 0 DCAARO C[NH+]1CCC(NC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000076042980 396193049 /nfs/dbraw/zinc/19/30/49/396193049.db2.gz UPYGONAYKYVZNF-UHFFFAOYSA-N 1 0 314.183 0.961 50 0 DCAARO Cn1cc(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000078788836 396254761 /nfs/dbraw/zinc/25/47/61/396254761.db2.gz XYNWXBFIHHGDJA-HUUCEWRRSA-N 1 0 306.410 0.410 50 0 DCAARO CCOCC(=O)N1CCC2(CN(CC[NH+](C)C)C(=O)O2)CC1 ZINC000077503669 396224601 /nfs/dbraw/zinc/22/46/01/396224601.db2.gz ZZFDZMUCXPKFLV-UHFFFAOYSA-N 1 0 313.398 0.398 50 0 DCAARO CC(C)Cc1nc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)no1 ZINC000077504706 396225015 /nfs/dbraw/zinc/22/50/15/396225015.db2.gz FJJQVMQBUZBNKN-UHFFFAOYSA-N 1 0 307.354 0.442 50 0 DCAARO O=c1c2nccnc2ncn1C[C@@H](O)C[NH+]1CCCCCC1 ZINC000584887928 396632957 /nfs/dbraw/zinc/63/29/57/396632957.db2.gz WTJXMQVHLGKGSD-LBPRGKRZSA-N 1 0 303.366 0.423 50 0 DCAARO C[C@@H]1C[N@@H+](CCC(=O)NCc2cnc3cnccn23)C[C@H](C)O1 ZINC000584893936 396634800 /nfs/dbraw/zinc/63/48/00/396634800.db2.gz GGRLDVLBDWBCSZ-BETUJISGSA-N 1 0 317.393 0.845 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000606441283 397681356 /nfs/dbraw/zinc/68/13/56/397681356.db2.gz MMKZFBAOTNFHDB-VVEJJEBESA-N 1 0 323.418 0.428 50 0 DCAARO CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000025148913 415156631 /nfs/dbraw/zinc/15/66/31/415156631.db2.gz WKOMBUFVDGCJNB-LLVKDONJSA-N 1 0 313.423 0.665 50 0 DCAARO C[C@@H](Cn1cccn1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000044954795 415240765 /nfs/dbraw/zinc/24/07/65/415240765.db2.gz QNBJXQBGXSFXFL-KBPBESRZSA-N 1 0 309.414 0.418 50 0 DCAARO NC(=O)C1CC[NH+](CCCNC(=O)Nc2nccs2)CC1 ZINC000046428930 415259406 /nfs/dbraw/zinc/25/94/06/415259406.db2.gz UYFFJRZHAUUOBX-UHFFFAOYSA-N 1 0 311.411 0.852 50 0 DCAARO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1cn[nH]c1 ZINC000048249673 415286915 /nfs/dbraw/zinc/28/69/15/415286915.db2.gz FFHAZCPCIIWGIV-OAHLLOKOSA-N 1 0 315.377 0.950 50 0 DCAARO Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000050253576 415312382 /nfs/dbraw/zinc/31/23/82/415312382.db2.gz ADJGSMVBGJFTGX-GFCCVEGCSA-N 1 0 300.428 0.705 50 0 DCAARO CN(C)C(=O)CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534498 415359938 /nfs/dbraw/zinc/35/99/38/415359938.db2.gz BNKQCUYKCVDALE-UHFFFAOYSA-N 1 0 318.465 0.824 50 0 DCAARO CC[N@H+](C)CCNC(=O)CCn1nnc2ccccc2c1=O ZINC000066958587 415369627 /nfs/dbraw/zinc/36/96/27/415369627.db2.gz DNKQJHYZPWQZGO-UHFFFAOYSA-N 1 0 303.366 0.250 50 0 DCAARO CCc1nc(C)ccc1OCC(=O)N1C[C@H]([NH3+])C[C@H]1C(=O)NC ZINC000067676109 415378288 /nfs/dbraw/zinc/37/82/88/415378288.db2.gz KYYUUFRJBWABPX-YPMHNXCESA-N 1 0 320.393 0.005 50 0 DCAARO Cn1ccnc1CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000075131352 415439552 /nfs/dbraw/zinc/43/95/52/415439552.db2.gz ZXCLYOOJDPGGBH-CQSZACIVSA-N 1 0 305.426 0.406 50 0 DCAARO C[C@@H](CNS(=O)(=O)N1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000089929746 415526503 /nfs/dbraw/zinc/52/65/03/415526503.db2.gz YHEABSAPVWVBMY-OLZOCXBDSA-N 1 0 305.444 0.416 50 0 DCAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000095367213 415554025 /nfs/dbraw/zinc/55/40/25/415554025.db2.gz QFCXLGZHOBRPIQ-LLVKDONJSA-N 1 0 307.398 0.275 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)c1cnccn1 ZINC000095477066 415561810 /nfs/dbraw/zinc/56/18/10/415561810.db2.gz YWOUZXJYGSERJM-LBPRGKRZSA-N 1 0 305.382 0.197 50 0 DCAARO NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000106830193 415647607 /nfs/dbraw/zinc/64/76/07/415647607.db2.gz AVWGNDJOFLKKSK-HUUCEWRRSA-N 1 0 301.390 0.985 50 0 DCAARO CC(C)CS(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000096428372 415581505 /nfs/dbraw/zinc/58/15/05/415581505.db2.gz MQSMWCXAVMYATD-CQSZACIVSA-N 1 0 305.488 0.834 50 0 DCAARO O=C(NCCC[NH+]1CCCC1)c1ccnc(-n2cnnc2)c1 ZINC000097137866 415584905 /nfs/dbraw/zinc/58/49/05/415584905.db2.gz CBKLVMYOZCVVOW-UHFFFAOYSA-N 1 0 300.366 0.878 50 0 DCAARO CC[C@H]1CN(CC(=O)NCC(F)(F)F)CC[N@@H+]1C[C@H](C)O ZINC000106868203 415650101 /nfs/dbraw/zinc/65/01/01/415650101.db2.gz UYPNRTYUCDYNGY-QWRGUYRKSA-N 1 0 311.348 0.442 50 0 DCAARO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C[C@@H]1[NH+](C)C ZINC000107057181 415661483 /nfs/dbraw/zinc/66/14/83/415661483.db2.gz NMJIPBLNHQYBOE-VWYCJHECSA-N 1 0 321.343 0.806 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2ccncc2)CC[N@@H+]1C[C@H](C)O ZINC000107351171 415668227 /nfs/dbraw/zinc/66/82/27/415668227.db2.gz FCYLWKNIXXQWKE-ZFWWWQNUSA-N 1 0 306.410 0.797 50 0 DCAARO Cn1ccnc1CC[N@@H+]1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000299776364 416068356 /nfs/dbraw/zinc/06/83/56/416068356.db2.gz AOYSFJIKWKOYAJ-CHWSQXEVSA-N 1 0 302.382 0.300 50 0 DCAARO COc1ccc(-c2cc(CNC(=O)[C@@H]3C[NH2+]CCO3)no2)cc1 ZINC000299789686 416069941 /nfs/dbraw/zinc/06/99/41/416069941.db2.gz ACJPOPFUTNDWHZ-HNNXBMFYSA-N 1 0 317.345 0.955 50 0 DCAARO CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CC[NH2+]CC2 ZINC000299798960 416071430 /nfs/dbraw/zinc/07/14/30/416071430.db2.gz TZROWZXHNZIOKX-AWEZNQCLSA-N 1 0 314.393 0.946 50 0 DCAARO CN(C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[C@H]1CC[NH2+]C1 ZINC000179082740 416183682 /nfs/dbraw/zinc/18/36/82/416183682.db2.gz XUZOGUDISGGXOB-LBPRGKRZSA-N 1 0 313.361 0.405 50 0 DCAARO CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@@H]2C[C@@H](C)O)CC1 ZINC000192799733 416311201 /nfs/dbraw/zinc/31/12/01/416311201.db2.gz BAQBBVXWYDVSRE-SJORKVTESA-N 1 0 313.486 0.874 50 0 DCAARO [NH2+]=C1c2c(cc(=O)n3c2N[C@H]2C=CC=C[C@H]23)CN1Cc1ccco1 ZINC000229479880 416328040 /nfs/dbraw/zinc/32/80/40/416328040.db2.gz QGXREZRGNJJXHS-UONOGXRCSA-N 1 0 320.352 0.150 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000237920005 416329312 /nfs/dbraw/zinc/32/93/12/416329312.db2.gz CNTVLEFGFAMOKP-HUUCEWRRSA-N 1 0 307.369 0.759 50 0 DCAARO [NH3+][C@H]1CCN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000238066060 416329849 /nfs/dbraw/zinc/32/98/49/416329849.db2.gz CNTVLEFGFAMOKP-LSDHHAIUSA-N 1 0 307.369 0.759 50 0 DCAARO C[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(N2CCCC2=O)cc1 ZINC000299752786 229396743 /nfs/dbraw/zinc/39/67/43/229396743.db2.gz VKAHEDJHKIROQC-CQDKDKBSSA-N 1 0 317.389 0.713 50 0 DCAARO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000097033307 278117200 /nfs/dbraw/zinc/11/72/00/278117200.db2.gz OYJQTXBXHBTBMB-CHWSQXEVSA-N 1 0 302.440 0.991 50 0 DCAARO CC[C@@H](C(=O)N1CCCN(CC[NH+](C)C)CC1)N1CCCC1=O ZINC000072307120 280069823 /nfs/dbraw/zinc/06/98/23/280069823.db2.gz XHZNIOMGUMTSCE-HNNXBMFYSA-N 1 0 324.469 0.483 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000237524186 288236297 /nfs/dbraw/zinc/23/62/97/288236297.db2.gz ZDEMXHYNGAXJKF-XQQFMLRXSA-N 1 0 305.444 0.320 50 0 DCAARO Cc1nc(C[C@H]2CCCN(C(=O)C[NH2+]C[C@@H]3CCCO3)C2)no1 ZINC000237773471 293276827 /nfs/dbraw/zinc/27/68/27/293276827.db2.gz CZBJMVPXVSKLKG-KGLIPLIRSA-N 1 0 322.409 0.928 50 0 DCAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CNC(=O)N1 ZINC000089799944 303803443 /nfs/dbraw/zinc/80/34/43/303803443.db2.gz GBRWGPZFYYQMNL-GHMZBOCLSA-N 1 0 308.407 0.683 50 0 DCAARO C[C@@H]1CN(C(=O)CCc2nc(-c3ccccn3)no2)CC[NH2+]1 ZINC000188441629 333046244 /nfs/dbraw/zinc/04/62/44/333046244.db2.gz YHWBEBGYGKOKDD-LLVKDONJSA-N 1 0 301.350 0.885 50 0 DCAARO NC(=O)[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccco2)CC1 ZINC000534581876 334289423 /nfs/dbraw/zinc/28/94/23/334289423.db2.gz SPPHETSSTUHGQU-CQSZACIVSA-N 1 0 320.393 0.903 50 0 DCAARO COC(=O)c1cc(O)cc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC000534676305 334323411 /nfs/dbraw/zinc/32/34/11/334323411.db2.gz DHSDHYIUCMLJIY-WDAIWFPHSA-N 1 0 304.346 0.988 50 0 DCAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)CC2 ZINC000071877605 337366876 /nfs/dbraw/zinc/36/68/76/337366876.db2.gz HAZHRLVMZBKMDT-QWHCGFSZSA-N 1 0 304.398 0.564 50 0 DCAARO C[C@@H]1CN(C(=O)CCOc2ccc(C(N)=O)cc2)C[C@H](C)[NH2+]1 ZINC000153575969 534302682 /nfs/dbraw/zinc/30/26/82/534302682.db2.gz JYSZINAMSBJSRV-TXEJJXNPSA-N 1 0 305.378 0.763 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC(OCc2ccccc2)CC1 ZINC000299752699 534599510 /nfs/dbraw/zinc/59/95/10/534599510.db2.gz VBWONBPGBMYUSO-ZBFHGGJFSA-N 1 0 304.390 0.917 50 0 DCAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC000158934428 522045101 /nfs/dbraw/zinc/04/51/01/522045101.db2.gz YVXUEIXMUGLIPN-LBPRGKRZSA-N 1 0 300.366 0.734 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC[NH2+]1 ZINC000237564405 524536328 /nfs/dbraw/zinc/53/63/28/524536328.db2.gz YHSQQHHVIFKMAU-MGPLVRAMSA-N 1 0 316.361 0.175 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC[NH2+]1 ZINC000188462713 524860004 /nfs/dbraw/zinc/86/00/04/524860004.db2.gz WHMWATOISIUUKI-LLVKDONJSA-N 1 0 316.336 0.806 50 0 DCAARO COc1cc2c(nn1)CC[N@H+](CCC(=O)N1CCOCC1)C2 ZINC000083925441 545697472 /nfs/dbraw/zinc/69/74/72/545697472.db2.gz UWOFBDLZFGRAPC-UHFFFAOYSA-N 1 0 306.366 0.092 50 0 DCAARO CCCn1ncc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c1C ZINC000216007408 545938457 /nfs/dbraw/zinc/93/84/57/545938457.db2.gz YDRLBWNADIJCBW-HOTGVXAUSA-N 1 0 308.426 0.479 50 0 DCAARO C[C@H](C(=O)NCC[NH+]1CCC(O)CC1)n1cc(Cl)cn1 ZINC000222736673 545942554 /nfs/dbraw/zinc/94/25/54/545942554.db2.gz XRLILPOFFIMJTC-SNVBAGLBSA-N 1 0 300.790 0.670 50 0 DCAARO CN1C(=O)[C@H]2C[N@H+](CC(=O)NCC3CCCCC3)C[C@H]2C1=O ZINC000670449523 547095054 /nfs/dbraw/zinc/09/50/54/547095054.db2.gz UZBFFRTVMCNMRQ-BETUJISGSA-N 1 0 307.394 0.230 50 0 DCAARO C[C@@H](CCn1cncn1)[NH2+][C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000685940047 548745739 /nfs/dbraw/zinc/74/57/39/548745739.db2.gz DYWPPQUPUJWWRF-FPMFFAJLSA-N 1 0 306.370 0.226 50 0 DCAARO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cnn(C)c1N)C2 ZINC000685942755 548748076 /nfs/dbraw/zinc/74/80/76/548748076.db2.gz VEHAIEBQHGKGBC-FOCJUVANSA-N 1 0 321.425 0.212 50 0 DCAARO CC(C)(C)C[N@@H+]1CCN(Cc2cnc(N)nc2)C[C@H]1CCO ZINC000257372072 659270141 /nfs/dbraw/zinc/27/01/41/659270141.db2.gz LXCLPEYZRGLBMM-CQSZACIVSA-N 1 0 307.442 0.974 50 0 DCAARO C[C@@H]1C[N@H+](C2CCN(CCn3cc[nH]c3=O)CC2)C[C@H](C)O1 ZINC000252489606 661580375 /nfs/dbraw/zinc/58/03/75/661580375.db2.gz JURRWJIXNGUINN-OKILXGFUSA-N 1 0 308.426 0.750 50 0 DCAARO O=S(=O)(CC1CCCC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC000426674313 661689010 /nfs/dbraw/zinc/68/90/10/661689010.db2.gz QGEPLBSBLAEKRF-UHFFFAOYSA-N 1 0 302.440 0.961 50 0 DCAARO Cc1ccnc2nc(C(=O)N(C[C@@H]3CCC[NH2+]3)C3CC3)nn21 ZINC000186505093 666231825 /nfs/dbraw/zinc/23/18/25/666231825.db2.gz PEGPVLJGBAODTJ-NSHDSACASA-N 1 0 300.366 0.789 50 0 DCAARO C[C@H]([NH2+][C@H]1COCCN(C(=O)OC(C)(C)C)C1)C(=O)N(C)C ZINC000864086529 667213411 /nfs/dbraw/zinc/21/34/11/667213411.db2.gz HECGXYHWDPWWJG-NWDGAFQWSA-N 1 0 315.414 0.689 50 0 DCAARO C[N@H+](CCCO)C1CCN(CC(=O)NC2CCOCC2)CC1 ZINC000115548820 668141602 /nfs/dbraw/zinc/14/16/02/668141602.db2.gz FPALJQBFIJTANW-UHFFFAOYSA-N 1 0 313.442 0.060 50 0 DCAARO COCCOC[C@@H](O)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000043741117 669833355 /nfs/dbraw/zinc/83/33/55/669833355.db2.gz JRIGTVRHELNNNO-ILXRZTDVSA-N 1 0 322.405 0.291 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CCOCC3)CC2)C1 ZINC000952967532 685599190 /nfs/dbraw/zinc/59/91/90/685599190.db2.gz KTVJUWAZMQSFPF-CQSZACIVSA-N 1 0 323.437 0.603 50 0 DCAARO CCCOC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC000952972051 685600156 /nfs/dbraw/zinc/60/01/56/685600156.db2.gz URZWFOKVWPCQOX-KGLIPLIRSA-N 1 0 311.426 0.459 50 0 DCAARO CCCN(Cc1nccn1C)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952980844 685601232 /nfs/dbraw/zinc/60/12/32/685601232.db2.gz RPDIROKJHOHWBL-CYBMUJFWSA-N 1 0 321.425 0.356 50 0 DCAARO CN(Cc1cccnc1Cl)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952989330 685602975 /nfs/dbraw/zinc/60/29/75/685602975.db2.gz WCMZEAYGMXRDNK-LBPRGKRZSA-N 1 0 324.812 0.891 50 0 DCAARO CCC[NH+]1CCC(CC(=O)N2CC[N@H+](C)[C@H](C(=O)[O-])C2)CC1 ZINC000067672930 685069514 /nfs/dbraw/zinc/06/95/14/685069514.db2.gz LQQHGYQUBPTLLY-AWEZNQCLSA-N 1 0 311.426 0.726 50 0 DCAARO CC(C)[C@H]1C[N@@H+](C(CO)CO)C[C@@H]1NC(=O)Cc1ccccc1 ZINC000091526084 685104919 /nfs/dbraw/zinc/10/49/19/685104919.db2.gz MJASTGCBKPUROK-SJORKVTESA-N 1 0 320.433 0.655 50 0 DCAARO COc1cc(CN2C[C@H]([NH3+])[C@@H](C3CC3)C2)ccc1OCC(N)=O ZINC000091756921 685106417 /nfs/dbraw/zinc/10/64/17/685106417.db2.gz JSRMLQHDOIDWGV-KGLIPLIRSA-N 1 0 319.405 0.728 50 0 DCAARO Cc1ncc(C(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)c(=O)[nH]1 ZINC000096153863 685111134 /nfs/dbraw/zinc/11/11/34/685111134.db2.gz KIUZNRKXIQFWLV-ZDUSSCGKSA-N 1 0 320.393 0.818 50 0 DCAARO COCC[N@@H+]1CC[C@H](CNS(=O)(=O)N2CCCCCC2)C1 ZINC000150849161 685131540 /nfs/dbraw/zinc/13/15/40/685131540.db2.gz YXEFQISDGKTNCH-CQSZACIVSA-N 1 0 319.471 0.665 50 0 DCAARO COc1cc(O)cc(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)c1 ZINC001704308783 1179967403 /nfs/dbraw/zinc/96/74/03/1179967403.db2.gz JSXYITDGXYKLHY-AAEUAGOBSA-N 1 0 306.362 0.803 50 0 DCAARO CNc1nc(N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)ncc1F ZINC001704308854 1179968005 /nfs/dbraw/zinc/96/80/05/1179968005.db2.gz MXDGAFUFUDVCTG-IUODEOHRSA-N 1 0 309.389 0.940 50 0 DCAARO CNC(=O)c1ccnc(N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)c1 ZINC001704310528 1179969848 /nfs/dbraw/zinc/96/98/48/1179969848.db2.gz ZPYPELPWRUHXRF-RHSMWYFYSA-N 1 0 318.421 0.724 50 0 DCAARO COc1ccnc(C[N@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)c1 ZINC001704358754 1179984944 /nfs/dbraw/zinc/98/49/44/1179984944.db2.gz RXQHWCXRSVZYGY-MLGOLLRUSA-N 1 0 300.362 0.916 50 0 DCAARO Cc1cc(C)n(CCNC(=O)C[C@@H](C)[NH+]2CCOCC2)c(=O)n1 ZINC000240662510 747083051 /nfs/dbraw/zinc/08/30/51/747083051.db2.gz PLTGVTNIIIPPTL-CYBMUJFWSA-N 1 0 322.409 0.087 50 0 DCAARO C[C@@H](CCC(=O)NCc1csc(N)n1)[NH+]1CCN(C)CC1 ZINC000821751211 758181176 /nfs/dbraw/zinc/18/11/76/758181176.db2.gz UPZDDAWTBKPPCG-NSHDSACASA-N 1 0 311.455 0.758 50 0 DCAARO COC(=O)c1cn([C@H]2C[NH2+][C@H](C(=O)N3CCCCCC3)C2)nn1 ZINC000824220700 758763184 /nfs/dbraw/zinc/76/31/84/758763184.db2.gz CQHQURCFVRDVAL-NEPJUHHUSA-N 1 0 321.381 0.370 50 0 DCAARO Cc1cnccc1C(=O)NCC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000826829147 758846526 /nfs/dbraw/zinc/84/65/26/758846526.db2.gz LACAXPUXPVELGI-GFCCVEGCSA-N 1 0 304.394 0.706 50 0 DCAARO CN(CC(=O)N[C@@H](c1nccn1C)C1CC1)C1CC[NH2+]CC1 ZINC000828000873 758907313 /nfs/dbraw/zinc/90/73/13/758907313.db2.gz IHCRXQKFUDBKOO-OAHLLOKOSA-N 1 0 305.426 0.671 50 0 DCAARO O=C(NCC1CC[NH+](CCn2cnnc2)CC1)C1CCOCC1 ZINC000952872833 768935965 /nfs/dbraw/zinc/93/59/65/768935965.db2.gz DSIDQWBFLJASTN-UHFFFAOYSA-N 1 0 321.425 0.533 50 0 DCAARO O=C1CC[C@@H]([N@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)CCN1CC1CC1 ZINC001529144368 1014504540 /nfs/dbraw/zinc/50/45/40/1014504540.db2.gz ZLGIGWKNBOEKPW-BPKGMFCQSA-N 1 0 322.449 0.841 50 0 DCAARO Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCCC[NH3+])OCC(=O)N1C ZINC001529196568 1014518985 /nfs/dbraw/zinc/51/89/85/1014518985.db2.gz BVTKONFEIVLWQS-CVEARBPZSA-N 1 0 319.405 0.748 50 0 DCAARO Cc1cccnc1N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC001506419086 1017262695 /nfs/dbraw/zinc/26/26/95/1017262695.db2.gz XENDCINIOOUQGJ-UHFFFAOYSA-N 1 0 304.438 0.969 50 0 DCAARO Cn1ccnc1-c1ccc(N2CCOC[C@@H](C[NH+](C)C)C2)nn1 ZINC001506416068 1017264352 /nfs/dbraw/zinc/26/43/52/1017264352.db2.gz STWHCJSLLLCCRJ-ZDUSSCGKSA-N 1 0 316.409 0.892 50 0 DCAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@H](O)C2)CC1 ZINC000074657415 185006300 /nfs/dbraw/zinc/00/63/00/185006300.db2.gz PWHZDHRGZJIKPQ-GJZGRUSLSA-N 1 0 312.458 0.426 50 0 DCAARO O=C(NC1CCOCC1)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000082098241 192354973 /nfs/dbraw/zinc/35/49/73/192354973.db2.gz ZJKAWGPCMRBYGH-LBPRGKRZSA-N 1 0 307.398 0.719 50 0 DCAARO CN(CC(=O)NCc1cc2n(n1)CC[NH2+]C2)Cc1cccnc1 ZINC000082099531 192356646 /nfs/dbraw/zinc/35/66/46/192356646.db2.gz UELIFOSWUZQJTJ-UHFFFAOYSA-N 1 0 314.393 0.130 50 0 DCAARO COc1nccnc1O[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000225806607 201749379 /nfs/dbraw/zinc/74/93/79/201749379.db2.gz JGHVOQVRXWSVPS-OLZOCXBDSA-N 1 0 320.393 0.807 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(OC)cc(OC)c1 ZINC000067879187 190730021 /nfs/dbraw/zinc/73/00/21/190730021.db2.gz SFDWAXXAXQYNRH-RISCZKNCSA-N 1 0 321.377 0.382 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccnc(N)c1 ZINC000067966376 190740062 /nfs/dbraw/zinc/74/00/62/190740062.db2.gz GZPFXXOJUZBKQJ-RYUDHWBXSA-N 1 0 305.382 0.074 50 0 DCAARO Cn1c(C[NH2+]C[C@H]2Cc3ccccc3O2)cc(=O)n(C)c1=O ZINC000069153730 190802095 /nfs/dbraw/zinc/80/20/95/190802095.db2.gz QWWOHPBGFQZMBZ-CYBMUJFWSA-N 1 0 301.346 0.177 50 0 DCAARO CCc1nc(CN2CCC[C@@H]([NH2+]CCn3cncn3)C2)no1 ZINC000069895062 190834956 /nfs/dbraw/zinc/83/49/56/190834956.db2.gz LXMGXTYXCHMYJQ-GFCCVEGCSA-N 1 0 305.386 0.478 50 0 DCAARO CC(C)CCNC(=O)C1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000077267006 545679428 /nfs/dbraw/zinc/67/94/28/545679428.db2.gz ZLUHVOCGSBGECW-UHFFFAOYSA-N 1 0 305.444 0.149 50 0 DCAARO Cc1nc(CCNC(=O)[C@@H]2C[NH2+]CCO2)nc2c1CCCC2 ZINC000072148627 191054257 /nfs/dbraw/zinc/05/42/57/191054257.db2.gz JYAFPZDVRFWCLL-AWEZNQCLSA-N 1 0 304.394 0.311 50 0 DCAARO Cc1cnn(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000072253132 191087616 /nfs/dbraw/zinc/08/76/16/191087616.db2.gz REJSMEJVEMDTBC-HNNXBMFYSA-N 1 0 323.418 0.918 50 0 DCAARO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2ccc(F)cc2)CC1=O ZINC000072284070 191104408 /nfs/dbraw/zinc/10/44/08/191104408.db2.gz GRSQTVFVXIHNFD-AWEZNQCLSA-N 1 0 321.396 0.895 50 0 DCAARO C[C@@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)[C@@H]1C[NH3+] ZINC000237503072 186298534 /nfs/dbraw/zinc/29/85/34/186298534.db2.gz UAQYMYODPHYQKM-DGCLKSJQSA-N 1 0 302.440 0.930 50 0 DCAARO NC(=O)NCC(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072427851 191161346 /nfs/dbraw/zinc/16/13/46/191161346.db2.gz WUSOBJKLENWKJN-HNNXBMFYSA-N 1 0 318.421 0.868 50 0 DCAARO NC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072427852 191161842 /nfs/dbraw/zinc/16/18/42/191161842.db2.gz WUSOBJKLENWKJN-OAHLLOKOSA-N 1 0 318.421 0.868 50 0 DCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3ccnc(C)n3)CC[C@H]21 ZINC000072474237 191177343 /nfs/dbraw/zinc/17/73/43/191177343.db2.gz CWGGWEJEFBRMLA-UONOGXRCSA-N 1 0 303.410 0.822 50 0 DCAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000005250932 181221866 /nfs/dbraw/zinc/22/18/66/181221866.db2.gz DHERXMJODLLRHB-UHFFFAOYSA-N 1 0 307.350 0.812 50 0 DCAARO CCc1nc(CN2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)no1 ZINC000237050712 202136241 /nfs/dbraw/zinc/13/62/41/202136241.db2.gz FKKWOOYZBBIDNL-NEPJUHHUSA-N 1 0 307.398 0.404 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000237162937 202171951 /nfs/dbraw/zinc/17/19/51/202171951.db2.gz ABUJZEMCZRHTEM-LBPRGKRZSA-N 1 0 323.418 0.345 50 0 DCAARO COc1cc(C)c(CN(C)C(=O)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000237284236 202215729 /nfs/dbraw/zinc/21/57/29/202215729.db2.gz HYURMZRFUSEGSY-HNNXBMFYSA-N 1 0 308.378 0.959 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000089414168 192784281 /nfs/dbraw/zinc/78/42/81/192784281.db2.gz HQWXKJOKAPBEPG-AWEZNQCLSA-N 1 0 323.437 0.472 50 0 DCAARO Cc1nccn1Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000237631091 202310967 /nfs/dbraw/zinc/31/09/67/202310967.db2.gz OAQWPCIQYBLTSD-HOTGVXAUSA-N 1 0 314.389 0.579 50 0 DCAARO Cc1nccn1Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000237631065 202311052 /nfs/dbraw/zinc/31/10/52/202311052.db2.gz OAQWPCIQYBLTSD-CVEARBPZSA-N 1 0 314.389 0.579 50 0 DCAARO COc1cc(C(=O)OCCCCNC(N)=[NH2+])cc(OC)c1O ZINC000005998954 181304155 /nfs/dbraw/zinc/30/41/55/181304155.db2.gz WNGSUWLDMZFYNZ-UHFFFAOYSA-N 1 0 311.338 0.829 50 0 biogenic,in-vivo DCAARO CC[C@@H](C(=O)N1CC23CN(C)CC2(C1)C[NH+](C)C3)n1cccn1 ZINC000091364723 193046649 /nfs/dbraw/zinc/04/66/49/193046649.db2.gz NUKKVPGFPHLYIJ-OOHWJJMZSA-N 1 0 317.437 0.540 50 0 DCAARO Cc1cnc(C)nc1N[C@H]1C[N@H+](C(CO)CO)C[C@@H]1C(C)C ZINC000091518606 193068097 /nfs/dbraw/zinc/06/80/97/193068097.db2.gz FWZAGJXZOPCKHZ-CABCVRRESA-N 1 0 308.426 0.815 50 0 DCAARO Cc1nc(CCNC(=O)CC[C@@H]2CCC[N@@H+](C)C2)cc(=O)[nH]1 ZINC000091645766 193085041 /nfs/dbraw/zinc/08/50/41/193085041.db2.gz IVWODQZVJAUTJD-ZDUSSCGKSA-N 1 0 306.410 0.859 50 0 DCAARO COCn1ccnc1CN1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091808145 193110906 /nfs/dbraw/zinc/11/09/06/193110906.db2.gz KUBDWLKMJQRQKZ-INIZCTEOSA-N 1 0 321.425 0.273 50 0 DCAARO O=C(C[NH2+]CCN1CCOCC1)Nc1ccc2c(c1)OCCO2 ZINC000022794624 182335121 /nfs/dbraw/zinc/33/51/21/182335121.db2.gz WZWVRQGSCRKPFJ-UHFFFAOYSA-N 1 0 321.377 0.318 50 0 DCAARO CC[NH+](CC)CCNC(=O)c1c(O)nc2scc(C)n2c1=O ZINC000022852902 182338028 /nfs/dbraw/zinc/33/80/28/182338028.db2.gz GZRXVJKOFONAGA-UHFFFAOYSA-N 1 0 324.406 0.842 50 0 DCAARO C[NH+]1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000022933222 182342232 /nfs/dbraw/zinc/34/22/32/182342232.db2.gz SLYBWVBHIMYHQE-UHFFFAOYSA-N 1 0 315.414 0.493 50 0 DCAARO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCS(=O)(=O)CC1 ZINC000072159391 296262800 /nfs/dbraw/zinc/26/28/00/296262800.db2.gz LAHLYWOIOFBNQX-LBPRGKRZSA-N 1 0 308.403 0.634 50 0 DCAARO [NH3+]CCCCNS(=O)(=O)c1cncc(Br)c1 ZINC000044243135 183399469 /nfs/dbraw/zinc/39/94/69/183399469.db2.gz YRJZUMFIOSOJAG-UHFFFAOYSA-N 1 0 308.201 0.861 50 0 DCAARO COC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccco1 ZINC000110655118 194347334 /nfs/dbraw/zinc/34/73/34/194347334.db2.gz RAIYGHWSSBTNFB-CHWSQXEVSA-N 1 0 310.398 0.512 50 0 DCAARO Cc1cc(N(C)C)nc(NCCNC(=O)c2ncccn2)[nH+]1 ZINC000056906808 184021237 /nfs/dbraw/zinc/02/12/37/184021237.db2.gz HEOYBHOGXVSUHO-UHFFFAOYSA-N 1 0 301.354 0.483 50 0 DCAARO C[NH+](C)C1(CNC(=O)C[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000058380062 184110629 /nfs/dbraw/zinc/11/06/29/184110629.db2.gz XIIUCLMFIYBOBQ-GFCCVEGCSA-N 1 0 302.440 0.802 50 0 DCAARO O=C(C1CC1)N1CCC([NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000058344970 184106972 /nfs/dbraw/zinc/10/69/72/184106972.db2.gz WHWHSAPPBRWSLK-GFCCVEGCSA-N 1 0 303.410 0.915 50 0 DCAARO CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000059746168 184140548 /nfs/dbraw/zinc/14/05/48/184140548.db2.gz XHCATMRXSFDGDP-UHFFFAOYSA-N 1 0 303.403 0.996 50 0 DCAARO O=C(c1ccc(Cn2cnnn2)cc1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065462087 184348925 /nfs/dbraw/zinc/34/89/25/184348925.db2.gz BCJXUGJPCBFTSD-CABCVRRESA-N 1 0 312.377 0.688 50 0 DCAARO CC(=O)NCCNC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000065593614 184370321 /nfs/dbraw/zinc/37/03/21/184370321.db2.gz AQGDKMWVHOTTBA-CQSZACIVSA-N 1 0 319.409 0.068 50 0 DCAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)C1=NNC(=O)CC1 ZINC000065608180 184371982 /nfs/dbraw/zinc/37/19/82/184371982.db2.gz UVDIMHBEARGCSO-UHFFFAOYSA-N 1 0 302.378 0.843 50 0 DCAARO COC[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000253431829 285229289 /nfs/dbraw/zinc/22/92/89/285229289.db2.gz IGAPHSVUSYJYTE-CQSZACIVSA-N 1 0 312.458 0.737 50 0 DCAARO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269263531 256625146 /nfs/dbraw/zinc/62/51/46/256625146.db2.gz SKCALJRYXJQSLG-ZJIFWQFVSA-N 1 0 304.390 0.993 50 0 DCAARO C[C@H](CNS(=O)(=O)N1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000106072678 257272975 /nfs/dbraw/zinc/27/29/75/257272975.db2.gz XVIYCIQMWXWQAD-CHWSQXEVSA-N 1 0 305.444 0.273 50 0 DCAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000237386343 257238342 /nfs/dbraw/zinc/23/83/42/257238342.db2.gz QBGPADGGLPXMRQ-DGCLKSJQSA-N 1 0 305.378 0.893 50 0 DCAARO O=C(c1ccccc1)N1CCC([N@@H+]2C[C@@H]3NCCO[C@H]3C2)CC1 ZINC000426698480 257244205 /nfs/dbraw/zinc/24/42/05/257244205.db2.gz TVLATDKVSIXBOV-IRXDYDNUSA-N 1 0 315.417 0.964 50 0 DCAARO [NH3+]CCc1nnc(SC[C@@H](O)CO)n1-c1ccccc1F ZINC000426551082 257246770 /nfs/dbraw/zinc/24/67/70/257246770.db2.gz IOSUPVNPQXZOIK-VIFPVBQESA-N 1 0 312.370 0.353 50 0 DCAARO COc1ccc(C(=O)N(C)C[C@@H]2COCCO2)cc1OCC[NH3+] ZINC000426546182 257247060 /nfs/dbraw/zinc/24/70/60/257247060.db2.gz MTEWBIAFIIRDBO-CYBMUJFWSA-N 1 0 324.377 0.520 50 0 DCAARO COc1ncc(C(=O)NCC[C@@H](C)[NH+]2CCN(C)CC2)cn1 ZINC000426477704 257249587 /nfs/dbraw/zinc/24/95/87/257249587.db2.gz JBJZQVRLRAAEBL-GFCCVEGCSA-N 1 0 307.398 0.241 50 0 DCAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCC1CCOCC1 ZINC000426395942 257252763 /nfs/dbraw/zinc/25/27/63/257252763.db2.gz KUDRORMOIOKEHN-CQSZACIVSA-N 1 0 306.410 0.893 50 0 DCAARO COc1cccc(C(=O)N2CCN(C)C(=O)C2)c1OCCC[NH3+] ZINC000299779578 533400183 /nfs/dbraw/zinc/40/01/83/533400183.db2.gz GEZWULKQTLVXJR-UHFFFAOYSA-N 1 0 321.377 0.337 50 0 DCAARO COc1cc(C(=O)N[C@@H]2CCOC2)cc(OC)c1OCCC[NH3+] ZINC000299773596 533549193 /nfs/dbraw/zinc/54/91/93/533549193.db2.gz GGEKLPXOQLRHTO-GFCCVEGCSA-N 1 0 324.377 0.950 50 0 DCAARO CC(C)(CO)CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000012432542 395687649 /nfs/dbraw/zinc/68/76/49/395687649.db2.gz VYUSYKFDTGTFPC-CYBMUJFWSA-N 1 0 311.426 0.254 50 0 DCAARO O=C(C[C@@H]1[NH2+]CCC[C@H]1O)Cn1cnc2ccccc2c1=O ZINC000001571580 395680943 /nfs/dbraw/zinc/68/09/43/395680943.db2.gz FWVHWDSCPKXMDB-LSDHHAIUSA-N 1 0 301.346 0.469 50 0 biogenic,in-vitro DCAARO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1C[C@@H](O)[C@@H](O)C2 ZINC000001530731 395681025 /nfs/dbraw/zinc/68/10/25/395681025.db2.gz VWPOSFSPZNDTMJ-AEGPPILISA-N 1 0 309.406 0.635 50 0 in-vitro DCAARO CCC[NH+]1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000025572459 395693606 /nfs/dbraw/zinc/69/36/06/395693606.db2.gz NLDHHYILCFBXSJ-UHFFFAOYSA-N 1 0 314.389 0.951 50 0 DCAARO OCC[NH+](CCO)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000002686818 395681765 /nfs/dbraw/zinc/68/17/65/395681765.db2.gz LTBRAHAUVQHJAX-CQSZACIVSA-N 1 0 303.786 0.504 50 0 DCAARO CC[NH+](CC)CCNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000005952389 395682880 /nfs/dbraw/zinc/68/28/80/395682880.db2.gz LDOAEAWSVHJRDE-UHFFFAOYSA-N 1 0 307.394 0.883 50 0 DCAARO Cc1cc([C@H]2CCC[N@H+](CCCNS(C)(=O)=O)C2)[nH]n1 ZINC000089599039 395713365 /nfs/dbraw/zinc/71/33/65/395713365.db2.gz QSMFJUIECIFONH-LBPRGKRZSA-N 1 0 300.428 0.837 50 0 DCAARO CC(C)(CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+]1CCc2ccccc2C1 ZINC000089761729 395714760 /nfs/dbraw/zinc/71/47/60/395714760.db2.gz DRIXLYMXSMELQC-AWEZNQCLSA-N 1 0 316.405 0.621 50 0 DCAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CNC(=O)N1 ZINC000089834908 395715703 /nfs/dbraw/zinc/71/57/03/395715703.db2.gz YHKOGYPOSZMBBG-HNNXBMFYSA-N 1 0 316.405 0.696 50 0 DCAARO COc1cc(F)c(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1OC ZINC000036297201 395722933 /nfs/dbraw/zinc/72/29/33/395722933.db2.gz FFGJOYSMVQZTIL-VIFPVBQESA-N 1 0 318.370 0.955 50 0 DCAARO CC(C)N1C(=O)N[C@@]2(CC[N@H+](CCc3cnn(C)c3)C2)C1=O ZINC000084597379 395698353 /nfs/dbraw/zinc/69/83/53/395698353.db2.gz HILOXQOBMBCUBI-OAHLLOKOSA-N 1 0 305.382 0.367 50 0 DCAARO CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000037811544 395729050 /nfs/dbraw/zinc/72/90/50/395729050.db2.gz MZIMITCXMMJJKL-STQMWFEESA-N 1 0 311.407 0.227 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000095402444 395740534 /nfs/dbraw/zinc/74/05/34/395740534.db2.gz CABSESQOTSRDKF-IUODEOHRSA-N 1 0 321.425 0.753 50 0 DCAARO [NH3+][C@@H](CO)C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 ZINC000096137542 395745582 /nfs/dbraw/zinc/74/55/82/395745582.db2.gz FNTRAKDISKCBAV-NSHDSACASA-N 1 0 304.325 0.420 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000096118130 395745677 /nfs/dbraw/zinc/74/56/77/395745677.db2.gz GERXNURKBQFOMK-GJZGRUSLSA-N 1 0 314.393 0.863 50 0 DCAARO OCC[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H](O)C1 ZINC000097468688 395758160 /nfs/dbraw/zinc/75/81/60/395758160.db2.gz ODVHWNIUYRAJQR-KRWDZBQOSA-N 1 0 316.405 0.343 50 0 DCAARO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)C(=O)N1CCOCC1)CC2 ZINC000097199366 395755702 /nfs/dbraw/zinc/75/57/02/395755702.db2.gz SAPIWCMTPQYRGY-CHWSQXEVSA-N 1 0 321.425 0.553 50 0 DCAARO COCC[N@@H+]1CCC2(CC[NH+](CC(=O)[O-])CC2)[C@H](CO)C1 ZINC000097301227 395757121 /nfs/dbraw/zinc/75/71/21/395757121.db2.gz WFYBMSDRPNVCGX-ZDUSSCGKSA-N 1 0 300.399 0.114 50 0 DCAARO Cc1nc[nH]c1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H](O)C1 ZINC000097514426 395758796 /nfs/dbraw/zinc/75/87/96/395758796.db2.gz PLOVOXUYFYQMOS-ZDUSSCGKSA-N 1 0 301.350 0.436 50 0 DCAARO O=C(c1cccs1)N1CCC(N2CC[NH2+]C[C@H](O)C2)CC1 ZINC000097515204 395758861 /nfs/dbraw/zinc/75/88/61/395758861.db2.gz GSBXLZXLWOUSLU-ZDUSSCGKSA-N 1 0 309.435 0.619 50 0 DCAARO O=C(Cc1ccccc1)N1CC[N@@H+](C2CCOCC2)C[C@@H](O)C1 ZINC000097759317 395760460 /nfs/dbraw/zinc/76/04/60/395760460.db2.gz UMMMINZAGFKEBM-QGZVFWFLSA-N 1 0 318.417 0.913 50 0 DCAARO C[NH+](C)CCNC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC000049545963 395832610 /nfs/dbraw/zinc/83/26/10/395832610.db2.gz NZUCIUHRVZTDRO-UHFFFAOYSA-N 1 0 305.378 0.821 50 0 DCAARO COCCOc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000050241773 395838120 /nfs/dbraw/zinc/83/81/20/395838120.db2.gz BPCUHHBDVBFGDR-NSHDSACASA-N 1 0 300.380 0.434 50 0 DCAARO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(Cc2ccco2)CC1 ZINC000051204682 395848254 /nfs/dbraw/zinc/84/82/54/395848254.db2.gz LDLKGGYPUZUMJR-AWEZNQCLSA-N 1 0 307.394 0.381 50 0 DCAARO Cc1cc(C[C@H](C)NC(=O)CN(C)C2CC[NH+](C)CC2)[nH]n1 ZINC000220582160 395848762 /nfs/dbraw/zinc/84/87/62/395848762.db2.gz BXPZDCFMECBXKU-LBPRGKRZSA-N 1 0 307.442 0.791 50 0 DCAARO COc1ccccc1OCC(=O)NC[C@@H]1COCC[N@H+](C)C1 ZINC000222966374 395853476 /nfs/dbraw/zinc/85/34/76/395853476.db2.gz HRQFHAUIPZCYDD-ZDUSSCGKSA-N 1 0 308.378 0.768 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C[C@H]2C)ccc1F ZINC000125159323 395902204 /nfs/dbraw/zinc/90/22/04/395902204.db2.gz ZDHDNAXIOHAVBK-SECBINFHSA-N 1 0 315.370 0.168 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000126186283 395911080 /nfs/dbraw/zinc/91/10/80/395911080.db2.gz LRUQKTBKQJMLMM-LBPRGKRZSA-N 1 0 301.346 0.924 50 0 DCAARO CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NS(C)(=O)=O ZINC000245289731 395927193 /nfs/dbraw/zinc/92/71/93/395927193.db2.gz DSRPMQPXLJPSQS-QJPTWQEYSA-N 1 0 302.440 0.861 50 0 DCAARO C[NH+](C)CCNC(=O)Cn1cc(COc2ccccc2F)nn1 ZINC000227167938 395868057 /nfs/dbraw/zinc/86/80/57/395868057.db2.gz FNMDNAXHUKAZBR-UHFFFAOYSA-N 1 0 321.356 0.674 50 0 DCAARO C[C@H](Cc1ccccc1)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000230284165 395880158 /nfs/dbraw/zinc/88/01/58/395880158.db2.gz ZDMPQBQIPVZAIM-HIFRSBDPSA-N 1 0 301.390 0.508 50 0 DCAARO CC[N@@H+]1CCN(C(=O)[C@H]2CCc3nn(C)c(=O)n3C2)CC1(C)C ZINC000230511434 395881325 /nfs/dbraw/zinc/88/13/25/395881325.db2.gz QOYYZKQBCDHEFW-LBPRGKRZSA-N 1 0 321.425 0.087 50 0 DCAARO COc1ccc(S(=O)(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1 ZINC000137524587 395950720 /nfs/dbraw/zinc/95/07/20/395950720.db2.gz IMMLVCSHAFEAAS-NSHDSACASA-N 1 0 312.391 0.447 50 0 DCAARO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000248119914 395982485 /nfs/dbraw/zinc/98/24/85/395982485.db2.gz JUOBMIYVMTXKKS-HZSPNIEDSA-N 1 0 311.451 0.993 50 0 DCAARO O=C(N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1ccc(CO)o1 ZINC000252527464 396022655 /nfs/dbraw/zinc/02/26/55/396022655.db2.gz CPROCRSYIAROTL-HUBLWGQQSA-N 1 0 308.378 0.641 50 0 DCAARO CCOc1ccc2[nH]c(=O)c(C[N@H+](C)C[C@H](O)CO)cc2c1 ZINC000067588304 396028508 /nfs/dbraw/zinc/02/85/08/396028508.db2.gz RHFIJPWADUBRGD-ZDUSSCGKSA-N 1 0 306.362 0.712 50 0 DCAARO O=C(c1cn(C[C@@H]2CCC[NH2+]C2)nn1)N1CCc2n[nH]cc2C1 ZINC000067805710 396034231 /nfs/dbraw/zinc/03/42/31/396034231.db2.gz UZBKAHTZSPRKKX-LLVKDONJSA-N 1 0 315.381 0.199 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccn(CC)n1 ZINC000067847021 396035984 /nfs/dbraw/zinc/03/59/84/396035984.db2.gz LJCQJSUEAYJLDL-AAEUAGOBSA-N 1 0 307.398 0.313 50 0 DCAARO CN1CC[N@@H+]2C[C@@H](NC(=O)CCc3cc(Cl)no3)C[C@H]2C1 ZINC000067871369 396037025 /nfs/dbraw/zinc/03/70/25/396037025.db2.gz XETKVGQGVQFDMW-QWRGUYRKSA-N 1 0 312.801 0.765 50 0 DCAARO C[N@H+](CCc1ccccc1)Cc1cc(C(=O)NCC(N)=O)no1 ZINC000067881104 396037925 /nfs/dbraw/zinc/03/79/25/396037925.db2.gz UVWJTCUZFNLEIJ-UHFFFAOYSA-N 1 0 316.361 0.564 50 0 DCAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)C1CCOCC1 ZINC000257365495 396046601 /nfs/dbraw/zinc/04/66/01/396046601.db2.gz CQXNRFADMRRSJN-OCCSQVGLSA-N 1 0 317.455 0.511 50 0 DCAARO CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157925059 396064403 /nfs/dbraw/zinc/06/44/03/396064403.db2.gz NVNFWRXKMCCJAV-KBPBESRZSA-N 1 0 310.419 0.592 50 0 DCAARO C[C@@H]1C[N@@H+](C[C@H](O)Cn2nnnc2-c2ccccn2)C[C@H](C)O1 ZINC000066738332 396013859 /nfs/dbraw/zinc/01/38/59/396013859.db2.gz TUPMEEGWQYWOAO-XQQFMLRXSA-N 1 0 318.381 0.205 50 0 DCAARO C[N@@H+]1C[C@@H](NC(=O)CN2CCc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000252488270 396020605 /nfs/dbraw/zinc/02/06/05/396020605.db2.gz IOKDMGMVKONTGB-GJZGRUSLSA-N 1 0 317.389 0.318 50 0 DCAARO C[N@H+](CC(=O)NCc1ccccc1F)C1(CO)CCOCC1 ZINC000252491190 396020790 /nfs/dbraw/zinc/02/07/90/396020790.db2.gz LIXYJCSUVPXCJF-UHFFFAOYSA-N 1 0 310.369 0.915 50 0 DCAARO CCCCn1nnnc1C[NH2+]C[C@@H]1CCc2nnc(CC)n2C1 ZINC000069739214 396088583 /nfs/dbraw/zinc/08/85/83/396088583.db2.gz ZLMBYHYTBVVUPN-LBPRGKRZSA-N 1 0 318.429 0.979 50 0 DCAARO COc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000069844284 396091940 /nfs/dbraw/zinc/09/19/40/396091940.db2.gz OESQHUFATLYIBF-JSGCOSHPSA-N 1 0 319.405 0.897 50 0 DCAARO COc1cc(C)nc(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)n1 ZINC000069844265 396091974 /nfs/dbraw/zinc/09/19/74/396091974.db2.gz IOGOAQYQBULRDL-UHFFFAOYSA-N 1 0 321.425 0.782 50 0 DCAARO COCC(=O)NC[C@H]1CCN(Cc2ccncc2)C[C@H]1[NH+](C)C ZINC000169788889 396093609 /nfs/dbraw/zinc/09/36/09/396093609.db2.gz COMSWTBDSAXTSC-HZPDHXFCSA-N 1 0 320.437 0.596 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)CC2 ZINC000069876991 396093692 /nfs/dbraw/zinc/09/36/92/396093692.db2.gz KSRDITGTURYTSC-LLVKDONJSA-N 1 0 315.443 0.026 50 0 DCAARO CCCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000069895844 396093734 /nfs/dbraw/zinc/09/37/34/396093734.db2.gz FURYQHCOYMGQRR-AWEZNQCLSA-N 1 0 303.472 0.828 50 0 DCAARO Cn1cc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000069931885 396095354 /nfs/dbraw/zinc/09/53/54/396095354.db2.gz ZABRKGGIABKSCC-CQSZACIVSA-N 1 0 321.425 0.674 50 0 DCAARO O=C(NCCCN1Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000170640319 396095857 /nfs/dbraw/zinc/09/58/57/396095857.db2.gz XOCNADWGEBPQLN-HNNXBMFYSA-N 1 0 322.430 0.943 50 0 DCAARO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000071144813 396110010 /nfs/dbraw/zinc/11/00/10/396110010.db2.gz GHXHAXBJOGYPFM-NSHDSACASA-N 1 0 311.407 0.276 50 0 DCAARO Cn1ccc(C(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)cc1=O ZINC000071864319 396119312 /nfs/dbraw/zinc/11/93/12/396119312.db2.gz FUCPYXASKFCIDA-CQSZACIVSA-N 1 0 321.421 0.550 50 0 DCAARO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(c2ccccn2)CC1 ZINC000071874804 396120194 /nfs/dbraw/zinc/12/01/94/396120194.db2.gz JULSMHNYYGPZJM-AWEZNQCLSA-N 1 0 304.394 0.187 50 0 DCAARO Cc1cc(NC(=O)C[NH2+]C[C@H]2CCCN2c2cccnn2)on1 ZINC000072276747 396129187 /nfs/dbraw/zinc/12/91/87/396129187.db2.gz UWAUFPHPRDRBGV-GFCCVEGCSA-N 1 0 316.365 0.970 50 0 DCAARO C[C@]1([C@H]2CCC[N@H+](CC(=O)NCC3CCC3)C2)NC(=O)NC1=O ZINC000072300683 396130637 /nfs/dbraw/zinc/13/06/37/396130637.db2.gz MOFZTVBUWLTVPQ-BLLLJJGKSA-N 1 0 322.409 0.213 50 0 DCAARO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262464665 396143833 /nfs/dbraw/zinc/14/38/33/396143833.db2.gz GDOGOZDKIGTFJV-NKWVEPMBSA-N 1 0 309.313 0.843 50 0 DCAARO CC(C)NC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000069348837 396075992 /nfs/dbraw/zinc/07/59/92/396075992.db2.gz TVWWOBRNOJSEKY-ZDUSSCGKSA-N 1 0 311.426 0.470 50 0 DCAARO Cc1cc(N(C)C)nc(N2CCO[C@H](Cn3cccn3)C2)[nH+]1 ZINC000069454001 396078979 /nfs/dbraw/zinc/07/89/79/396078979.db2.gz XNSWXKYWTJNZED-ZDUSSCGKSA-N 1 0 302.382 0.953 50 0 DCAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CC(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000069536374 396082994 /nfs/dbraw/zinc/08/29/94/396082994.db2.gz QZDZTZPJYMTXFM-MGPQQGTHSA-N 1 0 321.425 0.516 50 0 DCAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000069625285 396084481 /nfs/dbraw/zinc/08/44/81/396084481.db2.gz DYKGYJZWIHBTBU-KKUMJFAQSA-N 1 0 310.398 0.299 50 0 DCAARO CCCCS(=O)(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000069632263 396085397 /nfs/dbraw/zinc/08/53/97/396085397.db2.gz QXEYULKJBALPEZ-UHFFFAOYSA-N 1 0 319.471 0.602 50 0 DCAARO CN(Cc1nccs1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074524830 396168635 /nfs/dbraw/zinc/16/86/35/396168635.db2.gz JNAZLTFYAWOJOT-LLVKDONJSA-N 1 0 310.423 0.512 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)o1 ZINC000076050709 396194219 /nfs/dbraw/zinc/19/42/19/396194219.db2.gz QCIIPCSPMUPLRS-UWVGGRQHSA-N 1 0 315.395 0.210 50 0 DCAARO Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)C[NH3+])CC1 ZINC000077420316 396221875 /nfs/dbraw/zinc/22/18/75/396221875.db2.gz JHEPXPULQPWARA-UHFFFAOYSA-N 1 0 306.414 0.076 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2C)CC1 ZINC000084124219 396318182 /nfs/dbraw/zinc/31/81/82/396318182.db2.gz JPUCDDWRABFHSB-BLLLJJGKSA-N 1 0 306.410 0.967 50 0 DCAARO O=C(C[C@@H]1C[NH2+]CCO1)NCCc1cnn(-c2ccccc2)c1 ZINC000269211258 396395276 /nfs/dbraw/zinc/39/52/76/396395276.db2.gz PWXFHLKDXPJWRE-MRXNPFEDSA-N 1 0 314.389 0.910 50 0 DCAARO COCC[N@@H+]1CC[C@H](C(=O)NC2(C(N)=O)CCCCCC2)C1 ZINC000584892189 396633934 /nfs/dbraw/zinc/63/39/34/396633934.db2.gz VIWVBMSFWCQHFM-ZDUSSCGKSA-N 1 0 311.426 0.649 50 0 DCAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2cccnc2-n2cncn2)C1 ZINC000584895592 396634648 /nfs/dbraw/zinc/63/46/48/396634648.db2.gz PYNRJBLOMSGQOO-ZDUSSCGKSA-N 1 0 316.365 0.983 50 0 DCAARO COCCN1C[C@H](CNC(=O)C[NH+]2CCCCCC2)CC1=O ZINC000584896294 396634719 /nfs/dbraw/zinc/63/47/19/396634719.db2.gz NMNZZJGMCJFVPX-AWEZNQCLSA-N 1 0 311.426 0.474 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)NCc2ccc3[nH]cnc3c2)CC1 ZINC000584893797 396635052 /nfs/dbraw/zinc/63/50/52/396635052.db2.gz KPPJXGGKCUFOOJ-UHFFFAOYSA-N 1 0 301.394 0.817 50 0 DCAARO Cc1c[nH+]ccc1N1CCN(C(=O)CCCn2cnnn2)CC1 ZINC000584899603 396636594 /nfs/dbraw/zinc/63/65/94/396636594.db2.gz KLIZAHZIRUIPPV-UHFFFAOYSA-N 1 0 315.381 0.506 50 0 DCAARO Cc1c(C(=O)N=c2sccn2C)nnn1C1CC[NH2+]CC1 ZINC000606441486 397681432 /nfs/dbraw/zinc/68/14/32/397681432.db2.gz BEKVKEQOQYGAIM-UHFFFAOYSA-N 1 0 306.395 0.652 50 0 DCAARO CC[NH+]1CCN(CC(=O)NC[C@@H](O)Cc2ccccc2)CC1 ZINC000304935932 158987047 /nfs/dbraw/zinc/98/70/47/158987047.db2.gz HSJNCOGBCBFVDU-INIZCTEOSA-N 1 0 305.422 0.344 50 0 DCAARO CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000025148916 415158192 /nfs/dbraw/zinc/15/81/92/415158192.db2.gz WKOMBUFVDGCJNB-NSHDSACASA-N 1 0 313.423 0.665 50 0 DCAARO CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000044966438 415238835 /nfs/dbraw/zinc/23/88/35/415238835.db2.gz KRNIHDJKKHRWPM-LBPRGKRZSA-N 1 0 317.455 0.689 50 0 DCAARO O=C(NCc1ccccc1Cn1cccn1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000269208126 415248065 /nfs/dbraw/zinc/24/80/65/415248065.db2.gz NOYSKTZBTDMORG-GJZGRUSLSA-N 1 0 300.362 0.270 50 0 DCAARO CN(CC(N)=O)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000046066335 415254550 /nfs/dbraw/zinc/25/45/50/415254550.db2.gz BJKVYIPIYUZCJW-UHFFFAOYSA-N 1 0 318.421 0.184 50 0 DCAARO CC[N@@H+]1CCC[C@](O)(CN2CCN(c3cnccn3)CC2)C1 ZINC000046087863 415255829 /nfs/dbraw/zinc/25/58/29/415255829.db2.gz QWYCQIMYMCWPTJ-MRXNPFEDSA-N 1 0 305.426 0.445 50 0 DCAARO CS(=O)(=O)N1CCC[C@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000048236244 415286783 /nfs/dbraw/zinc/28/67/83/415286783.db2.gz GHIYVXWOIDTGMW-ZDUSSCGKSA-N 1 0 317.455 0.403 50 0 DCAARO CCn1c(CC2CC[NH+](C[C@H]3CCOC3)CC2)nn(C)c1=O ZINC000067788718 415384266 /nfs/dbraw/zinc/38/42/66/415384266.db2.gz PTPGWTCEMTWUEE-CQSZACIVSA-N 1 0 308.426 0.893 50 0 DCAARO CC(C)C[N@@H+]1CCCN(C(=O)CCCS(N)(=O)=O)CC1 ZINC000067688467 415386440 /nfs/dbraw/zinc/38/64/40/415386440.db2.gz CUSPEWDRXKINEG-UHFFFAOYSA-N 1 0 305.444 0.245 50 0 DCAARO Nc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3F)C2)n1 ZINC000067851355 415390861 /nfs/dbraw/zinc/39/08/61/415390861.db2.gz YKJRRMNBWMALOE-JTQLQIEISA-N 1 0 318.356 0.778 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2nccs2)CC[N@@H+]1C[C@@H](C)O ZINC000084736458 415500887 /nfs/dbraw/zinc/50/08/87/415500887.db2.gz QSUUWYJILMVZSC-VXGBXAGGSA-N 1 0 312.439 0.859 50 0 DCAARO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000075132986 415437677 /nfs/dbraw/zinc/43/76/77/415437677.db2.gz YNYBKVLBNFJRLR-MGPQQGTHSA-N 1 0 307.398 0.426 50 0 DCAARO O=C(C[N@@H+]1CCCC[C@H]1CCn1cccn1)N1CCOCC1 ZINC000077337238 415462238 /nfs/dbraw/zinc/46/22/38/415462238.db2.gz WBISYWOQPQNTIC-HNNXBMFYSA-N 1 0 306.410 0.987 50 0 DCAARO COCCN1CCC[C@@]2(CC[N@H+](CCc3cnn(C)c3)C2)C1=O ZINC000091410545 415533714 /nfs/dbraw/zinc/53/37/14/415533714.db2.gz QVTMPCLYGRVUTN-KRWDZBQOSA-N 1 0 320.437 0.924 50 0 DCAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCc2nc(COC)no2)C1 ZINC000095375565 415558593 /nfs/dbraw/zinc/55/85/93/415558593.db2.gz DCGNPZCDIJGROO-HNNXBMFYSA-N 1 0 310.398 0.997 50 0 DCAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCCc2nc(N)cc(=O)[nH]2)C1 ZINC000095383919 415558713 /nfs/dbraw/zinc/55/87/13/415558713.db2.gz AWFYXJZYODGEDU-OAHLLOKOSA-N 1 0 307.398 0.133 50 0 DCAARO O=C(CCC[NH+]1CCCCC1)NCCc1nc(O)cc(=O)[nH]1 ZINC000095382193 415559105 /nfs/dbraw/zinc/55/91/05/415559105.db2.gz XXQSWHMHWMKAES-UHFFFAOYSA-N 1 0 308.382 0.400 50 0 DCAARO CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000097033604 415582874 /nfs/dbraw/zinc/58/28/74/415582874.db2.gz APVBGNQMMZHXDQ-LLVKDONJSA-N 1 0 301.350 0.979 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)CC[N@@H+]1C[C@H](C)O ZINC000106869324 415653538 /nfs/dbraw/zinc/65/35/38/415653538.db2.gz LLNNGOPJLMHJCG-FZMZJTMJSA-N 1 0 323.441 0.742 50 0 DCAARO C[N@@H+]1CCN(Cc2nnc(C3CC3)o2)C[C@@]12CCNC(=O)CC2 ZINC000107646473 415672005 /nfs/dbraw/zinc/67/20/05/415672005.db2.gz IFFRCYUDZGMJMH-MRXNPFEDSA-N 1 0 319.409 0.733 50 0 DCAARO Cn1c(=O)cccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120682644 415780482 /nfs/dbraw/zinc/78/04/82/415780482.db2.gz SOMMWEBFNQESIV-CQSZACIVSA-N 1 0 319.405 0.570 50 0 DCAARO CNC(=O)CC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425985362 287321152 /nfs/dbraw/zinc/32/11/52/287321152.db2.gz PXTKLOCBQPVCPA-KRWDZBQOSA-N 1 0 305.422 0.691 50 0 DCAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[NH2+]C[C@H]2C)[nH]n1 ZINC000125340213 415865056 /nfs/dbraw/zinc/86/50/56/415865056.db2.gz RTVINOYBOVZDNF-SECBINFHSA-N 1 0 302.382 0.861 50 0 DCAARO COc1cccc(N2CCN(C(=O)[C@H]3C=CC[NH2+]3)CC2=O)c1 ZINC000299772427 416065195 /nfs/dbraw/zinc/06/51/95/416065195.db2.gz XHUXVPJBRFZEJX-CQSZACIVSA-N 1 0 301.346 0.398 50 0 DCAARO Cc1nonc1CC(=O)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000299772943 416066540 /nfs/dbraw/zinc/06/65/40/416066540.db2.gz CYVJGSZWGGYQLA-CYBMUJFWSA-N 1 0 308.382 0.634 50 0 DCAARO Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(OCCC[NH3+])c1 ZINC000299795969 416070517 /nfs/dbraw/zinc/07/05/17/416070517.db2.gz NSVHBMBOGBXRPR-CYBMUJFWSA-N 1 0 308.378 0.868 50 0 DCAARO CN(C)c1ncc(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)cn1 ZINC000299800271 416070632 /nfs/dbraw/zinc/07/06/32/416070632.db2.gz UWSPMJLUAGWUQM-KBPBESRZSA-N 1 0 315.381 0.480 50 0 DCAARO CCn1nc(C)c(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000299802101 416071121 /nfs/dbraw/zinc/07/11/21/416071121.db2.gz XHKYNZYOJZIAGY-CYBMUJFWSA-N 1 0 321.425 0.447 50 0 DCAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(Oc2ncccn2)CC1 ZINC000215671038 416327257 /nfs/dbraw/zinc/32/72/57/416327257.db2.gz WUNMIYJAAXJVIJ-CYBMUJFWSA-N 1 0 306.366 0.225 50 0 DCAARO COc1cccc(CNC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)c1 ZINC000225502613 416327751 /nfs/dbraw/zinc/32/77/51/416327751.db2.gz AFVUBKBRORSHBT-OLZOCXBDSA-N 1 0 310.394 0.375 50 0 DCAARO C[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H]1C[NH3+] ZINC000237653438 416328479 /nfs/dbraw/zinc/32/84/79/416328479.db2.gz OXXHOCLYEQHWPO-ZANVPECISA-N 1 0 316.361 0.416 50 0 DCAARO CC[N@@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](C)C1 ZINC000240321590 416329981 /nfs/dbraw/zinc/32/99/81/416329981.db2.gz FAOHNNQXIIHULG-LBPRGKRZSA-N 1 0 315.377 0.344 50 0 DCAARO CCOCC[N@@H+]1CCN(CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC000241719853 416330337 /nfs/dbraw/zinc/33/03/37/416330337.db2.gz QQFJLWGKNKUBNW-CQSZACIVSA-N 1 0 321.487 0.311 50 0 DCAARO Cc1c[nH]c(CCNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)n1 ZINC000244734565 416330635 /nfs/dbraw/zinc/33/06/35/416330635.db2.gz NIBACSGVQVEREJ-TXEJJXNPSA-N 1 0 317.397 0.725 50 0 DCAARO c1cc(-c2noc(CN3CCN([C@H]4CC[NH2+]C4)CC3)n2)ccn1 ZINC000244899420 416331132 /nfs/dbraw/zinc/33/11/32/416331132.db2.gz ZJQVXCFOLNDBRT-AWEZNQCLSA-N 1 0 314.393 0.611 50 0 DCAARO CN1CC[NH+](CC2CCN(C(=O)C[C@H]3CCOC3)CC2)CC1 ZINC000364330846 416586339 /nfs/dbraw/zinc/58/63/39/416586339.db2.gz TWBPLDHTVLXPQX-MRXNPFEDSA-N 1 0 309.454 0.899 50 0 DCAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCc2nc(N)nc(N(C)C)n2)C1 ZINC000426374423 416762443 /nfs/dbraw/zinc/76/24/43/416762443.db2.gz SQFCBSNJSZBUPU-HNNXBMFYSA-N 1 0 321.429 0.258 50 0 DCAARO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1C[C@H](O)C[NH2+]1 ZINC000299753730 229397698 /nfs/dbraw/zinc/39/76/98/229397698.db2.gz ZDUUSKXYNVJILK-AXTRIDKLSA-N 1 0 319.188 0.866 50 0 DCAARO C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)CS2 ZINC000449653702 271856389 /nfs/dbraw/zinc/85/63/89/271856389.db2.gz CQKLWCUCYQRHPE-AUTRQRHGSA-N 1 0 319.377 0.554 50 0 DCAARO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000058296617 277880304 /nfs/dbraw/zinc/88/03/04/277880304.db2.gz UECYOFMJUMCZHC-WDEREUQCSA-N 1 0 312.414 0.443 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C[C@H](C)O1 ZINC000070177215 288232570 /nfs/dbraw/zinc/23/25/70/288232570.db2.gz ZFNSSXARUWLNLF-WUHRBBMRSA-N 1 0 305.444 0.400 50 0 DCAARO Cc1nc(C[C@@H]2CCCN(C(=O)C[NH2+]C[C@@H]3CCCO3)C2)no1 ZINC000237771895 293276352 /nfs/dbraw/zinc/27/63/52/293276352.db2.gz CZBJMVPXVSKLKG-KBPBESRZSA-N 1 0 322.409 0.928 50 0 DCAARO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000237849459 303427332 /nfs/dbraw/zinc/42/73/32/303427332.db2.gz GIRKANJYKSCDEZ-BXUZGUMPSA-N 1 0 323.418 0.378 50 0 DCAARO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cccnc2)CC1 ZINC000189119267 333063806 /nfs/dbraw/zinc/06/38/06/333063806.db2.gz AYLRRSJMJZUWBK-ZDUSSCGKSA-N 1 0 312.439 0.386 50 0 DCAARO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(C(N)=O)cs1 ZINC000534587699 334292759 /nfs/dbraw/zinc/29/27/59/334292759.db2.gz SILZQYWQWYYKCL-UHFFFAOYSA-N 1 0 305.425 0.466 50 0 DCAARO CN(C)c1nccnc1NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000534660448 334313516 /nfs/dbraw/zinc/31/35/16/334313516.db2.gz QXTIDZGXTVDRDJ-UHFFFAOYSA-N 1 0 306.414 0.542 50 0 DCAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000097103577 337382334 /nfs/dbraw/zinc/38/23/34/337382334.db2.gz CWCULIKULCJJDQ-KXUCPTDWSA-N 1 0 307.316 0.783 50 0 DCAARO C[C@H](C(=O)N1CCC[C@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000158449125 525976301 /nfs/dbraw/zinc/97/63/01/525976301.db2.gz GEFVNIVUBOWWIM-PWSUYJOCSA-N 1 0 314.382 0.938 50 0 DCAARO Cc1cc(N2CCN(C(=O)C[C@H]3CCCOC3)CC2)nc(N)[nH+]1 ZINC000670451533 547096584 /nfs/dbraw/zinc/09/65/84/547096584.db2.gz YPGTYPCPAUTSDD-CYBMUJFWSA-N 1 0 319.409 0.833 50 0 DCAARO CN1CC[C@H](NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000670472290 547101995 /nfs/dbraw/zinc/10/19/95/547101995.db2.gz PPAKIGVAUBLXKY-HNNXBMFYSA-N 1 0 316.405 0.399 50 0 DCAARO COC(=O)CS(=O)(=O)NCC1(C(F)(F)F)CC[NH2+]CC1 ZINC000725264717 548749897 /nfs/dbraw/zinc/74/98/97/548749897.db2.gz MPOGCQULOIVEGR-UHFFFAOYSA-N 1 0 318.317 0.011 50 0 DCAARO CC1(C)CN(CCNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000888096821 661175281 /nfs/dbraw/zinc/17/52/81/661175281.db2.gz RYZZJWUCRXFHJX-MRXNPFEDSA-N 1 0 324.425 0.112 50 0 DCAARO O=C1CCCN1C[C@H](O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000111683166 668140976 /nfs/dbraw/zinc/14/09/76/668140976.db2.gz WJABYDNEUWOPGI-MRXNPFEDSA-N 1 0 319.405 0.498 50 0 DCAARO CCCN(Cc1nccn1C)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952980847 685601188 /nfs/dbraw/zinc/60/11/88/685601188.db2.gz RPDIROKJHOHWBL-ZDUSSCGKSA-N 1 0 321.425 0.356 50 0 DCAARO Cc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)cc1C ZINC000014733412 685048530 /nfs/dbraw/zinc/04/85/30/685048530.db2.gz YQRBIFGAHFRNRK-SNPRPXQTSA-N 1 0 301.390 0.881 50 0 DCAARO O=C1[C@@H]2CSCN2C(=O)[C@H]2C[N@H+](CC3CCCCC3)CCN12 ZINC000014750564 685048558 /nfs/dbraw/zinc/04/85/58/685048558.db2.gz UGZQCTGVKGJVEK-KGLIPLIRSA-N 1 0 323.462 0.995 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000067908109 685070459 /nfs/dbraw/zinc/07/04/59/685070459.db2.gz QCFITTCCEDQAPS-MFKMUULPSA-N 1 0 303.366 0.707 50 0 DCAARO COCc1cc(CN(C)c2nc(N)nc3c2CC[NH2+]CC3)[nH]n1 ZINC000072438701 685074671 /nfs/dbraw/zinc/07/46/71/685074671.db2.gz XTTGYLFOQPEONT-UHFFFAOYSA-N 1 0 317.397 0.253 50 0 DCAARO CC(C)c1cc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)no1 ZINC000082107227 685082623 /nfs/dbraw/zinc/08/26/23/685082623.db2.gz UEHLJPKEXLSLAD-NSHDSACASA-N 1 0 308.382 0.725 50 0 DCAARO CN(C)c1ccc(C[N@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)cn1 ZINC001704280529 1179958471 /nfs/dbraw/zinc/95/84/71/1179958471.db2.gz USHWMNDWWHTPOZ-GDBMZVCRSA-N 1 0 313.405 0.973 50 0 DCAARO CCS(=O)(=O)NC[C@H](C)[NH+]1CCC2(CCC(=O)N2)CC1 ZINC000823412676 758246133 /nfs/dbraw/zinc/24/61/33/758246133.db2.gz CRUXUCCZEDVFKE-NSHDSACASA-N 1 0 303.428 0.059 50 0 DCAARO CC(C)[N@@H+]1C[C@H](NC(=O)CN(C)C(N)=O)[C@@H](c2ccccc2)C1 ZINC000219582401 766272370 /nfs/dbraw/zinc/27/23/70/766272370.db2.gz GAUZVTMCQYFXNC-CABCVRRESA-N 1 0 318.421 0.990 50 0 DCAARO COCCOCC[N@H+](C)CCC(=O)NCCc1ccccn1 ZINC000585121398 766286439 /nfs/dbraw/zinc/28/64/39/766286439.db2.gz OFQOYBQLDOYRRH-UHFFFAOYSA-N 1 0 309.410 0.725 50 0 DCAARO C[C@H](O)C[N@H+](C)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC000952879669 768944147 /nfs/dbraw/zinc/94/41/47/768944147.db2.gz GIOSDEPMVJSQHS-AEGPPILISA-N 1 0 308.378 0.681 50 0 DCAARO O=C1CC2(C[NH2+]C2)N(Cc2nc3ccccc3s2)CCN1 ZINC000864096546 775754563 /nfs/dbraw/zinc/75/45/63/775754563.db2.gz FDUFPJZXIAAUBQ-UHFFFAOYSA-N 1 0 302.403 0.960 50 0 DCAARO CC(=O)N1CCC([N@H+]2C[C@@H](Cc3ccncc3)[C@H](O)C2)CC1 ZINC001529168645 1014511685 /nfs/dbraw/zinc/51/16/85/1014511685.db2.gz JPRBKMIZLHBKQH-NVXWUHKLSA-N 1 0 303.406 0.928 50 0 DCAARO O=C(C1CCC1)N1CCC([N@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)CC1 ZINC001506415342 1017263854 /nfs/dbraw/zinc/26/38/54/1017263854.db2.gz AWRZNGKTDSFEKA-ULAZLLGUSA-N 1 0 322.449 0.841 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC001506423468 1017266765 /nfs/dbraw/zinc/26/67/65/1017266765.db2.gz INLYCYUCYZXRLD-NSHDSACASA-N 1 0 319.413 0.716 50 0 DCAARO CC(C)[NH+]1CCC(CC(=O)NCCc2n[nH]c(=O)n2C)CC1 ZINC000095507044 185375479 /nfs/dbraw/zinc/37/54/79/185375479.db2.gz FWQKPZCOGUTGNV-UHFFFAOYSA-N 1 0 309.414 0.278 50 0 DCAARO CS(=O)(=O)NCc1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1 ZINC000095390104 185351062 /nfs/dbraw/zinc/35/10/62/185351062.db2.gz DVJMAMVEAYVWQL-UHFFFAOYSA-N 1 0 306.391 0.772 50 0 DCAARO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccon1 ZINC000095431041 185363277 /nfs/dbraw/zinc/36/32/77/185363277.db2.gz VZPKMDRRWUCVAG-AWEZNQCLSA-N 1 0 301.346 0.824 50 0 DCAARO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000097032002 185399511 /nfs/dbraw/zinc/39/95/11/185399511.db2.gz FYNUWTSQWKUYNT-LBPRGKRZSA-N 1 0 308.382 0.061 50 0 DCAARO COC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)O)CC1 ZINC000069847683 190828058 /nfs/dbraw/zinc/82/80/58/190828058.db2.gz RIDCKLYMDDJZSB-GXTWGEPZSA-N 1 0 312.410 0.633 50 0 DCAARO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)COCc1ccco1)CC2 ZINC000069951249 190842187 /nfs/dbraw/zinc/84/21/87/190842187.db2.gz ZREBTPPLAOAMMA-STQMWFEESA-N 1 0 306.366 0.662 50 0 DCAARO Cc1cnn(CC2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000072146101 191053377 /nfs/dbraw/zinc/05/33/77/191053377.db2.gz ZTTBBLQFYMJUNN-OAHLLOKOSA-N 1 0 306.410 0.809 50 0 DCAARO CCn1nc(C)c(C(=O)N2CCO[C@]3(C2)C[NH2+]CCOC3)c1C ZINC000072162400 191063103 /nfs/dbraw/zinc/06/31/03/191063103.db2.gz OVDJUUWYSSHOHE-INIZCTEOSA-N 1 0 322.409 0.351 50 0 DCAARO C[C@@H](Cc1cnccn1)NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072425686 191159258 /nfs/dbraw/zinc/15/92/58/191159258.db2.gz FVBXKHPDWSQGGP-LBPRGKRZSA-N 1 0 314.393 0.456 50 0 DCAARO Cn1cc(CCCNc2nc(N)nc3c2CC[NH2+]CC3)cn1 ZINC000072425097 191159465 /nfs/dbraw/zinc/15/94/65/191159465.db2.gz CLOAHBKPZCCJGW-UHFFFAOYSA-N 1 0 301.398 0.525 50 0 DCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3cc(C)on3)CC[C@H]21 ZINC000072428075 191161839 /nfs/dbraw/zinc/16/18/39/191161839.db2.gz FHEQUGLEHBOJJR-GXTWGEPZSA-N 1 0 320.393 0.656 50 0 DCAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)NC2CC2)CC1 ZINC000004702285 181139506 /nfs/dbraw/zinc/13/95/06/181139506.db2.gz XNNZOJYIZFICIU-UHFFFAOYSA-N 1 0 310.467 0.829 50 0 DCAARO NC(=O)C1(NC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)CCCC1 ZINC000426667703 240353721 /nfs/dbraw/zinc/35/37/21/240353721.db2.gz XYYUHLUKVSDNON-GFCCVEGCSA-N 1 0 319.409 0.264 50 0 DCAARO [NH3+][C@H]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000237922770 202391376 /nfs/dbraw/zinc/39/13/76/202391376.db2.gz YKNSOUXMOVGCCV-JTQLQIEISA-N 1 0 302.783 0.673 50 0 DCAARO C[C@H]([NH3+])C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000155478333 291219913 /nfs/dbraw/zinc/21/99/13/291219913.db2.gz FRMNRVWBWNEQEV-NSHDSACASA-N 1 0 306.362 0.927 50 0 DCAARO OCCOCC[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000006552547 181354037 /nfs/dbraw/zinc/35/40/37/181354037.db2.gz GAQQFFVLASHJSE-ZDUSSCGKSA-N 1 0 303.786 0.816 50 0 DCAARO Cc1ncc(CC(=O)N2C[C@H]([NH+](C)C)[C@@H](C(C)C)C2)c(=O)[nH]1 ZINC000091364951 193045769 /nfs/dbraw/zinc/04/57/69/193045769.db2.gz RWZYUHGIFHPUFJ-KGLIPLIRSA-N 1 0 306.410 0.665 50 0 DCAARO O=C(C[N@@H+]1CC[C@]2(C1)CCCNC2=O)NCc1ccccc1 ZINC000091445167 193056562 /nfs/dbraw/zinc/05/65/62/193056562.db2.gz XBVYQZQZBLGTNM-KRWDZBQOSA-N 1 0 301.390 0.905 50 0 DCAARO CC[N@H+](CCO)C[C@@H]1CN(c2ncnc(C)c2C)C[C@@H]1CO ZINC000091548181 193071347 /nfs/dbraw/zinc/07/13/47/193071347.db2.gz HIOSOIOYGSUCCF-HUUCEWRRSA-N 1 0 308.426 0.452 50 0 DCAARO Cc1ccnn1CC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091713630 193096035 /nfs/dbraw/zinc/09/60/35/193096035.db2.gz CWTRIDWFJYQZPA-MRXNPFEDSA-N 1 0 319.409 0.004 50 0 DCAARO O=C(N[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1C1CC1)c1cn[nH]n1 ZINC000091746439 193100904 /nfs/dbraw/zinc/10/09/04/193100904.db2.gz XQIRYOCHQXBHLL-OCCSQVGLSA-N 1 0 305.382 0.424 50 0 DCAARO COc1cccc(CC(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1 ZINC000091637089 193082581 /nfs/dbraw/zinc/08/25/81/193082581.db2.gz QVIWUSNEJKYBNX-HUUCEWRRSA-N 1 0 306.406 0.866 50 0 DCAARO CSCC(=O)N1C[C@H](CO)[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091830879 193114310 /nfs/dbraw/zinc/11/43/10/193114310.db2.gz JMZSBFOZBWITRJ-XJFOESAGSA-N 1 0 316.467 0.526 50 0 DCAARO C[NH+]1CCN(CCc2ncnn2-c2ccc3c(c2)OCO3)CC1 ZINC000091974227 193135240 /nfs/dbraw/zinc/13/52/40/193135240.db2.gz ILKNPWONYUCKQR-UHFFFAOYSA-N 1 0 315.377 0.786 50 0 DCAARO O=C(CCN1CC[NH+](CCO)CC1)Nc1ccc(F)c(F)c1 ZINC000019293106 182113271 /nfs/dbraw/zinc/11/32/71/182113271.db2.gz XICMQOBCAKGYQD-UHFFFAOYSA-N 1 0 313.348 0.903 50 0 DCAARO COc1ccc(CN2CC[NH+](CCO)CC2)c(OC)c1OC ZINC000019606750 182132986 /nfs/dbraw/zinc/13/29/86/182132986.db2.gz PCFSGQBTZGNFKL-UHFFFAOYSA-N 1 0 310.394 0.822 50 0 DCAARO COc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1OC ZINC000020267721 182201953 /nfs/dbraw/zinc/20/19/53/182201953.db2.gz LGRLHLSVCDZSFS-UHFFFAOYSA-N 1 0 300.380 0.816 50 0 DCAARO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000020727306 182244596 /nfs/dbraw/zinc/24/45/96/182244596.db2.gz QKSXSTHQTLQJHD-UHFFFAOYSA-N 1 0 301.387 0.351 50 0 DCAARO O=S1(=O)C[C@H](O)[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000035380210 182773065 /nfs/dbraw/zinc/77/30/65/182773065.db2.gz FZQXFCKUFDXIGB-JYJNAYRXSA-N 1 0 324.446 0.571 50 0 DCAARO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCN1Cc1nccn1C ZINC000106666992 194242162 /nfs/dbraw/zinc/24/21/62/194242162.db2.gz MKYCNWYWZDMQHZ-HUUCEWRRSA-N 1 0 318.425 0.184 50 0 DCAARO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2nnnc2-c2ccccn2)C[C@H](C)O1 ZINC000106794107 194254374 /nfs/dbraw/zinc/25/43/74/194254374.db2.gz TUPMEEGWQYWOAO-FRRDWIJNSA-N 1 0 318.381 0.205 50 0 DCAARO C[N@@H+]1C[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1CO ZINC000065419252 184341149 /nfs/dbraw/zinc/34/11/49/184341149.db2.gz WCUQZFNQQPMLNP-OLZOCXBDSA-N 1 0 301.350 0.267 50 0 DCAARO Cc1[nH+]c(N(C)C)nc(NCCN(C)S(C)(=O)=O)c1C ZINC000065451235 184346545 /nfs/dbraw/zinc/34/65/45/184346545.db2.gz JAFNEMGKAKVLMJ-UHFFFAOYSA-N 1 0 301.416 0.463 50 0 DCAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000065397856 184335769 /nfs/dbraw/zinc/33/57/69/184335769.db2.gz VYAGCLPOZKRMHA-CQSZACIVSA-N 1 0 304.394 0.802 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1nc2cccc(C)n2c1F ZINC000067788633 184486256 /nfs/dbraw/zinc/48/62/56/184486256.db2.gz QRWSSQKQKWXEOS-UWVGGRQHSA-N 1 0 319.340 0.070 50 0 DCAARO C[NH+](C)Cc1ccccc1C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000426507890 257248529 /nfs/dbraw/zinc/24/85/29/257248529.db2.gz NPJCCSRETGIGRS-UHFFFAOYSA-N 1 0 314.393 0.829 50 0 DCAARO Cc1c[nH]c(CNC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000426503594 257248559 /nfs/dbraw/zinc/24/85/59/257248559.db2.gz RXEWMHQLSQSJGJ-STQMWFEESA-N 1 0 307.398 0.459 50 0 DCAARO Cn1c(C[NH3+])nnc1SCC(=O)N1CCOc2ccccc21 ZINC000426484378 257249037 /nfs/dbraw/zinc/24/90/37/257249037.db2.gz BQJZTUFXWCILSL-UHFFFAOYSA-N 1 0 319.390 0.792 50 0 DCAARO Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@H]1C[NH2+]CC[C@H]1O ZINC000426477755 257249554 /nfs/dbraw/zinc/24/95/54/257249554.db2.gz OQAIIQFCWNMQTJ-NWDGAFQWSA-N 1 0 303.366 0.107 50 0 DCAARO CCc1nc2ccccc2n1CCC(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC000426473378 257250129 /nfs/dbraw/zinc/25/01/29/257250129.db2.gz DVNZOZPCZYJZNZ-TZMCWYRMSA-N 1 0 302.378 0.438 50 0 DCAARO C[NH+](C)C[C@@H]1COCCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC000426412442 257251840 /nfs/dbraw/zinc/25/18/40/257251840.db2.gz LTQKUTAHYKTJPG-NSHDSACASA-N 1 0 320.393 0.710 50 0 DCAARO Cc1ncsc1CC[N@@H+](C)Cc1cc(=O)n2[nH]cnc2n1 ZINC000334159608 257261739 /nfs/dbraw/zinc/26/17/39/257261739.db2.gz MUVUBKLFPWFOTO-UHFFFAOYSA-N 1 0 304.379 0.857 50 0 DCAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014542702 395689698 /nfs/dbraw/zinc/68/96/98/395689698.db2.gz KWLOXROKZBWOHS-UHFFFAOYSA-N 1 0 324.425 0.637 50 0 DCAARO C[NH+]1CCN(CCCn2c(=O)c3cccnc3[nH]c2=S)CC1 ZINC000020618225 395691310 /nfs/dbraw/zinc/69/13/10/395691310.db2.gz FLIUPOCHCADSNX-UHFFFAOYSA-N 1 0 319.434 0.718 50 0 DCAARO Cc1ccc(-c2ccc(=O)n(CC(=O)NCC[NH+](C)C)n2)cc1 ZINC000000220025 395680083 /nfs/dbraw/zinc/68/00/83/395680083.db2.gz ZFNAWHPUCPSXBF-UHFFFAOYSA-N 1 0 314.389 0.897 50 0 DCAARO C[N@@H+]1CCC[C@@H]1CCN1CCN(c2ccc3nncn3n2)CC1 ZINC000089375360 395710345 /nfs/dbraw/zinc/71/03/45/395710345.db2.gz DKRWQWJVGZCSCS-CQSZACIVSA-N 1 0 315.425 0.731 50 0 DCAARO Cc1[nH+]c(N)nc(N[C@@H]2C[NH+]3CCC2CC3)c1CCC(=O)[O-] ZINC000095389445 395740292 /nfs/dbraw/zinc/74/02/92/395740292.db2.gz DBORSZCPYNJZID-GFCCVEGCSA-N 1 0 305.382 0.891 50 0 DCAARO CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000096404639 395752945 /nfs/dbraw/zinc/75/29/45/395752945.db2.gz INLYJLWAOKHDLL-JTQLQIEISA-N 1 0 314.386 0.431 50 0 DCAARO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000096441628 395753318 /nfs/dbraw/zinc/75/33/18/395753318.db2.gz QXMXDBMDKABSFP-SNVBAGLBSA-N 1 0 305.304 0.669 50 0 DCAARO Cc1ccn(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(=O)c1 ZINC000096455274 395753752 /nfs/dbraw/zinc/75/37/52/395753752.db2.gz BGOCARABDFFGFV-OAHLLOKOSA-N 1 0 321.421 0.630 50 0 DCAARO O=C(Cn1cccnc1=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000097797388 395761099 /nfs/dbraw/zinc/76/10/99/395761099.db2.gz KOJOTWOLPKEKBR-UHFFFAOYSA-N 1 0 322.434 0.283 50 0 DCAARO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000046147910 395771350 /nfs/dbraw/zinc/77/13/50/395771350.db2.gz NDARZRZEJYSWRG-HUUCEWRRSA-N 1 0 301.390 0.855 50 0 DCAARO C[NH+]1CCC(N2CCN(Cc3ccon3)C[C@H]2CCO)CC1 ZINC000104296001 395778497 /nfs/dbraw/zinc/77/84/97/395778497.db2.gz BOJORUFSFGQMCA-MRXNPFEDSA-N 1 0 308.426 0.637 50 0 DCAARO NC(=O)C1CC[NH+](CCCc2nnnn2-c2ccccc2)CC1 ZINC000051185774 395848542 /nfs/dbraw/zinc/84/85/42/395848542.db2.gz WHGJSKPCMZAXRI-UHFFFAOYSA-N 1 0 314.393 0.792 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)Cc1csc(-c2cnccn2)n1 ZINC000124325314 395900686 /nfs/dbraw/zinc/90/06/86/395900686.db2.gz ZMOYQOKCTXSOQG-SNVBAGLBSA-N 1 0 303.391 0.963 50 0 DCAARO C[N@H+](CCNC(=O)N1CC[C@H](C(N)=O)C1)Cc1ccccc1 ZINC000054764666 395905422 /nfs/dbraw/zinc/90/54/22/395905422.db2.gz WGACSYRDUPHMQC-AWEZNQCLSA-N 1 0 304.394 0.635 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000125781750 395905813 /nfs/dbraw/zinc/90/58/13/395905813.db2.gz ROEOAXGZOSSNLV-QFYYESIMSA-N 1 0 316.361 0.175 50 0 DCAARO O=C(NCc1cccnc1OCC(F)(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238091608 395921122 /nfs/dbraw/zinc/92/11/22/395921122.db2.gz SROCEUXGROCTFR-UWVGGRQHSA-N 1 0 319.283 0.362 50 0 DCAARO Cc1noc(CN(C)C(=O)CC[C@H](C)[NH+]2CCN(C)CC2)n1 ZINC000244866590 395926281 /nfs/dbraw/zinc/92/62/81/395926281.db2.gz VYQMIXQWZLRNDY-LBPRGKRZSA-N 1 0 309.414 0.753 50 0 DCAARO O=C(Nc1cccnc1)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000245339348 395927395 /nfs/dbraw/zinc/92/73/95/395927395.db2.gz SEBLEXMEDDEHGQ-QEJZJMRPSA-N 1 0 314.389 0.963 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(Cc2ccccc2)CC1 ZINC000052875716 395873052 /nfs/dbraw/zinc/87/30/52/395873052.db2.gz DLRFNRDXICNGRK-QGZVFWFLSA-N 1 0 317.433 0.788 50 0 DCAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000229554734 395875460 /nfs/dbraw/zinc/87/54/60/395875460.db2.gz FVJUPHLRWSUWDD-OWCLPIDISA-N 1 0 324.425 0.689 50 0 DCAARO CN1CCO[C@H](C[NH2+]C[C@@H](O)c2ccc3c(c2)OCCO3)C1 ZINC000229555376 395875896 /nfs/dbraw/zinc/87/58/96/395875896.db2.gz SWDWIKKHIZCEGQ-ZIAGYGMSSA-N 1 0 308.378 0.411 50 0 DCAARO C[C@H](C(=O)NC1CC1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000058343358 395953242 /nfs/dbraw/zinc/95/32/42/395953242.db2.gz ZVLQSZWHJYTYBT-GFCCVEGCSA-N 1 0 306.410 0.722 50 0 DCAARO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CN1CCNCC1=O ZINC000151374796 395984322 /nfs/dbraw/zinc/98/43/22/395984322.db2.gz DSSCBJDRGWXNFH-JTQLQIEISA-N 1 0 311.332 0.916 50 0 DCAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C1=NNC(=O)CC1 ZINC000067769835 396033062 /nfs/dbraw/zinc/03/30/62/396033062.db2.gz OGMFXJURTQEKKC-LBPRGKRZSA-N 1 0 314.389 0.815 50 0 DCAARO CCn1c(=O)n(Cc2cc(OC)ccn2)nc1[C@H]1CCC[NH2+]C1 ZINC000067771359 396033156 /nfs/dbraw/zinc/03/31/56/396033156.db2.gz PBJUUSIDYPFDHN-LBPRGKRZSA-N 1 0 317.393 0.984 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000067773158 396033315 /nfs/dbraw/zinc/03/33/15/396033315.db2.gz FXELWUOCHJKRBB-JSGCOSHPSA-N 1 0 300.362 0.846 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1c(Cl)cnn1CC ZINC000067816986 396034610 /nfs/dbraw/zinc/03/46/10/396034610.db2.gz XPMCBZSCGZFBAI-WPRPVWTQSA-N 1 0 313.789 0.234 50 0 DCAARO COCCN1CCOC[C@H]2CCN(C(=O)c3cnccn3)C[C@H]21 ZINC000257190819 396035219 /nfs/dbraw/zinc/03/52/19/396035219.db2.gz PAZBPXFQQDXSDI-UKRRQHHQSA-N 1 0 320.393 0.286 50 0 DCAARO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(Cc2ccccc2F)CC1 ZINC000257196103 396036363 /nfs/dbraw/zinc/03/63/63/396036363.db2.gz XOPABVHWVUBUIK-ZBFHGGJFSA-N 1 0 321.396 0.711 50 0 DCAARO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000067863799 396037316 /nfs/dbraw/zinc/03/73/16/396037316.db2.gz XVIQIBLDEVOMRI-BZNIZROVSA-N 1 0 320.393 0.060 50 0 DCAARO CCn1cncc1CNC(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067909946 396039144 /nfs/dbraw/zinc/03/91/44/396039144.db2.gz KGFWKZXGMSSHGE-LBPRGKRZSA-N 1 0 317.397 0.424 50 0 DCAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1)C1CC1 ZINC000257366181 396047080 /nfs/dbraw/zinc/04/70/80/396047080.db2.gz MISFJFNXPIYAGY-PKWAYOAASA-N 1 0 322.409 0.211 50 0 DCAARO CCOC(=O)N1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000066475279 396007931 /nfs/dbraw/zinc/00/79/31/396007931.db2.gz NBHCPBHURUDTAQ-HNNXBMFYSA-N 1 0 313.442 0.853 50 0 DCAARO C[C@H](O)C[NH+]1CCC(CN(C)Cc2nnnn2C2CC2)CC1 ZINC000069658993 396086391 /nfs/dbraw/zinc/08/63/91/396086391.db2.gz XNLYFDYRCDQQBM-LBPRGKRZSA-N 1 0 308.430 0.533 50 0 DCAARO CN(Cc1cccc(F)c1)C(=O)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000069702851 396087700 /nfs/dbraw/zinc/08/77/00/396087700.db2.gz XGOUGNQGXCJZRR-HNNXBMFYSA-N 1 0 309.385 0.704 50 0 DCAARO CCCCn1nnnc1C[NH2+]C[C@H]1CCc2nnc(CC)n2C1 ZINC000069739215 396088821 /nfs/dbraw/zinc/08/88/21/396088821.db2.gz ZLMBYHYTBVVUPN-GFCCVEGCSA-N 1 0 318.429 0.979 50 0 DCAARO COCCN1C(=O)[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]2C1=O ZINC000169751586 396091250 /nfs/dbraw/zinc/09/12/50/396091250.db2.gz URBZGYKNTOJZRZ-BETUJISGSA-N 1 0 306.337 0.889 50 0 DCAARO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000069872870 396093122 /nfs/dbraw/zinc/09/31/22/396093122.db2.gz HWQJZPWFHWLPNM-CQSZACIVSA-N 1 0 303.410 1.000 50 0 DCAARO COc1cccc(C(=O)N[C@@H]2CN(C)C[C@H]2C[NH+](C)C)c1OC ZINC000169790613 396093389 /nfs/dbraw/zinc/09/33/89/396093389.db2.gz IGXKKTGNSVBQCI-TZMCWYRMSA-N 1 0 321.421 0.925 50 0 DCAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000069893048 396093961 /nfs/dbraw/zinc/09/39/61/396093961.db2.gz KRSKZRVPBPTOCK-JYJNAYRXSA-N 1 0 309.410 0.904 50 0 DCAARO Cc1nc(CN2CCC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)no1 ZINC000069928625 396095707 /nfs/dbraw/zinc/09/57/07/396095707.db2.gz DCXYTOHXCWRQJF-NSHDSACASA-N 1 0 318.385 0.454 50 0 DCAARO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000069981816 396097382 /nfs/dbraw/zinc/09/73/82/396097382.db2.gz ORYNBXPUVREIMP-RYUDHWBXSA-N 1 0 317.397 0.987 50 0 DCAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000071877022 396121464 /nfs/dbraw/zinc/12/14/64/396121464.db2.gz FVJUPHLRWSUWDD-JYJNAYRXSA-N 1 0 324.425 0.689 50 0 DCAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)c1 ZINC000071875888 396121534 /nfs/dbraw/zinc/12/15/34/396121534.db2.gz AHCNCAWWVSXFCM-ZDUSSCGKSA-N 1 0 319.409 0.986 50 0 DCAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)COC)CC1 ZINC000071920302 396125275 /nfs/dbraw/zinc/12/52/75/396125275.db2.gz NMGSLWHDVPUMCN-UONOGXRCSA-N 1 0 300.447 0.594 50 0 DCAARO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)Cn2cc(C)cn2)C1 ZINC000072253199 396127205 /nfs/dbraw/zinc/12/72/05/396127205.db2.gz ATXKMJPBKGQIAD-DZGCQCFKSA-N 1 0 321.425 0.297 50 0 DCAARO C[C@@H](NC(=O)C[NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000072267907 396127958 /nfs/dbraw/zinc/12/79/58/396127958.db2.gz YTUCELNNIBBZSI-DOMZBBRYSA-N 1 0 309.385 0.923 50 0 DCAARO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000072300483 396130657 /nfs/dbraw/zinc/13/06/57/396130657.db2.gz IIWHERDYFFBEFY-RWMBFGLXSA-N 1 0 319.471 0.503 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000075131982 396176573 /nfs/dbraw/zinc/17/65/73/396176573.db2.gz GVUWSEUCYKUQQA-ZDUSSCGKSA-N 1 0 315.443 0.414 50 0 DCAARO CCc1nc2n(n1)C[C@@H]([NH2+]CC(=O)NCc1ccccn1)CC2 ZINC000075603624 396182482 /nfs/dbraw/zinc/18/24/82/396182482.db2.gz XGFONSYNKLTUQO-ZDUSSCGKSA-N 1 0 314.393 0.456 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)CC1 ZINC000076056662 396194730 /nfs/dbraw/zinc/19/47/30/396194730.db2.gz QWLHFSVJICFTCZ-ZBFHGGJFSA-N 1 0 322.453 0.093 50 0 DCAARO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1nnc2ccccn21 ZINC000182709975 396252712 /nfs/dbraw/zinc/25/27/12/396252712.db2.gz IMRCQVHYPDWTQR-GFCCVEGCSA-N 1 0 303.366 0.629 50 0 DCAARO O[C@@]1(CN2CCN(c3ccc(Cl)cn3)CC2)CCC[NH2+]C1 ZINC000077287822 396217163 /nfs/dbraw/zinc/21/71/63/396217163.db2.gz BICOEKHLXBGCGM-HNNXBMFYSA-N 1 0 310.829 0.972 50 0 DCAARO O=C1CCc2cc(S(=O)(=O)N3CC[C@H]4C[NH2+]C[C@H]43)ccc2N1 ZINC000077406295 396221248 /nfs/dbraw/zinc/22/12/48/396221248.db2.gz NYUFQYRZVXWXQP-SMDDNHRTSA-N 1 0 321.402 0.554 50 0 DCAARO COc1ccc([C@@H](C)NC(=O)c2cn(CC[NH3+])nn2)cc1F ZINC000077422270 396221902 /nfs/dbraw/zinc/22/19/02/396221902.db2.gz ONWCIUQJIRSEAX-SECBINFHSA-N 1 0 307.329 0.876 50 0 DCAARO CC[C@H](NC(=O)c1cn(CC[NH3+])nn1)c1cn2cccnc2n1 ZINC000077469962 396223168 /nfs/dbraw/zinc/22/31/68/396223168.db2.gz MBVHPGPZESHRQY-JTQLQIEISA-N 1 0 314.353 0.161 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)N1CCCN(Cc2cccnc2)CC1 ZINC000082092501 396310849 /nfs/dbraw/zinc/31/08/49/396310849.db2.gz RUEHJOQVOZSNFI-INIZCTEOSA-N 1 0 318.421 0.494 50 0 DCAARO CCC[NH+]1CCN(c2cc(N3CCN(C)C(=O)C3)ncn2)CC1 ZINC000185883536 396336686 /nfs/dbraw/zinc/33/66/86/396336686.db2.gz ZJPMJTVFRUQXOT-UHFFFAOYSA-N 1 0 318.425 0.287 50 0 DCAARO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408093316 397346220 /nfs/dbraw/zinc/34/62/20/397346220.db2.gz OBYSCACUJXYZJM-MHEUCROKSA-N 1 0 311.426 0.469 50 0 DCAARO COCC1(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H](O)C2)CC1 ZINC000097717358 292212499 /nfs/dbraw/zinc/21/24/99/292212499.db2.gz BHUUZDDTNCGZRJ-AWEZNQCLSA-N 1 0 305.378 0.518 50 0 DCAARO C[NH+](C)C1(CNC(=O)c2ccc3n[nH]nc3c2)CCOCC1 ZINC000073131069 158053864 /nfs/dbraw/zinc/05/38/64/158053864.db2.gz VZYRVUDUYQWHHB-UHFFFAOYSA-N 1 0 303.366 0.799 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)C1 ZINC000255471190 287125087 /nfs/dbraw/zinc/12/50/87/287125087.db2.gz YNHQOWLILMPDKJ-PIZKADEWSA-N 1 0 317.389 0.774 50 0 DCAARO CS(=O)(=O)c1ccc(OCCC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000132617052 196270534 /nfs/dbraw/zinc/27/05/34/196270534.db2.gz NCCALCUYWAQTSE-LLVKDONJSA-N 1 0 312.391 0.419 50 0 DCAARO C[NH+]1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1 ZINC000000252400 415126863 /nfs/dbraw/zinc/12/68/63/415126863.db2.gz FYKZOKRROIVQAC-UHFFFAOYSA-N 1 0 320.780 0.931 50 0 DCAARO C[C@@H]1C[C@@H](C)C[NH+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000044937500 415236358 /nfs/dbraw/zinc/23/63/58/415236358.db2.gz CVRZDUOSQVUEBU-VXGBXAGGSA-N 1 0 300.428 0.676 50 0 DCAARO CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000047614685 415273385 /nfs/dbraw/zinc/27/33/85/415273385.db2.gz YXLVIECQTSAREQ-AWEZNQCLSA-N 1 0 318.421 0.888 50 0 DCAARO COc1ccc(C(=O)N[C@H]2C[C@H]3CN(C)CC[N@@H+]3C2)c(O)c1 ZINC000067648872 415379534 /nfs/dbraw/zinc/37/95/34/415379534.db2.gz SGWAOXQZKGYTTA-RYUDHWBXSA-N 1 0 305.378 0.519 50 0 DCAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[C@H](O)C3)cnn2c1 ZINC000067833956 415384835 /nfs/dbraw/zinc/38/48/35/415384835.db2.gz AGBQOFPZRZFYTD-ZDUSSCGKSA-N 1 0 317.393 0.778 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCCOc1ccccc1 ZINC000067725484 415385175 /nfs/dbraw/zinc/38/51/75/415385175.db2.gz UEBMGLRZPIRCFU-OCCSQVGLSA-N 1 0 305.378 0.520 50 0 DCAARO CNc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)cc1 ZINC000067833622 415385338 /nfs/dbraw/zinc/38/53/38/415385338.db2.gz FPMNIAAZOIBCFM-JSGCOSHPSA-N 1 0 304.394 0.795 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(OC)cc3)nn2)C[NH2+]1 ZINC000067787268 415386660 /nfs/dbraw/zinc/38/66/60/415386660.db2.gz BBDAOYZNHATDIJ-OCCSQVGLSA-N 1 0 315.377 0.993 50 0 DCAARO COc1ccccc1CNC(=O)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000075133362 415437218 /nfs/dbraw/zinc/43/72/18/415437218.db2.gz SCKPVOJEFIEGLG-CQSZACIVSA-N 1 0 307.394 0.232 50 0 DCAARO Cn1nnnc1SCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095381378 415557747 /nfs/dbraw/zinc/55/77/47/415557747.db2.gz DVIRRNSSHORCPO-NSHDSACASA-N 1 0 312.443 0.683 50 0 DCAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCOC[C@H](O)C3)CC2)n1 ZINC000095525550 415562594 /nfs/dbraw/zinc/56/25/94/415562594.db2.gz GAMVNCLOXRUJMV-OAHLLOKOSA-N 1 0 306.410 0.755 50 0 DCAARO CCc1n[nH]cc1C(=O)N1CCC2(CC[NH2+]C[C@H]2CO)CC1 ZINC000097088072 415580889 /nfs/dbraw/zinc/58/08/89/415580889.db2.gz FVLHGVVLJZIHJH-LBPRGKRZSA-N 1 0 306.410 0.796 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)c(C)s2)C1 ZINC000132896650 415939185 /nfs/dbraw/zinc/93/91/85/415939185.db2.gz JMGVTGLUXJRSCS-SECBINFHSA-N 1 0 317.436 0.528 50 0 DCAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000299739804 416063724 /nfs/dbraw/zinc/06/37/24/416063724.db2.gz RNCIGAGBPHZCAB-RWMBFGLXSA-N 1 0 317.455 0.386 50 0 DCAARO Cc1[nH]nc(C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)c1Cl ZINC000299756496 416064907 /nfs/dbraw/zinc/06/49/07/416064907.db2.gz JCNXTWZCTBUUQR-SNVBAGLBSA-N 1 0 300.790 0.948 50 0 DCAARO COCC(=O)NCc1cc2n(n1)CCN(c1cc[nH+]c(C)c1)C2 ZINC000299772666 416065626 /nfs/dbraw/zinc/06/56/26/416065626.db2.gz AZZULLBBHMUVBG-UHFFFAOYSA-N 1 0 315.377 0.869 50 0 DCAARO COc1ccccc1C(=O)NCc1nnc2n1CC[NH2+]CC2 ZINC000299781919 416067731 /nfs/dbraw/zinc/06/77/31/416067731.db2.gz IPKWKBRLOBHTBH-UHFFFAOYSA-N 1 0 301.350 0.362 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)C[C@H](C)[NH2+]1 ZINC000179147366 416182800 /nfs/dbraw/zinc/18/28/00/416182800.db2.gz AXEZLHAFZITWRR-QWRGUYRKSA-N 1 0 311.407 0.298 50 0 DCAARO O=C(C[N@H+]1CCC[C@H]1CO)NC[C@H]1COc2ccccc2O1 ZINC000247794209 416333180 /nfs/dbraw/zinc/33/31/80/416333180.db2.gz BSYDPSFPONLUCZ-STQMWFEESA-N 1 0 306.362 0.399 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248500732 416333657 /nfs/dbraw/zinc/33/36/57/416333657.db2.gz VEKMBMPOUMPJTB-STQMWFEESA-N 1 0 317.455 0.259 50 0 DCAARO Cn1nncc1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000253395683 416334793 /nfs/dbraw/zinc/33/47/93/416334793.db2.gz PFCRWZDAWMUCET-KBPBESRZSA-N 1 0 315.377 0.180 50 0 DCAARO Cc1c[nH]c([C@@H](C)NC(=O)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000215418536 416326906 /nfs/dbraw/zinc/32/69/06/416326906.db2.gz MATGTWNPMOIGER-SECBINFHSA-N 1 0 308.363 0.857 50 0 DCAARO CCOCCN1CC[NH+](C[C@@H](O)CO[C@H](C)COC)CC1 ZINC000225570385 416327712 /nfs/dbraw/zinc/32/77/12/416327712.db2.gz HXBZZXARERGFBX-HUUCEWRRSA-N 1 0 304.431 0.053 50 0 DCAARO O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238008781 416329697 /nfs/dbraw/zinc/32/96/97/416329697.db2.gz FXYPFINZCUVCPB-YUSALJHKSA-N 1 0 323.780 0.284 50 0 DCAARO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncnc(N)c2Cl)CC1 ZINC000240412666 416330050 /nfs/dbraw/zinc/33/00/50/416330050.db2.gz FNQLGEJUVWHOEM-SNVBAGLBSA-N 1 0 324.816 0.455 50 0 DCAARO C[C@H](C(=O)Nc1nccs1)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000241644452 416330125 /nfs/dbraw/zinc/33/01/25/416330125.db2.gz PQWCOEWILVCBTJ-GRYCIOLGSA-N 1 0 312.439 0.857 50 0 DCAARO Cc1nn(C)cc1C(=O)N[C@H]([C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000244633271 416330317 /nfs/dbraw/zinc/33/03/17/416330317.db2.gz GAEFGUVIOROQLS-GUTXKFCHSA-N 1 0 306.410 0.597 50 0 DCAARO COCCn1c(CN2CCSCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244691870 416330632 /nfs/dbraw/zinc/33/06/32/416330632.db2.gz JKKYTGFNJDFJBV-HAQNSBGRSA-N 1 0 311.455 0.678 50 0 DCAARO NC(=O)c1ccc(NC(=O)CN2C[C@H]3CC[C@@H](C2)[C@H]3O)cc1 ZINC000244701235 416330792 /nfs/dbraw/zinc/33/07/92/416330792.db2.gz KCOFFXDPLGQFEC-JYAVWHMHSA-N 1 0 303.362 0.427 50 0 DCAARO CC[N@@H+]1CCCC[C@H]1CNc1ncnc(C(=O)OC)c1OC ZINC000585141933 416520289 /nfs/dbraw/zinc/52/02/89/416520289.db2.gz IVQGXUOAJAZDSO-NSHDSACASA-N 1 0 308.382 1.558 50 0 DCAARO CC(C)(NC(=O)c1cccc(OCC[NH3+])c1)c1nnc(N)s1 ZINC000426506561 416772862 /nfs/dbraw/zinc/77/28/62/416772862.db2.gz GLVKCDKNTULSHM-UHFFFAOYSA-N 1 0 321.406 1.123 50 0 DCAARO CC(=O)N1CC[C@@]([NH3+])(C(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000649283999 418221140 /nfs/dbraw/zinc/22/11/40/418221140.db2.gz AGTDNPXXXMHYRR-INIZCTEOSA-N 1 0 317.393 0.570 50 0 DCAARO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCc2nnc[nH]2)CC1 ZINC000655115969 418228953 /nfs/dbraw/zinc/22/89/53/418228953.db2.gz TVDRQLKXONERHN-OCCSQVGLSA-N 1 0 307.398 0.210 50 0 DCAARO C[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000237455635 277544670 /nfs/dbraw/zinc/54/46/70/277544670.db2.gz ZMFRRAJENAZYGT-MNOVXSKESA-N 1 0 314.382 0.808 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CC2(CCCC2)C1=O ZINC000095475557 279308373 /nfs/dbraw/zinc/30/83/73/279308373.db2.gz MIBSWAADOZIXOU-CYBMUJFWSA-N 1 0 321.421 0.906 50 0 DCAARO COc1cccc2c(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)[nH]nc21 ZINC000563395700 288668451 /nfs/dbraw/zinc/66/84/51/288668451.db2.gz MCEUOBYLEJRGCN-QWRGUYRKSA-N 1 0 304.350 0.318 50 0 DCAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(S(N)(=O)=O)cc1)C2 ZINC000091444877 290310023 /nfs/dbraw/zinc/31/00/23/290310023.db2.gz PTKDZGMJBATHBK-WCQYABFASA-N 1 0 323.418 0.500 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000252221823 297049432 /nfs/dbraw/zinc/04/94/32/297049432.db2.gz ZFNSSXARUWLNLF-LOWDOPEQSA-N 1 0 305.444 0.400 50 0 DCAARO C[NH+]1CCC(OCCCNS(=O)(=O)c2cn[nH]c2)CC1 ZINC000534629891 334305181 /nfs/dbraw/zinc/30/51/81/334305181.db2.gz YMVMLIOSAAFLDU-UHFFFAOYSA-N 1 0 302.400 0.189 50 0 DCAARO CCn1cc(C[NH2+][C@@H](C)CNS(=O)(=O)C2CC2)c(C)n1 ZINC000534644790 334306810 /nfs/dbraw/zinc/30/68/10/334306810.db2.gz ICKRCEVCKGNPBG-JTQLQIEISA-N 1 0 300.428 0.771 50 0 DCAARO O=S(=O)(NC[C@@]1(O)CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000534653032 334312762 /nfs/dbraw/zinc/31/27/62/334312762.db2.gz HFNFLZJQZDYQEJ-GFCCVEGCSA-N 1 0 304.799 0.733 50 0 DCAARO O=S(=O)(CCOc1ccccc1F)NC[C@@H]1C[NH2+]CCO1 ZINC000534671151 334320585 /nfs/dbraw/zinc/32/05/85/334320585.db2.gz WULSHFVRALTNTF-NSHDSACASA-N 1 0 318.370 0.112 50 0 DCAARO Cc1oc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1S(N)(=O)=O ZINC000154262913 534537352 /nfs/dbraw/zinc/53/73/52/534537352.db2.gz VVQQDXRTTKMWLZ-HTQZYQBOSA-N 1 0 301.368 0.058 50 0 DCAARO COc1ccc(CN2CCN(C(=O)C3([NH3+])CC3)CC2)cc1F ZINC000237298412 524030409 /nfs/dbraw/zinc/03/04/09/524030409.db2.gz CALJIKVURRWMFM-UHFFFAOYSA-N 1 0 307.369 0.970 50 0 DCAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000366408478 524842770 /nfs/dbraw/zinc/84/27/70/524842770.db2.gz OYBMTXYIANBUPM-TUAOUCFPSA-N 1 0 305.382 0.348 50 0 DCAARO Cn1c2ccccc2n(CCC(=O)N2CCC[C@@H]([NH3+])C2)c1=O ZINC000191363049 527111665 /nfs/dbraw/zinc/11/16/65/527111665.db2.gz YVELJUGHERHRGO-GFCCVEGCSA-N 1 0 302.378 0.680 50 0 DCAARO C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)C[C@@H]1[NH+](C)C ZINC000084714309 545701836 /nfs/dbraw/zinc/70/18/36/545701836.db2.gz VTLAMOWSTUQUCA-STQMWFEESA-N 1 0 321.425 0.180 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)CN(C)Cc1cccnc1 ZINC000670443509 547093497 /nfs/dbraw/zinc/09/34/97/547093497.db2.gz PGTJCZYYURHGSI-GJZGRUSLSA-N 1 0 306.410 0.349 50 0 DCAARO COC(=O)N[C@@H](C)C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000670451719 547096712 /nfs/dbraw/zinc/09/67/12/547096712.db2.gz NRJHDHBPXPIFFD-LBPRGKRZSA-N 1 0 313.398 0.180 50 0 DCAARO COCc1nnc(NC(=O)C[N@H+](C)C[C@@H]2CCOC2)s1 ZINC000670468939 547099951 /nfs/dbraw/zinc/09/99/51/547099951.db2.gz YULTWZJIUSCEGB-VIFPVBQESA-N 1 0 300.384 0.591 50 0 DCAARO Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2c[nH]c3nccnc23)cn1 ZINC000685940038 548746070 /nfs/dbraw/zinc/74/60/70/548746070.db2.gz BJGOWMWOKVAIKC-QWHCGFSZSA-N 1 0 314.349 0.579 50 0 DCAARO C[C@@H](NC(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1)c1ncnn1C ZINC000685941376 548746952 /nfs/dbraw/zinc/74/69/52/548746952.db2.gz AWAHPMPDQNZSRM-SNVBAGLBSA-N 1 0 317.397 0.838 50 0 DCAARO C[C@H](C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1)n1ccnc1 ZINC000426409473 661579641 /nfs/dbraw/zinc/57/96/41/661579641.db2.gz RPDWQMZIAJXXRW-CQSZACIVSA-N 1 0 306.410 0.893 50 0 DCAARO C[NH+](C)C[C@@H]1COCCN(C(=O)NCc2csc(N)n2)C1 ZINC000426512163 661606776 /nfs/dbraw/zinc/60/67/76/661606776.db2.gz MZOZWLIKEGGAND-JTQLQIEISA-N 1 0 313.427 0.275 50 0 DCAARO C[C@@H](CCC(=O)N1CCN(Cc2nc[nH]n2)CC1)[NH+]1CCCC1 ZINC000426599019 661630377 /nfs/dbraw/zinc/63/03/77/661630377.db2.gz VBGGQQNGXILEPZ-AWEZNQCLSA-N 1 0 320.441 0.713 50 0 DCAARO COc1cccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1O ZINC000863947751 667196428 /nfs/dbraw/zinc/19/64/28/667196428.db2.gz DZSUJIGRKFYXPM-AAEUAGOBSA-N 1 0 307.394 0.765 50 0 DCAARO CCOC(=O)c1cnc(N[C@@H]2CCC[N@H+](CCO)C2)nc1C ZINC000395241741 685269321 /nfs/dbraw/zinc/26/93/21/685269321.db2.gz QILKLSQMENXUPU-GFCCVEGCSA-N 1 0 308.382 0.830 50 0 DCAARO CCCC[C@H]1C(=O)N(C)CCN1C(=O)CN1CCC[N@H+](C)CC1 ZINC000952984549 685601806 /nfs/dbraw/zinc/60/18/06/685601806.db2.gz VUWJRTYNLGSMOF-HNNXBMFYSA-N 1 0 324.469 0.483 50 0 DCAARO O=C(CCCN1CCCC1=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000952982207 685601871 /nfs/dbraw/zinc/60/18/71/685601871.db2.gz QPQXCJXDMDIDON-UHFFFAOYSA-N 1 0 323.437 0.712 50 0 DCAARO CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccccc3)CN2C1=O ZINC000014733399 685049022 /nfs/dbraw/zinc/04/90/22/685049022.db2.gz RSGYQVQVVOYCSL-KKUMJFAQSA-N 1 0 301.390 0.900 50 0 DCAARO CN(C)S(=O)(=O)N1CCC[C@H](N(C)CCC[NH+](C)C)C1 ZINC000015076255 685049539 /nfs/dbraw/zinc/04/95/39/685049539.db2.gz YLPGCYBYHVGSJG-ZDUSSCGKSA-N 1 0 306.476 0.141 50 0 DCAARO CNC(=O)c1cccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[NH2+]CC3)c1 ZINC000065421652 685064604 /nfs/dbraw/zinc/06/46/04/685064604.db2.gz MSYQXAIWWXZAPF-OLZOCXBDSA-N 1 0 323.418 0.561 50 0 DCAARO O=C(NC1CC[NH2+]CC1)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001704278132 1179958962 /nfs/dbraw/zinc/95/89/62/1179958962.db2.gz ACDLFRVNLZFSMJ-CABCVRRESA-N 1 0 303.362 0.111 50 0 DCAARO C[NH+]1CCC(O)(c2ncnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000823761103 758265206 /nfs/dbraw/zinc/26/52/06/758265206.db2.gz HIJLGXBEANMPQR-UHFFFAOYSA-N 1 0 316.361 0.952 50 0 DCAARO COCC1CCN(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000824372049 758771814 /nfs/dbraw/zinc/77/18/14/758771814.db2.gz DBMZOHIVYOBFNA-AWEZNQCLSA-N 1 0 319.471 0.616 50 0 DCAARO O=S(=O)(NCCC[N@H+]1CCC[C@H](O)C1)N1CCCCC1 ZINC000828627353 759048811 /nfs/dbraw/zinc/04/88/11/759048811.db2.gz GJOHKHDTJVVRBI-ZDUSSCGKSA-N 1 0 305.444 0.154 50 0 DCAARO O=c1ccc(C2CC2)nn1CC1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000585505341 768082898 /nfs/dbraw/zinc/08/28/98/768082898.db2.gz PAVQVQSGRLDRRH-HOTGVXAUSA-N 1 0 319.405 0.592 50 0 DCAARO Cc1sc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1S(N)(=O)=O ZINC000585086667 766272156 /nfs/dbraw/zinc/27/21/56/766272156.db2.gz JLQGEZBFOUQFGQ-QMMMGPOBSA-N 1 0 303.409 0.138 50 0 DCAARO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CN(C)S(C)(=O)=O ZINC000585126160 766288894 /nfs/dbraw/zinc/28/88/94/766288894.db2.gz QNZSRGZOSSRISJ-OLZOCXBDSA-N 1 0 319.471 0.599 50 0 DCAARO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000585121115 766286788 /nfs/dbraw/zinc/28/67/88/766286788.db2.gz GLBREAZSHWFBRJ-CKEIUWERSA-N 1 0 323.437 0.206 50 0 DCAARO C[C@](O)(C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1)C(F)(F)F ZINC000952877367 768942398 /nfs/dbraw/zinc/94/23/98/768942398.db2.gz OZAUOBKIZXCOFS-JQWIXIFHSA-N 1 0 309.332 0.196 50 0 DCAARO OC[C@H]1CN(c2nc(-c3ccccn3)nc3c2CCC3)CC[NH2+]1 ZINC000952883715 768952011 /nfs/dbraw/zinc/95/20/11/768952011.db2.gz ZAGDVBLNAHXVQV-GFCCVEGCSA-N 1 0 311.389 0.798 50 0 DCAARO CCC[N@@H+]1CCCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1 ZINC001506397440 1017253921 /nfs/dbraw/zinc/25/39/21/1017253921.db2.gz TZHUIUMCKKEZQT-CQSZACIVSA-N 1 0 305.426 0.970 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CN(C)c2cc3nncn3c(N)n2)C1 ZINC001506402075 1017256137 /nfs/dbraw/zinc/25/61/37/1017256137.db2.gz IHPRRADKISUIIQ-NSHDSACASA-N 1 0 305.386 0.111 50 0 DCAARO COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000082115272 192358026 /nfs/dbraw/zinc/35/80/26/192358026.db2.gz SDFXJUNXEKOZSD-HNNXBMFYSA-N 1 0 317.389 0.732 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@](C)(CO)C1CC1 ZINC000151158318 282271530 /nfs/dbraw/zinc/27/15/30/282271530.db2.gz OHBNGYRSODDREY-INIZCTEOSA-N 1 0 308.426 0.816 50 0 DCAARO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NCc1cccnc1 ZINC000095415788 185359076 /nfs/dbraw/zinc/35/90/76/185359076.db2.gz NOLYMACDYMYESE-UHFFFAOYSA-N 1 0 311.389 0.915 50 0 DCAARO C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)CC[NH2+]1 ZINC000155058142 290746563 /nfs/dbraw/zinc/74/65/63/290746563.db2.gz BXHJZKYHZITFDV-JSGCOSHPSA-N 1 0 310.419 0.463 50 0 DCAARO O=S(=O)(c1cccc2nonc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067770074 190720315 /nfs/dbraw/zinc/72/03/15/190720315.db2.gz LNRMUVFNGAUMGJ-AWEZNQCLSA-N 1 0 322.390 0.987 50 0 DCAARO c1c(CN2CCCN(c3ncccn3)CC2)nn2c1C[NH2+]CC2 ZINC000072129045 191042916 /nfs/dbraw/zinc/04/29/16/191042916.db2.gz ITFBPBHFGWXXRT-UHFFFAOYSA-N 1 0 313.409 0.489 50 0 DCAARO CN(C(=O)CNC(N)=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072133932 191046388 /nfs/dbraw/zinc/04/63/88/191046388.db2.gz BEGIFOALRARTCP-OAHLLOKOSA-N 1 0 318.421 0.820 50 0 DCAARO Cc1cc(N2CCC3(C[C@H](C(=O)[O-])[N@H+](C)C3)CC2)nc(N)[nH+]1 ZINC000072147112 191052660 /nfs/dbraw/zinc/05/26/60/191052660.db2.gz OZNVSGPXJNALBQ-LLVKDONJSA-N 1 0 305.382 0.743 50 0 DCAARO COc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCOC2)cc1 ZINC000072150644 191055781 /nfs/dbraw/zinc/05/57/81/191055781.db2.gz MJLJMSRPTHOREA-LLVKDONJSA-N 1 0 300.380 0.210 50 0 DCAARO [NH3+][C@H]1CCCN(c2cncc(C(=O)N3CCOCC3)n2)CC1 ZINC000072164021 191064285 /nfs/dbraw/zinc/06/42/85/191064285.db2.gz OPZWIOHSSYHGED-LBPRGKRZSA-N 1 0 305.382 0.267 50 0 DCAARO Cc1nn(CCNC(=O)C[C@H]2COCC[NH2+]2)c(C)c1Cl ZINC000072164650 191064930 /nfs/dbraw/zinc/06/49/30/191064930.db2.gz VBEULHBJICBKEP-NSHDSACASA-N 1 0 300.790 0.648 50 0 DCAARO CC(C)(C)c1cc(CN2CCO[C@@]3(C2)C[NH2+]CCOC3)[nH]n1 ZINC000072169565 191068166 /nfs/dbraw/zinc/06/81/66/191068166.db2.gz OSEAOTDPKBIHQE-MRXNPFEDSA-N 1 0 308.426 0.898 50 0 DCAARO CCC[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)CC)CC1 ZINC000072314175 191120842 /nfs/dbraw/zinc/12/08/42/191120842.db2.gz HTYOVIFFEMBBNZ-UHFFFAOYSA-N 1 0 305.444 0.259 50 0 DCAARO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000000119043 180698968 /nfs/dbraw/zinc/69/89/68/180698968.db2.gz IXOJUAYLXGBRQX-HNNXBMFYSA-N 1 0 320.389 0.826 50 0 DCAARO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2 ZINC000003812974 181046543 /nfs/dbraw/zinc/04/65/43/181046543.db2.gz VWPOSFSPZNDTMJ-YUELXQCFSA-N 1 0 309.406 0.635 50 0 fda DCAARO COC(=O)c1cc(Br)c(=O)n(CC[NH+](C)C)c1 ZINC000004862856 181165268 /nfs/dbraw/zinc/16/52/68/181165268.db2.gz NLTLULDXISIYJN-UHFFFAOYSA-N 1 0 303.156 0.959 50 0 DCAARO Cc1cc(N2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)cc(C)[nH+]1 ZINC000077388295 191707322 /nfs/dbraw/zinc/70/73/22/191707322.db2.gz AMKCFKFJDUXEFX-AWEZNQCLSA-N 1 0 317.393 0.371 50 0 DCAARO 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/nfs/dbraw/zinc/05/48/25/193054825.db2.gz DSVDVQSJRPIULX-ZIAGYGMSSA-N 1 0 308.378 0.417 50 0 DCAARO Cc1cc(C)n(C2CN(C(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)C2)n1 ZINC000091657280 193085559 /nfs/dbraw/zinc/08/55/59/193085559.db2.gz LPRSMVZFVCAHLN-CYBMUJFWSA-N 1 0 319.409 0.081 50 0 DCAARO CC(C)Cc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)[nH]c(=O)n1 ZINC000091664019 193087309 /nfs/dbraw/zinc/08/73/09/193087309.db2.gz QAASBAIDCQYKCP-OLZOCXBDSA-N 1 0 304.394 0.778 50 0 DCAARO CN(C[C@@H](O)C[N@@H+]1CC[C@@H](CCO)C1)C(=O)OC(C)(C)C ZINC000496829875 241260065 /nfs/dbraw/zinc/26/00/65/241260065.db2.gz BBMFBHBBRYWSRG-QWHCGFSZSA-N 1 0 302.415 0.919 50 0 DCAARO Cc1ncc(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)c(=O)[nH]1 ZINC000219319244 201554016 /nfs/dbraw/zinc/55/40/16/201554016.db2.gz ZPTMVUMSNKMPEC-UHFFFAOYSA-N 1 0 320.393 0.141 50 0 DCAARO NC(=O)NCc1cn(CC2CC[NH+](Cc3ccoc3)CC2)nn1 ZINC000019113958 182105394 /nfs/dbraw/zinc/10/53/94/182105394.db2.gz YPNWDBDIUNPTLV-UHFFFAOYSA-N 1 0 318.381 0.952 50 0 DCAARO CCN(C[C@@H](O)C[NH3+])S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000019685656 182136566 /nfs/dbraw/zinc/13/65/66/182136566.db2.gz KNPIKYQTLGQOOV-JTQLQIEISA-N 1 0 306.815 0.979 50 0 DCAARO CC[NH+]1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000019790829 182148842 /nfs/dbraw/zinc/14/88/42/182148842.db2.gz MWHAVCWXXNMAKZ-CYBMUJFWSA-N 1 0 308.378 0.793 50 0 DCAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCN3CCOCC3)C2=O)cc1 ZINC000019889462 182161030 /nfs/dbraw/zinc/16/10/30/182161030.db2.gz AMXKTDSFPDZZNW-HNNXBMFYSA-N 1 0 317.389 0.549 50 0 DCAARO CN1N=C(C(=O)NCc2ccccc2C[NH+](C)C)CCC1=O ZINC000021938501 182298603 /nfs/dbraw/zinc/29/86/03/182298603.db2.gz KELSGWKTYMOXCD-UHFFFAOYSA-N 1 0 302.378 0.973 50 0 DCAARO CNC(=O)NC(=O)CC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000040493982 183080545 /nfs/dbraw/zinc/08/05/45/183080545.db2.gz SMCYYUHDVAAXJK-UHFFFAOYSA-N 1 0 307.350 0.735 50 0 DCAARO CCc1ccc([C@@H](CNC(=O)Cn2cnnn2)[NH+](C)C)cc1 ZINC000041904242 183224724 /nfs/dbraw/zinc/22/47/24/183224724.db2.gz BVULYHADRGTIKA-CQSZACIVSA-N 1 0 302.382 0.655 50 0 DCAARO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000057406602 184037732 /nfs/dbraw/zinc/03/77/32/184037732.db2.gz AHASSXPGOPJCSU-AWEZNQCLSA-N 1 0 302.378 0.760 50 0 DCAARO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+](CC)CCO)c1 ZINC000058007149 184066739 /nfs/dbraw/zinc/06/67/39/184066739.db2.gz DVXQBSSMANCWIB-AWEZNQCLSA-N 1 0 311.378 0.917 50 0 DCAARO COc1cc(NCCC(=O)N2CC[NH+](C(C)C)CC2)ncn1 ZINC000065384434 184333195 /nfs/dbraw/zinc/33/31/95/184333195.db2.gz BZGQJPPOLCUUIV-UHFFFAOYSA-N 1 0 307.398 0.840 50 0 DCAARO CC(=O)N(CC1=CCC[N@H+](Cc2c[nH]c(=O)[nH]c2=O)C1)C(C)C ZINC000065387777 184333740 /nfs/dbraw/zinc/33/37/40/184333740.db2.gz SVJPSPZVSOOACP-UHFFFAOYSA-N 1 0 320.393 0.452 50 0 DCAARO CC(C)N1C[C@H](O)[C@@H]([NH2+]CC(=O)NCCc2ccc(F)cc2)C1 ZINC000065451733 184346705 /nfs/dbraw/zinc/34/67/05/184346705.db2.gz NJNPOKBILALQKO-HOTGVXAUSA-N 1 0 323.412 0.528 50 0 DCAARO C[NH+](C)CC(=O)N1CCN(C(=O)C=C(C2CC2)C2CC2)CC1 ZINC000065625769 184375407 /nfs/dbraw/zinc/37/54/07/184375407.db2.gz JUJIAWVZXKAXOC-UHFFFAOYSA-N 1 0 305.422 0.965 50 0 DCAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000299738653 532997966 /nfs/dbraw/zinc/99/79/66/532997966.db2.gz DOBIPSVYGDJRLT-UMSGYPCISA-N 1 0 305.444 0.542 50 0 DCAARO Cc1noc(C)c1CN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000237607201 257238520 /nfs/dbraw/zinc/23/85/20/257238520.db2.gz IKCBNMPTYBNXLE-MRXNPFEDSA-N 1 0 306.410 0.935 50 0 DCAARO COc1ccccc1-n1cc(S(=O)(=O)NC2C[NH2+]C2)cn1 ZINC000237110503 257239518 /nfs/dbraw/zinc/23/95/18/257239518.db2.gz YMBHVVSLJXBJLF-UHFFFAOYSA-N 1 0 308.363 0.131 50 0 DCAARO C[N@@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](CCC(=O)[O-])CC2)C1 ZINC000426707269 257243182 /nfs/dbraw/zinc/24/31/82/257243182.db2.gz TZRZKOFBBUPEJA-AWEZNQCLSA-N 1 0 311.426 0.727 50 0 DCAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cnc2cccc(C)n2c1=O ZINC000426477629 257249128 /nfs/dbraw/zinc/24/91/28/257249128.db2.gz BDTHTXNECKOYDE-STQMWFEESA-N 1 0 316.361 0.062 50 0 DCAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)N1CCC(CO)CC1 ZINC000426443388 257250360 /nfs/dbraw/zinc/25/03/60/257250360.db2.gz NSJMRHHDEGNHHC-AWEZNQCLSA-N 1 0 306.410 0.581 50 0 DCAARO CCn1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cn1 ZINC000257366054 257256641 /nfs/dbraw/zinc/25/66/41/257256641.db2.gz HSYBLVFYODAFGQ-DGCLKSJQSA-N 1 0 300.428 0.910 50 0 DCAARO C[NH+](C)CCNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000010220956 395685899 /nfs/dbraw/zinc/68/58/99/395685899.db2.gz ZHABESMVFSNCRV-UHFFFAOYSA-N 1 0 318.377 0.430 50 0 DCAARO COc1ccc(-n2nnc3c2ncnc3N2CC[NH2+]CC2)cc1 ZINC000011920064 395686932 /nfs/dbraw/zinc/68/69/32/395686932.db2.gz REGJMCWHKZYMQU-UHFFFAOYSA-N 1 0 311.349 0.629 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nnnc1CN(C)C(C)C ZINC000012458261 395687805 /nfs/dbraw/zinc/68/78/05/395687805.db2.gz GXUJNDIBUPQDQD-CYBMUJFWSA-N 1 0 323.445 0.114 50 0 DCAARO Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCC(N)=O)ccc12 ZINC000002560990 395681713 /nfs/dbraw/zinc/68/17/13/395681713.db2.gz VEPDWBJBPXVCEN-NSHDSACASA-N 1 0 303.318 0.633 50 0 DCAARO CC[NH+]1CCN(c2ccccc2NC(=O)Cn2cnnn2)CC1 ZINC000007989583 395683902 /nfs/dbraw/zinc/68/39/02/395683902.db2.gz LEBMCMWIKLFRRV-UHFFFAOYSA-N 1 0 315.381 0.454 50 0 DCAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000085468272 395701023 /nfs/dbraw/zinc/70/10/23/395701023.db2.gz KZVVSPWTOQDSLH-ZDUSSCGKSA-N 1 0 315.483 0.827 50 0 DCAARO CCn1cnnc1CNC(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000089310130 395710126 /nfs/dbraw/zinc/71/01/26/395710126.db2.gz HIEIWIAXTTYJPM-CYBMUJFWSA-N 1 0 323.445 0.123 50 0 DCAARO O=S1(=O)C[C@H](O)[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000035380209 395720089 /nfs/dbraw/zinc/72/00/89/395720089.db2.gz FZQXFCKUFDXIGB-PMPSAXMXSA-N 1 0 324.446 0.571 50 0 DCAARO [NH3+]CCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000026423483 395694302 /nfs/dbraw/zinc/69/43/02/395694302.db2.gz LFKRHQQBJHMYEH-UHFFFAOYSA-N 1 0 301.387 0.626 50 0 DCAARO CC(=O)N[C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000028012546 395695695 /nfs/dbraw/zinc/69/56/95/395695695.db2.gz XRKDFMZYIWIQEC-GJZGRUSLSA-N 1 0 313.442 0.620 50 0 DCAARO COCCN(Cc1cnn(C)c1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000096151770 395746625 /nfs/dbraw/zinc/74/66/25/395746625.db2.gz WQXKJAIOPHWFEG-CQSZACIVSA-N 1 0 306.410 0.785 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2cc[nH]c2)C[C@@H](C)O1 ZINC000096454142 395753938 /nfs/dbraw/zinc/75/39/38/395753938.db2.gz VFVIVKGEYUUTHM-VXGBXAGGSA-N 1 0 301.412 0.543 50 0 DCAARO c1nc2c(c(N3CCOCC3)n1)C[N@H+](C[C@@H]1CCOC1)CC2 ZINC000097202024 395756020 /nfs/dbraw/zinc/75/60/20/395756020.db2.gz WMUZRHZCVBEAEB-ZDUSSCGKSA-N 1 0 304.394 0.708 50 0 DCAARO C[C@H](C(=O)N1CCOCC1)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097202684 395756083 /nfs/dbraw/zinc/75/60/83/395756083.db2.gz KUVFOIFHQDGSIJ-CYBMUJFWSA-N 1 0 306.410 0.847 50 0 DCAARO Cc1cnn(C)c1CN1CC[N@@H+](C2CCOCC2)C[C@H](O)C1 ZINC000097334139 395757128 /nfs/dbraw/zinc/75/71/28/395757128.db2.gz HZBIHDIAWVAEMF-OAHLLOKOSA-N 1 0 308.426 0.386 50 0 DCAARO Cc1c(C(=O)NCc2cc3n(n2)CC[NH2+]C3)cnc2ccnn21 ZINC000097619646 395759048 /nfs/dbraw/zinc/75/90/48/395759048.db2.gz LJCZBYFQRGZPTJ-UHFFFAOYSA-N 1 0 311.349 0.267 50 0 DCAARO C[C@H](CNS(=O)(=O)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000097598536 395759196 /nfs/dbraw/zinc/75/91/96/395759196.db2.gz RSDWICRAUKXYMG-GFCCVEGCSA-N 1 0 315.414 0.740 50 0 DCAARO CC(C)OC[C@@H](O)C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000225527594 395861440 /nfs/dbraw/zinc/86/14/40/395861440.db2.gz XMZHCAZEDDWODX-HNNXBMFYSA-N 1 0 311.426 0.841 50 0 DCAARO CCc1cc(NC[C@H](O)C[NH+]2CCCCC2)n2ncnc2n1 ZINC000052131510 395859992 /nfs/dbraw/zinc/85/99/92/395859992.db2.gz DPZWMTXASZIEMR-ZDUSSCGKSA-N 1 0 304.398 0.945 50 0 DCAARO C[C@@H]1CC[C@H](C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000225418696 395860222 /nfs/dbraw/zinc/86/02/22/395860222.db2.gz PIJMCQKDYCQMDI-CVEARBPZSA-N 1 0 309.454 0.899 50 0 DCAARO COc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(F)c1F ZINC000219347552 395845702 /nfs/dbraw/zinc/84/57/02/395845702.db2.gz IXVBVGHOMPLDJE-SNVBAGLBSA-N 1 0 313.348 0.949 50 0 DCAARO O=C(N[C@@H]1CCOC[C@H]1O)C1CC[NH+](C2CCOCC2)CC1 ZINC000220207852 395847733 /nfs/dbraw/zinc/84/77/33/395847733.db2.gz HRQVJCWHSJZOPL-HUUCEWRRSA-N 1 0 312.410 0.143 50 0 DCAARO Cc1nc(CC2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)C3)CC2)no1 ZINC000220598078 395849000 /nfs/dbraw/zinc/84/90/00/395849000.db2.gz YYGDWQLKRMQFDN-CQSZACIVSA-N 1 0 322.409 0.616 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000221795280 395851233 /nfs/dbraw/zinc/85/12/33/395851233.db2.gz CABSESQOTSRDKF-WFASDCNBSA-N 1 0 321.425 0.753 50 0 DCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1c[nH]c(=O)c(Cl)c1 ZINC000222989556 395853691 /nfs/dbraw/zinc/85/36/91/395853691.db2.gz JONLWSAMDUHQMJ-RYUDHWBXSA-N 1 0 311.769 0.621 50 0 DCAARO Cc1cc(C)c(C(=O)NCC2([NH+](C)C)CCOCC2)c(=O)[nH]1 ZINC000223898604 395857070 /nfs/dbraw/zinc/85/70/70/395857070.db2.gz NUBQFWWGSLUSPY-UHFFFAOYSA-N 1 0 307.394 0.832 50 0 DCAARO Cn1cc(CCC(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cn1 ZINC000244787965 395925166 /nfs/dbraw/zinc/92/51/66/395925166.db2.gz QHCDJJLKQQIODD-BFYDXBDKSA-N 1 0 320.437 0.608 50 0 DCAARO CNC(=O)CCC(C)(C)NC(=O)CN(C)Cc1ccncc1 ZINC000244872817 395925637 /nfs/dbraw/zinc/92/56/37/395925637.db2.gz WEUPYLDNAJINPZ-UHFFFAOYSA-N 1 0 306.410 0.934 50 0 DCAARO CC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2N)CC1 ZINC000225715212 395863010 /nfs/dbraw/zinc/86/30/10/395863010.db2.gz IUSJMELWSYNRJN-UHFFFAOYSA-N 1 0 312.439 0.185 50 0 DCAARO Cn1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1=O ZINC000052695809 395868391 /nfs/dbraw/zinc/86/83/91/395868391.db2.gz WEICDEJAXONQHN-ZDUSSCGKSA-N 1 0 313.423 0.147 50 0 DCAARO Cc1cc(C)n(C2CN(C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)C2)n1 ZINC000229559634 395875790 /nfs/dbraw/zinc/87/57/90/395875790.db2.gz WFRDOKNUESYDPS-YQQAZPJKSA-N 1 0 322.453 0.827 50 0 DCAARO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000057406603 395943776 /nfs/dbraw/zinc/94/37/76/395943776.db2.gz AHASSXPGOPJCSU-CQSZACIVSA-N 1 0 302.378 0.760 50 0 DCAARO NC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247372851 395972216 /nfs/dbraw/zinc/97/22/16/395972216.db2.gz FHMUVAJCDGVCMM-LBPRGKRZSA-N 1 0 309.391 0.254 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCOCC1 ZINC000247974282 395980711 /nfs/dbraw/zinc/98/07/11/395980711.db2.gz ZEPJAFJQOOIMOY-FVQBIDKESA-N 1 0 323.437 0.709 50 0 DCAARO COC(=O)C1=NOC2(C1)CC[NH+](CCc1ccnn1C)CC2 ZINC000253430441 396028878 /nfs/dbraw/zinc/02/88/78/396028878.db2.gz LGKYFCVJIOVIKO-UHFFFAOYSA-N 1 0 306.366 0.747 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ncccc1F ZINC000067804852 396033919 /nfs/dbraw/zinc/03/39/19/396033919.db2.gz KSNVUKFDKSLUBW-JQWIXIFHSA-N 1 0 308.357 0.631 50 0 DCAARO CCN1CCN(C(=O)c2nn(CC3CC3)c3c2C[NH2+]CC3)CC1 ZINC000257185616 396034425 /nfs/dbraw/zinc/03/44/25/396034425.db2.gz JRIGESMXFWFIKQ-UHFFFAOYSA-N 1 0 317.437 0.717 50 0 DCAARO COc1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)nc(OC)n1 ZINC000067822138 396034878 /nfs/dbraw/zinc/03/48/78/396034878.db2.gz XLMJVVRJNNGNBX-HNNXBMFYSA-N 1 0 306.366 0.710 50 0 DCAARO CC(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@@]2(c2nc(C)no2)C1 ZINC000257187215 396035192 /nfs/dbraw/zinc/03/51/92/396035192.db2.gz ACTWEHBRXYZDSD-DZGCQCFKSA-N 1 0 308.382 0.182 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1c[nH]nc1C1CCCCC1 ZINC000067846897 396035914 /nfs/dbraw/zinc/03/59/14/396035914.db2.gz LJNNEKPJQOOZAZ-YPMHNXCESA-N 1 0 319.409 0.745 50 0 DCAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(O)(CO)CC1 ZINC000067964898 396040731 /nfs/dbraw/zinc/04/07/31/396040731.db2.gz NRNVOFFLHHFJQP-AWEZNQCLSA-N 1 0 317.389 0.384 50 0 DCAARO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(N2CCCC2=O)cc1 ZINC000261850496 396072534 /nfs/dbraw/zinc/07/25/34/396072534.db2.gz ZVRVAZXEWJCECY-OAHLLOKOSA-N 1 0 317.389 0.808 50 0 DCAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CN1CSCC1=O ZINC000249681099 396011495 /nfs/dbraw/zinc/01/14/95/396011495.db2.gz BHIDCZJPTIGXIO-QWHCGFSZSA-N 1 0 311.451 0.995 50 0 DCAARO C[C@@H]1CC[N@H+](CCCNS(C)(=O)=O)C[C@H]1n1ccnc1 ZINC000252486315 396021026 /nfs/dbraw/zinc/02/10/26/396021026.db2.gz IHGDPHGCUMHUCB-CHWSQXEVSA-N 1 0 300.428 0.705 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000069630448 396085678 /nfs/dbraw/zinc/08/56/78/396085678.db2.gz SWKCUXWNVSHHAD-CQSZACIVSA-N 1 0 305.422 0.887 50 0 DCAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)no1 ZINC000069659322 396086326 /nfs/dbraw/zinc/08/63/26/396086326.db2.gz IEIIRZILASADGQ-KOLCDFICSA-N 1 0 304.354 0.815 50 0 DCAARO COc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000069741016 396089200 /nfs/dbraw/zinc/08/92/00/396089200.db2.gz KNHYNKPXDLPYTA-CHWSQXEVSA-N 1 0 318.377 0.631 50 0 DCAARO O=S(=O)(CC[NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000069745041 396089307 /nfs/dbraw/zinc/08/93/07/396089307.db2.gz CPWBRFLQKJHUMI-GFCCVEGCSA-N 1 0 306.391 0.656 50 0 DCAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000069810315 396091184 /nfs/dbraw/zinc/09/11/84/396091184.db2.gz IVUPHMJIGQIGRA-HZSPNIEDSA-N 1 0 319.409 0.353 50 0 DCAARO CC[C@H]1CN(CC(=O)NCc2ccccn2)CC[N@@H+]1CCOC ZINC000069842252 396092075 /nfs/dbraw/zinc/09/20/75/396092075.db2.gz UGEJHJYQTDEJGM-INIZCTEOSA-N 1 0 320.437 0.740 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)NCc1nncn1-c1ccccc1 ZINC000262040012 396092599 /nfs/dbraw/zinc/09/25/99/396092599.db2.gz GCVJLRYWJYYQLI-LBPRGKRZSA-N 1 0 301.350 0.262 50 0 DCAARO CN(Cc1ccsc1)C(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000069972435 396097337 /nfs/dbraw/zinc/09/73/37/396097337.db2.gz PYDBPZGNEGOHLO-AWEZNQCLSA-N 1 0 311.451 0.969 50 0 DCAARO Cn1cc([C@@H]2CCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000071797216 396115527 /nfs/dbraw/zinc/11/55/27/396115527.db2.gz SUPORJYWXMSUNO-LBPRGKRZSA-N 1 0 305.382 0.887 50 0 DCAARO CC[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CC(=O)NC ZINC000071818879 396116345 /nfs/dbraw/zinc/11/63/45/396116345.db2.gz HCIPUHPYRFMXFP-UHFFFAOYSA-N 1 0 307.350 0.812 50 0 DCAARO COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000071812674 396116388 /nfs/dbraw/zinc/11/63/88/396116388.db2.gz KBCIGGVNTRDWIF-CYBMUJFWSA-N 1 0 305.378 0.256 50 0 DCAARO CC[C@@H]1CN(Cc2nnc(C3CC3)n2C)CC[N@@H+]1C[C@@H](C)O ZINC000071864701 396119898 /nfs/dbraw/zinc/11/98/98/396119898.db2.gz MQHLPVFJGXJCBB-TZMCWYRMSA-N 1 0 307.442 0.970 50 0 DCAARO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)Cc2ccco2)C[C@H]1C ZINC000071877533 396121185 /nfs/dbraw/zinc/12/11/85/396121185.db2.gz FUTGUFYFYRNJHP-ZIAGYGMSSA-N 1 0 309.410 0.625 50 0 DCAARO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000071885896 396123337 /nfs/dbraw/zinc/12/33/37/396123337.db2.gz MOPJZARDORURJV-NSHDSACASA-N 1 0 321.443 0.223 50 0 DCAARO CCc1nc2ccccc2n1CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262327696 396124758 /nfs/dbraw/zinc/12/47/58/396124758.db2.gz RXUQMAOERINTAX-SMDDNHRTSA-N 1 0 302.378 0.295 50 0 DCAARO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cncn2)C[C@@H](C)O1 ZINC000069490231 396080371 /nfs/dbraw/zinc/08/03/71/396080371.db2.gz XIIDOIAPWHAMKG-FPCVCCKLSA-N 1 0 323.441 0.213 50 0 DCAARO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cncn2)C[C@H](C)O1 ZINC000069490228 396080478 /nfs/dbraw/zinc/08/04/78/396080478.db2.gz XIIDOIAPWHAMKG-QXSJWSMHSA-N 1 0 323.441 0.213 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)n1 ZINC000069521342 396081863 /nfs/dbraw/zinc/08/18/63/396081863.db2.gz GVDBLGYOFHHGLO-GJZGRUSLSA-N 1 0 304.398 0.617 50 0 DCAARO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)N1CCc2ccccc21 ZINC000069528612 396081961 /nfs/dbraw/zinc/08/19/61/396081961.db2.gz ZEINOANURFEAEM-HIFRSBDPSA-N 1 0 303.406 0.884 50 0 DCAARO CCc1nc2n(n1)C[C@@H]([NH2+]CC(=O)Nc1cc(C)on1)CC2 ZINC000069620863 396084893 /nfs/dbraw/zinc/08/48/93/396084893.db2.gz AXCSFNJNNSLXCX-JTQLQIEISA-N 1 0 304.354 0.680 50 0 DCAARO Cn1c(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)nc2c1cccc2F ZINC000262521365 396150068 /nfs/dbraw/zinc/15/00/68/396150068.db2.gz NVMRFXQDPOYGJR-MWLCHTKSSA-N 1 0 306.341 0.094 50 0 DCAARO Cc1cc(C)n(CC[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)n1 ZINC000076059126 396195010 /nfs/dbraw/zinc/19/50/10/396195010.db2.gz CAJANTPIEWSKSO-XJKSGUPXSA-N 1 0 319.409 0.810 50 0 DCAARO CCn1nc(C)c(S(=O)(=O)N[C@@H]2C[N@H+](C)C[C@@H]2C)c1C ZINC000076058221 396195180 /nfs/dbraw/zinc/19/51/80/396195180.db2.gz ZJCVWROAHABVOS-JOYOIKCWSA-N 1 0 300.428 0.748 50 0 DCAARO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3C[N@@H+](C)C[C@@H]3C)cc12 ZINC000076058296 396195225 /nfs/dbraw/zinc/19/52/25/396195225.db2.gz HFKPYLKSIKNOMF-ZANVPECISA-N 1 0 323.422 0.505 50 0 DCAARO C[C@@H](Cn1cncn1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000076092578 396196713 /nfs/dbraw/zinc/19/67/13/396196713.db2.gz CZNIWFIEODTJID-AWEZNQCLSA-N 1 0 321.425 0.818 50 0 DCAARO Cc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000078788588 396254582 /nfs/dbraw/zinc/25/45/82/396254582.db2.gz MNOAHQQMJCDZOZ-HZPDHXFCSA-N 1 0 303.406 0.990 50 0 DCAARO CC(C)N1CCC[C@H]([N@@H+]2CCCN(CC(=O)N(C)C)CC2)C1=O ZINC000079014039 396260059 /nfs/dbraw/zinc/26/00/59/396260059.db2.gz COKIHKVDFGTLAO-HNNXBMFYSA-N 1 0 324.469 0.482 50 0 DCAARO CC(C)N1CCC[C@@H]([N@@H+]2CCCN(CC(=O)N(C)C)CC2)C1=O ZINC000079014044 396260193 /nfs/dbraw/zinc/26/01/93/396260193.db2.gz COKIHKVDFGTLAO-OAHLLOKOSA-N 1 0 324.469 0.482 50 0 DCAARO COc1coc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1=O ZINC000282277871 396277057 /nfs/dbraw/zinc/27/70/57/396277057.db2.gz JYAWLXNPXVGCRW-LBPRGKRZSA-N 1 0 324.377 0.879 50 0 DCAARO C[NH2+]C[C@@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000178998042 396217887 /nfs/dbraw/zinc/21/78/87/396217887.db2.gz PBVXTRYIJYJHTA-ZDUSSCGKSA-N 1 0 314.389 0.855 50 0 DCAARO O=C(c1ccccn1)N1CCC([N@@H+]2CCOC[C@H](O)C2)CC1 ZINC000077340680 396219270 /nfs/dbraw/zinc/21/92/70/396219270.db2.gz QGTPLZFBCCSTTE-CQSZACIVSA-N 1 0 305.378 0.379 50 0 DCAARO O[C@]1(CNCCc2noc(-c3ccccc3)n2)C[NH2+]CCOC1 ZINC000077485852 396224034 /nfs/dbraw/zinc/22/40/34/396224034.db2.gz IVTYYEUAPRFNAA-MRXNPFEDSA-N 1 0 318.377 0.220 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCCN(Cc2cccnc2)CC1 ZINC000082092499 396310734 /nfs/dbraw/zinc/31/07/34/396310734.db2.gz RUEHJOQVOZSNFI-MRXNPFEDSA-N 1 0 318.421 0.494 50 0 DCAARO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1ccnn1C ZINC000186658548 396354599 /nfs/dbraw/zinc/35/45/99/396354599.db2.gz VGHKIHZOWRYJJI-CYBMUJFWSA-N 1 0 323.441 0.449 50 0 DCAARO CCS(=O)(=O)NC[C@H](C)[NH2+]CCc1nc(C2CC2)no1 ZINC000584893182 396635058 /nfs/dbraw/zinc/63/50/58/396635058.db2.gz WEVLUKMTCWYMBJ-VIFPVBQESA-N 1 0 302.400 0.407 50 0 DCAARO COCC[N@@H+]1CCC[C@H](Cn2cnc3nccnc3c2=O)C1 ZINC000584902254 396637216 /nfs/dbraw/zinc/63/72/16/396637216.db2.gz UWEHUXVILGBGLL-LBPRGKRZSA-N 1 0 303.366 0.545 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C)CC1 ZINC000299754175 396714460 /nfs/dbraw/zinc/71/44/60/396714460.db2.gz KIIALSPDIRDJSJ-USXIJHARSA-N 1 0 309.454 0.897 50 0 DCAARO O=C1C[C@H]([NH2+][C@H]2CCCOCC2)CN1CCN1CCOCC1 ZINC000329137411 396840070 /nfs/dbraw/zinc/84/00/70/396840070.db2.gz DGZCHSBGMIXNAM-GJZGRUSLSA-N 1 0 311.426 0.078 50 0 DCAARO COc1ccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1F ZINC000630095418 396939860 /nfs/dbraw/zinc/93/98/60/396939860.db2.gz KGQVLHWFAFUWOJ-LLVKDONJSA-N 1 0 318.370 0.242 50 0 DCAARO CN1CC(=O)N(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000049074966 158009687 /nfs/dbraw/zinc/00/96/87/158009687.db2.gz KWLAYTJQYGBHQM-UHFFFAOYSA-N 1 0 322.409 0.215 50 0 DCAARO C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000247024350 298459885 /nfs/dbraw/zinc/45/98/85/298459885.db2.gz ZNOGTDSTDOJKAD-XQHKEYJVSA-N 1 0 302.440 0.847 50 0 DCAARO C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)C(=O)NC(N)=O ZINC000028889875 415178151 /nfs/dbraw/zinc/17/81/51/415178151.db2.gz BNUBLJZRRBWIGZ-NSHDSACASA-N 1 0 301.350 0.604 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2=NN(C)C(=O)CC2)C1 ZINC000044893834 415227796 /nfs/dbraw/zinc/22/77/96/415227796.db2.gz CHIQDFRSEANCEG-GFCCVEGCSA-N 1 0 310.398 0.068 50 0 DCAARO CC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000048251813 415288673 /nfs/dbraw/zinc/28/86/73/415288673.db2.gz GCUAZXRACWVUCX-AWEZNQCLSA-N 1 0 318.425 0.650 50 0 DCAARO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067361649 415375555 /nfs/dbraw/zinc/37/55/55/415375555.db2.gz LVJNCIZYMBJUOO-OAHLLOKOSA-N 1 0 314.393 0.702 50 0 DCAARO C[NH+](C)CCN1C[C@H](C(=O)NCCc2cccnc2)CCC1=O ZINC000067649786 415380086 /nfs/dbraw/zinc/38/00/86/415380086.db2.gz FWLJWAIPQMZJRJ-OAHLLOKOSA-N 1 0 318.421 0.541 50 0 DCAARO O=C(CO)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082115890 415489255 /nfs/dbraw/zinc/48/92/55/415489255.db2.gz SPEOGDXRDNWPOU-AWEZNQCLSA-N 1 0 323.437 0.304 50 0 DCAARO CN1CCO[C@@H](C[NH2+]CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000075133331 415438027 /nfs/dbraw/zinc/43/80/27/415438027.db2.gz PQIGXHAUOGJNSE-HNNXBMFYSA-N 1 0 316.405 0.543 50 0 DCAARO Cc1nnnn1CCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000077485835 415462945 /nfs/dbraw/zinc/46/29/45/415462945.db2.gz YGIHRJZENQPVHL-OAHLLOKOSA-N 1 0 308.430 0.558 50 0 DCAARO O=C1[C@H]([N@@H+]2CCCC[C@@H]2CN2CCOCC2)CCN1C1CC1 ZINC000089819038 415522269 /nfs/dbraw/zinc/52/22/69/415522269.db2.gz DWJQRYZIJWZERD-HZPDHXFCSA-N 1 0 307.438 0.936 50 0 DCAARO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccccn2)CC1 ZINC000097104233 415581300 /nfs/dbraw/zinc/58/13/00/415581300.db2.gz DFYLEXDDWFYGFJ-CYBMUJFWSA-N 1 0 312.439 0.386 50 0 DCAARO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000097084462 415582545 /nfs/dbraw/zinc/58/25/45/415582545.db2.gz SCCPGHDSNBTMEL-SWLSCSKDSA-N 1 0 319.380 0.789 50 0 DCAARO CNc1ncc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cn1 ZINC000097785060 415590589 /nfs/dbraw/zinc/59/05/89/415590589.db2.gz HYENCUFGLCKCQR-CYBMUJFWSA-N 1 0 307.398 0.701 50 0 DCAARO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCN1c1nccs1 ZINC000107579080 415666555 /nfs/dbraw/zinc/66/65/55/415666555.db2.gz RYNPKSKGADQNJQ-CHWSQXEVSA-N 1 0 307.423 0.911 50 0 DCAARO CC(C)CNC(=O)CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000252506376 416334599 /nfs/dbraw/zinc/33/45/99/416334599.db2.gz RLDUZGOSCXSALO-ZNMIVQPWSA-N 1 0 322.453 0.884 50 0 DCAARO CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000241401138 416329902 /nfs/dbraw/zinc/32/99/02/416329902.db2.gz NBLFXQPBUVNTGB-DOMZBBRYSA-N 1 0 308.378 0.775 50 0 DCAARO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000241738538 416330318 /nfs/dbraw/zinc/33/03/18/416330318.db2.gz QYJAOJYZANTWEG-JHJVBQTASA-N 1 0 308.444 0.222 50 0 DCAARO CCN(Cc1cnn(CC)c1)C(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000243893562 416330378 /nfs/dbraw/zinc/33/03/78/416330378.db2.gz ASECZTRMCFDYRJ-HNNXBMFYSA-N 1 0 307.442 0.887 50 0 DCAARO Nc1nc(CNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)cs1 ZINC000426674075 416778507 /nfs/dbraw/zinc/77/85/07/416778507.db2.gz BZHFXFULZICKSR-JTQLQIEISA-N 1 0 320.422 0.705 50 0 DCAARO Cc1nnc(CN(C)CC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])n1C ZINC000429159832 416950950 /nfs/dbraw/zinc/95/09/50/416950950.db2.gz RPFAUGLAEOCWPD-DGCLKSJQSA-N 1 0 308.430 0.141 50 0 DCAARO COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1C ZINC000647886094 418069422 /nfs/dbraw/zinc/06/94/22/418069422.db2.gz BPXDXBWQYXPGOP-STQMWFEESA-N 1 0 314.407 0.299 50 0 DCAARO CCc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)s1 ZINC000647886372 418071274 /nfs/dbraw/zinc/07/12/74/418071274.db2.gz OVKRZXWJYYUDLN-QWRGUYRKSA-N 1 0 304.437 0.606 50 0 DCAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2cnc[nH]2)CC1 ZINC000012300930 277115087 /nfs/dbraw/zinc/11/50/87/277115087.db2.gz DJNOQWRJHQEIOS-UHFFFAOYSA-N 1 0 300.366 0.487 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(S(N)(=O)=O)c(C)o1 ZINC000237123690 277278023 /nfs/dbraw/zinc/27/80/23/277278023.db2.gz SIKNMHVDMJAYFY-VIFPVBQESA-N 1 0 301.368 0.059 50 0 DCAARO CC[C@H]([NH2+][C@H]1CCN(S(=O)(=O)C(C)C)C[C@H]1C)C(N)=O ZINC000241965627 288090372 /nfs/dbraw/zinc/09/03/72/288090372.db2.gz UUMUJHAJBSECHI-WOPDTQHZSA-N 1 0 305.444 0.289 50 0 DCAARO Cn1cc([C@]2(C)CN(C(=O)C[NH2+]C[C@H]3CCCO3)CCO2)cn1 ZINC000237713124 279351140 /nfs/dbraw/zinc/35/11/40/279351140.db2.gz OPRBYKXPJXHELP-ZBFHGGJFSA-N 1 0 322.409 0.263 50 0 DCAARO C[NH+](C)C1CN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C1 ZINC000241338699 289070929 /nfs/dbraw/zinc/07/09/29/289070929.db2.gz MDBQERPSPUQYSY-HUUCEWRRSA-N 1 0 321.421 0.200 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)NCC(F)(F)F)C[C@@H]1C ZINC000229527720 290116010 /nfs/dbraw/zinc/11/60/10/290116010.db2.gz ZLIBFPUUMJCMMN-DCAQKATOSA-N 1 0 311.348 0.440 50 0 DCAARO NC(=S)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000019362670 295200113 /nfs/dbraw/zinc/20/01/13/295200113.db2.gz PXQXNAPPHFOWAW-CXOJTPOUSA-N 1 0 302.447 0.387 50 0 DCAARO O=C(C1CC[NH2+]CC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000016026482 303560554 /nfs/dbraw/zinc/56/05/54/303560554.db2.gz VIVZVNQFGWIOBQ-GXTWGEPZSA-N 1 0 301.390 0.794 50 0 DCAARO CCn1nc(CO)c2c1CCN(C(=O)NCC[C@H](C)[NH+](C)C)C2 ZINC000534646460 334306210 /nfs/dbraw/zinc/30/62/10/334306210.db2.gz XGGCFLQYNSYABJ-LBPRGKRZSA-N 1 0 323.441 0.803 50 0 DCAARO CN(CC[NH+]1CCCCCC1)C(=O)NCCc1nncn1C ZINC000534640875 334311063 /nfs/dbraw/zinc/31/10/63/334311063.db2.gz FDFKOWZWYVYLCX-UHFFFAOYSA-N 1 0 308.430 0.875 50 0 DCAARO CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H]2[NH2+]CCO[C@H]2C1 ZINC000534656887 334314527 /nfs/dbraw/zinc/31/45/27/334314527.db2.gz FMEJZROZFKNEQP-ZFWWWQNUSA-N 1 0 306.410 0.914 50 0 DCAARO O=C(NCCOc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299749320 534380234 /nfs/dbraw/zinc/38/02/34/534380234.db2.gz JXWZQKCAMNFRKV-JQWIXIFHSA-N 1 0 318.295 0.923 50 0 DCAARO O=C(CCCn1cncn1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000084618657 545702964 /nfs/dbraw/zinc/70/29/64/545702964.db2.gz AXVGLTPNHJIJKU-ZIAGYGMSSA-N 1 0 307.398 0.116 50 0 DCAARO CC1(C)C[C@H](C[NH+]2CCN(C(=O)c3nc[nH]n3)CC2)CCO1 ZINC000215869364 545938920 /nfs/dbraw/zinc/93/89/20/545938920.db2.gz MAMCUPZPOCTTMR-GFCCVEGCSA-N 1 0 307.398 0.768 50 0 DCAARO CN(CCN1CCCCC1=O)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000222758131 545942859 /nfs/dbraw/zinc/94/28/59/545942859.db2.gz BHLPIXADQWVTQN-UHFFFAOYSA-N 1 0 318.425 0.712 50 0 DCAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CCC3(CCC(=O)N3)CC2)C1 ZINC000670458647 547097426 /nfs/dbraw/zinc/09/74/26/547097426.db2.gz YEGLFGCBCLBLSE-CQSZACIVSA-N 1 0 323.437 0.757 50 0 DCAARO CCOC(=O)CCS(=O)(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000685944895 548749112 /nfs/dbraw/zinc/74/91/12/548749112.db2.gz GVPIDXFKMVQZML-NWDGAFQWSA-N 1 0 318.439 0.732 50 0 DCAARO COC(=O)CS(=O)(=O)N1CCC(C[NH3+])(C(F)(F)F)CC1 ZINC000725264718 548750377 /nfs/dbraw/zinc/75/03/77/548750377.db2.gz MQZNWKOCNGJLBI-UHFFFAOYSA-N 1 0 318.317 0.092 50 0 DCAARO CN(C)C(=O)[C@@](C)(NC[C@H](O)C[N@H+](C)C1CC1)C(F)(F)F ZINC000888095773 661168756 /nfs/dbraw/zinc/16/87/56/661168756.db2.gz WAMDSSRYLYBZHT-CMPLNLGQSA-N 1 0 311.348 0.440 50 0 DCAARO O=C(NCCO)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014754249 658264439 /nfs/dbraw/zinc/26/44/39/658264439.db2.gz LAEKBOQMHMKYMG-XJKSGUPXSA-N 1 0 318.417 0.888 50 0 DCAARO Cn1c(=O)cc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c1=O ZINC000096014229 661327620 /nfs/dbraw/zinc/32/76/20/661327620.db2.gz VSJGWNMSQFLIHA-UHFFFAOYSA-N 1 0 300.362 0.396 50 0 DCAARO CCC(=O)NCc1cc2n(n1)CC[N@H+](CCc1nccn1C)C2 ZINC000426510582 661606497 /nfs/dbraw/zinc/60/64/97/661606497.db2.gz DOEQXPQFQLYJKK-UHFFFAOYSA-N 1 0 316.409 0.701 50 0 DCAARO C[NH+](C)C[C@H]1COCCN(C(=O)NCc2csc(N)n2)C1 ZINC000426512167 661606644 /nfs/dbraw/zinc/60/66/44/661606644.db2.gz MZOZWLIKEGGAND-SNVBAGLBSA-N 1 0 313.427 0.275 50 0 DCAARO O=C(NC[C@H](O)c1ccc(F)cc1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000864092683 667214261 /nfs/dbraw/zinc/21/42/61/667214261.db2.gz TZYBILLPFLYXQZ-AWEZNQCLSA-N 1 0 321.352 0.874 50 0 DCAARO CN(Cc1[nH]nc2c1CCCCC2)C[C@@]1(O)C[NH2+]CCOC1 ZINC000077407556 670402674 /nfs/dbraw/zinc/40/26/74/670402674.db2.gz QSQOVMOTCOUQGH-INIZCTEOSA-N 1 0 308.426 0.461 50 0 DCAARO CCCn1ncnc1[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952967247 685599356 /nfs/dbraw/zinc/59/93/56/685599356.db2.gz IWXOYZWLTPVCNG-NWDGAFQWSA-N 1 0 322.413 0.063 50 0 DCAARO Cn1cc(C[NH+]2CCC(CNC(=O)[C@H]3CCOC3)CC2)cn1 ZINC000952975219 685599810 /nfs/dbraw/zinc/59/98/10/685599810.db2.gz HYELHQZRIFEDGS-HNNXBMFYSA-N 1 0 306.410 0.785 50 0 DCAARO COCC[N@@H+]1CC[C@H](CN(C)S(=O)(=O)N(C)C(C)C)C1 ZINC000952986471 685602035 /nfs/dbraw/zinc/60/20/35/685602035.db2.gz YGZLNBDJOLZCGA-CYBMUJFWSA-N 1 0 307.460 0.472 50 0 DCAARO CN1C(=O)[C@H]2CN(C(=O)C3([NH+]4CCCC4)CCCC3)C[C@H]2C1=O ZINC000952990688 685602999 /nfs/dbraw/zinc/60/29/99/685602999.db2.gz WDKQWQHOJWSOEV-BETUJISGSA-N 1 0 319.405 0.468 50 0 DCAARO N#Cc1ccc(N[C@H]2C[N@@H+](C(CO)CO)C[C@@H]2C2CC2)nc1 ZINC000091563379 685105106 /nfs/dbraw/zinc/10/51/06/685105106.db2.gz DSZKIFFDTJWUOY-CABCVRRESA-N 1 0 302.378 0.429 50 0 DCAARO CC(C)(C)OC(=O)C[C@@H](NC(=O)C[NH3+])C(=O)OC(C)(C)C ZINC001772572641 1157686022 /nfs/dbraw/zinc/68/60/22/1157686022.db2.gz GEWHLHJJCSGCNU-SECBINFHSA-N 1 0 302.371 0.503 50 0 DCAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC[NH+](CCC(=O)[O-])CC1 ZINC001772710574 1157847513 /nfs/dbraw/zinc/84/75/13/1157847513.db2.gz BVCPVXFHXGSNCX-AWEZNQCLSA-N 1 0 311.426 0.870 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1ccc(O)c(F)c1)C2 ZINC001704304105 1179966680 /nfs/dbraw/zinc/96/66/80/1179966680.db2.gz APRFAUJSXHNQJE-STQMWFEESA-N 1 0 308.353 0.863 50 0 DCAARO C[N@@H+]1C[C@H]2COC[C@@H]1CN(C(=O)Cn1nc3ccccc3n1)C2 ZINC001704307893 1179967588 /nfs/dbraw/zinc/96/75/88/1179967588.db2.gz LVUKJTCBMBJCNG-OLZOCXBDSA-N 1 0 315.377 0.220 50 0 DCAARO CCOc1ncccc1C(=O)N1C[C@H]2COC[C@@H]1C[N@H+](C)C2 ZINC001704326314 1179973404 /nfs/dbraw/zinc/97/34/04/1179973404.db2.gz UQJJYXRODZKJTO-STQMWFEESA-N 1 0 305.378 0.883 50 0 DCAARO C[C@]1(O)CC2(CC[NH+](Cc3cnc(N)s3)CC2)OC[C@@H]1O ZINC001704325553 1179973675 /nfs/dbraw/zinc/97/36/75/1179973675.db2.gz PPLGDPLDWJOFFU-AAEUAGOBSA-N 1 0 313.423 0.592 50 0 DCAARO O=C(CCCn1cncn1)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC001704350406 1179983532 /nfs/dbraw/zinc/98/35/32/1179983532.db2.gz IVNHCBDXYMHUHL-KBPBESRZSA-N 1 0 307.398 0.428 50 0 DCAARO O=C(COc1ccccc1)N1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000581800960 747694028 /nfs/dbraw/zinc/69/40/28/747694028.db2.gz RACNSMFZBSXMGC-AWEZNQCLSA-N 1 0 304.390 0.886 50 0 DCAARO COC[C@H]1CCCN1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000824370920 758770445 /nfs/dbraw/zinc/77/04/45/758770445.db2.gz BGUSQOYFMBBKKK-CQSZACIVSA-N 1 0 319.471 0.616 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](c2nc(CC(N)=O)nn2C(C)(C)C)C1 ZINC000824413123 758773116 /nfs/dbraw/zinc/77/31/16/758773116.db2.gz DLINTVFFSCNHQG-GFCCVEGCSA-N 1 0 323.441 0.887 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CNS(=O)(=O)N2CCC(C)CC2)C1 ZINC000824412342 758773235 /nfs/dbraw/zinc/77/32/35/758773235.db2.gz GSMSMIFGNPQYOJ-AWEZNQCLSA-N 1 0 319.471 0.521 50 0 DCAARO O=C(Cn1cnnn1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000827864132 758890675 /nfs/dbraw/zinc/89/06/75/758890675.db2.gz ATWBBNVOYVTVGC-UHFFFAOYSA-N 1 0 320.422 0.763 50 0 DCAARO O=c1c2ncccc2ncn1CCC[N@H+]1CCC[C@H](CO)C1 ZINC000828711299 759074515 /nfs/dbraw/zinc/07/45/15/759074515.db2.gz YYURXXKPSXHXCJ-ZDUSSCGKSA-N 1 0 302.378 0.886 50 0 DCAARO C[C@@H](Cc1ccccn1)[NH+]1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000200513841 761728026 /nfs/dbraw/zinc/72/80/26/761728026.db2.gz XWOPPZOCLLSYJY-AWEZNQCLSA-N 1 0 313.405 0.929 50 0 DCAARO CN(C)C(=O)OCCN1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000585080557 766267796 /nfs/dbraw/zinc/26/77/96/766267796.db2.gz WHSDHWHROGRIFV-UHFFFAOYSA-N 1 0 319.427 0.185 50 0 DCAARO Cn1ncc2c1nc(NCC[N@@H+]1CCCC[C@H]1CO)nc2N ZINC001529117871 1014498637 /nfs/dbraw/zinc/49/86/37/1014498637.db2.gz BWYCVPSKKMMYQK-JTQLQIEISA-N 1 0 305.386 0.204 50 0 DCAARO Cc1cc(C(N)=O)c(N2CCC[C@@](CO)(C[NH+](C)C)C2)nc1C ZINC001529153139 1014509655 /nfs/dbraw/zinc/50/96/55/1014509655.db2.gz QVRQICOJBOXJFK-QGZVFWFLSA-N 1 0 320.437 0.938 50 0 DCAARO C[NH+](C)CCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095475517 185373275 /nfs/dbraw/zinc/37/32/75/185373275.db2.gz FXCWSWILZCBIJY-LLVKDONJSA-N 1 0 315.377 0.594 50 0 DCAARO CN(C[C@@H](O)CN1CC[NH+](C)CC1)C(=O)Nc1ccccc1F ZINC000078871521 185121348 /nfs/dbraw/zinc/12/13/48/185121348.db2.gz CJZSYTSABKEZQT-CYBMUJFWSA-N 1 0 324.400 0.898 50 0 DCAARO CC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000089977175 185272985 /nfs/dbraw/zinc/27/29/85/185272985.db2.gz BAIHMVBMEPJJSR-VXGBXAGGSA-N 1 0 303.428 0.157 50 0 DCAARO CC(=O)NCc1ccc(N2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)nc1 ZINC000095392034 185351857 /nfs/dbraw/zinc/35/18/57/185351857.db2.gz YQLIVTBVNVMETO-HOCLYGCPSA-N 1 0 304.394 0.268 50 0 DCAARO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCNS(=O)(=O)c1ccccc1 ZINC000095454177 185369907 /nfs/dbraw/zinc/36/99/07/185369907.db2.gz YNGKKOOEXYJVJC-ZIAGYGMSSA-N 1 0 311.451 0.989 50 0 DCAARO CN1CCN(C(=O)CC[NH+]2CCN(c3nccs3)CC2)CC1 ZINC000328595762 530067099 /nfs/dbraw/zinc/06/70/99/530067099.db2.gz DSUHGFPELLSZHZ-UHFFFAOYSA-N 1 0 323.466 0.429 50 0 DCAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cccn2C)CC1)C(=O)N(C)C ZINC000071746876 191020362 /nfs/dbraw/zinc/02/03/62/191020362.db2.gz MMNSDGZUYLKHHC-CYBMUJFWSA-N 1 0 320.437 0.830 50 0 DCAARO O=C(CO)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072129177 191042580 /nfs/dbraw/zinc/04/25/80/191042580.db2.gz QEVGKBJXRXRNFE-MRXNPFEDSA-N 1 0 303.406 0.792 50 0 DCAARO [NH3+][C@@H]1CCCN(c2cncc(C(=O)N3CCOCC3)n2)CC1 ZINC000072164022 191063266 /nfs/dbraw/zinc/06/32/66/191063266.db2.gz OPZWIOHSSYHGED-GFCCVEGCSA-N 1 0 305.382 0.267 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)NCCc1noc(-c2ccccc2)n1 ZINC000072163533 191064133 /nfs/dbraw/zinc/06/41/33/191064133.db2.gz HVZYZTRZUSOSFU-ZDUSSCGKSA-N 1 0 316.361 0.774 50 0 DCAARO Cc1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[C@H]2[NH3+])ccc1F ZINC000072170263 191068210 /nfs/dbraw/zinc/06/82/10/191068210.db2.gz LOKVARUSGYHMQX-NEPJUHHUSA-N 1 0 315.370 0.018 50 0 DCAARO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)s1 ZINC000072272671 191094929 /nfs/dbraw/zinc/09/49/29/191094929.db2.gz KNHSBIIGCVQKHU-QMMMGPOBSA-N 1 0 306.409 0.763 50 0 DCAARO CCCc1cc(N2CCO[C@H](C[NH+](C)C)C2)n2ncnc2n1 ZINC000072276585 191098682 /nfs/dbraw/zinc/09/86/82/191098682.db2.gz JFGACDCFUAQWGO-CYBMUJFWSA-N 1 0 304.398 0.844 50 0 DCAARO Cn1nc2c(cc1=O)C[N@@H+](CCC(=O)N1CCCCC1)CC2 ZINC000072302326 191114998 /nfs/dbraw/zinc/11/49/98/191114998.db2.gz YRUDZFYPOHOOKP-UHFFFAOYSA-N 1 0 304.394 0.541 50 0 DCAARO Cn1cccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)c1=O ZINC000072314615 191120700 /nfs/dbraw/zinc/12/07/00/191120700.db2.gz MLGJRPCOEZWKQT-UHFFFAOYSA-N 1 0 320.393 0.314 50 0 DCAARO C[NH+](C)C[C@]1(O)CCN(c2nc3c(cc2C(N)=O)CCC3)C1 ZINC000072422656 191158231 /nfs/dbraw/zinc/15/82/31/191158231.db2.gz CKZGZMVEWHJLKZ-MRXNPFEDSA-N 1 0 304.394 0.172 50 0 DCAARO [NH3+][C@@H]1CC[C@H](C(=O)NCCc2nnc(-c3cccnc3)[nH]2)C1 ZINC000072424160 191159402 /nfs/dbraw/zinc/15/94/02/191159402.db2.gz WZPPTCKXQMZGBX-CMPLNLGQSA-N 1 0 300.366 0.653 50 0 DCAARO Cc1nc(-n2cccn2)cc(N2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000072477988 191179075 /nfs/dbraw/zinc/17/90/75/191179075.db2.gz FBXBIXXDJXRDJJ-INIZCTEOSA-N 1 0 316.409 0.864 50 0 DCAARO COCC[C@H]1CN(c2nc(C)nc3c2CC[NH2+]CC3)CCO1 ZINC000072480441 191180521 /nfs/dbraw/zinc/18/05/21/191180521.db2.gz QCRUDYUADLUVBR-ZDUSSCGKSA-N 1 0 306.410 0.715 50 0 DCAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000000220603 180730542 /nfs/dbraw/zinc/73/05/42/180730542.db2.gz BWOSNNIRNSPRSG-CYBMUJFWSA-N 1 0 317.455 0.260 50 0 DCAARO CC(C)[NH2+]C[C@H](O)C(=O)N[C@@H](C)[C@@H]1COc2ccccc2O1 ZINC000004024390 181063445 /nfs/dbraw/zinc/06/34/45/181063445.db2.gz NOLYDRWVAQOLDK-HUBLWGQQSA-N 1 0 308.378 0.690 50 0 biogenic DCAARO [NH3+][C@H]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000178329960 198850516 /nfs/dbraw/zinc/85/05/16/198850516.db2.gz ORRCIEUCIQYPHD-QMMMGPOBSA-N 1 0 300.156 0.701 50 0 DCAARO C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237432401 202263282 /nfs/dbraw/zinc/26/32/82/202263282.db2.gz BLWLVBYDOOKRBD-ZYHUDNBSSA-N 1 0 314.382 0.795 50 0 DCAARO Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@@H](O)CO3)CC2)c1 ZINC000091319881 193039014 /nfs/dbraw/zinc/03/90/14/193039014.db2.gz ODZHDTGKYDOJBI-MRXNPFEDSA-N 1 0 319.405 0.642 50 0 DCAARO COCCc1noc(CN2CC3(CC[NH2+]CC3)CCC2=O)n1 ZINC000091412212 193053204 /nfs/dbraw/zinc/05/32/04/193053204.db2.gz AXBGWUKMPLAVIZ-UHFFFAOYSA-N 1 0 308.382 0.751 50 0 DCAARO OCCC[C@@H]1CN(Cc2c[nH]cn2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091519121 193067663 /nfs/dbraw/zinc/06/76/63/193067663.db2.gz UZCNDHNVSOIWCU-ZBFHGGJFSA-N 1 0 308.426 0.705 50 0 DCAARO CCn1nc(C)c(C(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1C ZINC000091616354 193080014 /nfs/dbraw/zinc/08/00/14/193080014.db2.gz UBMKPLJAQHGXGP-ZIAGYGMSSA-N 1 0 308.426 0.762 50 0 DCAARO Cc1nccnc1N1C[C@H](NC(=O)C2([NH3+])CC2)[C@@H](C(C)C)C1 ZINC000091468698 193060240 /nfs/dbraw/zinc/06/02/40/193060240.db2.gz KYWHZYNQDZIFBX-OLZOCXBDSA-N 1 0 303.410 0.853 50 0 DCAARO Cc1c[nH]c(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)c1 ZINC000091486899 193063192 /nfs/dbraw/zinc/06/31/92/193063192.db2.gz CRAAXGLEHDNLOJ-MRXNPFEDSA-N 1 0 304.394 0.750 50 0 DCAARO Cc1nc(CCNC(=O)CC[C@H]2CCC[N@@H+](C)C2)cc(=O)[nH]1 ZINC000091645767 193085212 /nfs/dbraw/zinc/08/52/12/193085212.db2.gz IVWODQZVJAUTJD-CYBMUJFWSA-N 1 0 306.410 0.859 50 0 DCAARO CCNc1ncc(C(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)cn1 ZINC000091713688 193095808 /nfs/dbraw/zinc/09/58/08/193095808.db2.gz GIOHLXFYTWCRRS-CHWSQXEVSA-N 1 0 307.398 0.151 50 0 DCAARO O[C@]12CC[NH2+]C[C@H]1CN(Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000091781678 193107053 /nfs/dbraw/zinc/10/70/53/193107053.db2.gz AJQBKPCVZYPMEJ-HOCLYGCPSA-N 1 0 314.393 0.413 50 0 DCAARO Cn1c2ccc(C[NH2+]CCCN3CCCC3=O)cc2n(C)c1=O ZINC000012322346 181750190 /nfs/dbraw/zinc/75/01/90/181750190.db2.gz VKZZWACHZMMDGE-UHFFFAOYSA-N 1 0 316.405 0.979 50 0 DCAARO CC1=NN(CC(=O)N2CCC3(CC[NH2+]C[C@@H]3CO)CC2)CC1 ZINC000097475614 193725787 /nfs/dbraw/zinc/72/57/87/193725787.db2.gz ZELLVIWXNLNLDJ-CQSZACIVSA-N 1 0 308.426 0.279 50 0 DCAARO Cc1ccccc1NC(=O)CNC(=O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000019218608 182108396 /nfs/dbraw/zinc/10/83/96/182108396.db2.gz IXKKQTHKBSMWGY-AWEZNQCLSA-N 1 0 318.421 0.686 50 0 DCAARO O=C(CN1CC[NH2+]CC1)Nc1ccc(Cn2cncn2)cc1 ZINC000020134818 182190525 /nfs/dbraw/zinc/19/05/25/182190525.db2.gz IZISZYFQEZNJPI-UHFFFAOYSA-N 1 0 300.366 0.170 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2ccccc2Cl)CC1 ZINC000020434642 182217097 /nfs/dbraw/zinc/21/70/97/182217097.db2.gz NOJBWDBMIGUMBD-YPMHNXCESA-N 1 0 309.797 0.711 50 0 DCAARO CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000037811543 182928093 /nfs/dbraw/zinc/92/80/93/182928093.db2.gz MZIMITCXMMJJKL-OLZOCXBDSA-N 1 0 311.407 0.227 50 0 DCAARO Cc1nc(C)c(CCC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c(=O)[nH]1 ZINC000104499352 194010979 /nfs/dbraw/zinc/01/09/79/194010979.db2.gz QYMJUMVXGUWQNE-CYBMUJFWSA-N 1 0 306.410 0.729 50 0 DCAARO Cc1ccc2cc(CN3CC[N@@H+](C)[C@@H](CO)C3)c(=O)[nH]c2c1 ZINC000106722337 194246982 /nfs/dbraw/zinc/24/69/82/194246982.db2.gz KPBCHAPWKOMLRV-OAHLLOKOSA-N 1 0 301.390 0.945 50 0 DCAARO COC[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccco1 ZINC000110655123 194347309 /nfs/dbraw/zinc/34/73/09/194347309.db2.gz RAIYGHWSSBTNFB-STQMWFEESA-N 1 0 310.398 0.512 50 0 DCAARO C[NH+]1CCN(C[C@H](O)Cn2cnc3sccc3c2=O)CC1 ZINC000058143877 184080863 /nfs/dbraw/zinc/08/08/63/184080863.db2.gz WARNLOYOWUDMSO-NSHDSACASA-N 1 0 308.407 0.066 50 0 DCAARO Cc1nn(C)c(N(C)C)c1C[NH2+]CCNC(=O)c1ccco1 ZINC000058407794 184114632 /nfs/dbraw/zinc/11/46/32/184114632.db2.gz ZUKBCBNVTKQMCZ-UHFFFAOYSA-N 1 0 305.382 0.907 50 0 DCAARO COCC[N@@H+]1CC[C@H](C(=O)N2CC(n3nc(C)cc3C)C2)C1 ZINC000065407360 184339575 /nfs/dbraw/zinc/33/95/75/184339575.db2.gz RBBPPCWSUUXDNW-AWEZNQCLSA-N 1 0 306.410 0.852 50 0 DCAARO CC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000065439564 184345732 /nfs/dbraw/zinc/34/57/32/184345732.db2.gz PRSPKIQDCYETBX-NEPJUHHUSA-N 1 0 303.428 0.062 50 0 DCAARO C[N@H+](CCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C1CC1 ZINC000065447222 184346154 /nfs/dbraw/zinc/34/61/54/184346154.db2.gz OHELTEJWKNFEPF-GFCCVEGCSA-N 1 0 305.378 0.839 50 0 DCAARO Cc1cc2nc(C(=O)N3C[C@H]([NH+](C)C)C[C@H]3CO)cc(C)n2n1 ZINC000065454282 184347438 /nfs/dbraw/zinc/34/74/38/184347438.db2.gz AOJPMUCTUROWCE-OLZOCXBDSA-N 1 0 317.393 0.483 50 0 DCAARO C[NH+]1CCN(Cc2n[nH]c(=O)n2CCc2ccccc2F)CC1 ZINC000065455298 184347729 /nfs/dbraw/zinc/34/77/29/184347729.db2.gz KYWNNMLBQGDTDU-UHFFFAOYSA-N 1 0 319.384 0.701 50 0 DCAARO CN(CC(=O)N1C[C@H]([NH+](C)C)C[C@H]1CO)Cc1cccnc1 ZINC000065404277 184337813 /nfs/dbraw/zinc/33/78/13/184337813.db2.gz CWDSFFSAYHHPSL-CABCVRRESA-N 1 0 306.410 0.037 50 0 DCAARO C[C@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)C[C@H](C)[NH2+]1 ZINC000179149691 256591370 /nfs/dbraw/zinc/59/13/70/256591370.db2.gz SZRYUUMEBGNMRQ-QWRGUYRKSA-N 1 0 311.407 0.298 50 0 DCAARO C[C@@H]1CN(C(=O)Cc2csc(-c3nc[nH]n3)n2)C[C@H](C)[NH2+]1 ZINC000153954269 257240270 /nfs/dbraw/zinc/24/02/70/257240270.db2.gz XVRJZFLAYRBVKH-DTORHVGOSA-N 1 0 306.395 0.680 50 0 DCAARO OC1CN(c2nc([C@H]3CCOC3)cc(N3CCC(O)CC3)n2)C1 ZINC000426574743 257245922 /nfs/dbraw/zinc/24/59/22/257245922.db2.gz NOECRTXBXSFIQN-NSHDSACASA-N 1 0 320.393 0.123 50 0 DCAARO C[NH+](C)C1(CNC(=O)C2(Cn3ccnc3)CC2)CCOCC1 ZINC000426604206 257246016 /nfs/dbraw/zinc/24/60/16/257246016.db2.gz BLDPJSDDSIRLFZ-UHFFFAOYSA-N 1 0 306.410 0.890 50 0 DCAARO COC1CCN(C(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000426415665 257251535 /nfs/dbraw/zinc/25/15/35/257251535.db2.gz UECSZVARBXQSKX-ZDUSSCGKSA-N 1 0 306.410 0.988 50 0 DCAARO Cc1nc(CCN(C)C(=O)Cc2cccc(OCC[NH3+])c2)no1 ZINC000426389639 257252340 /nfs/dbraw/zinc/25/23/40/257252340.db2.gz LNYWVGQMFINEEP-UHFFFAOYSA-N 1 0 318.377 0.959 50 0 DCAARO CCS(=O)(=O)N(C)c1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000013672923 395688806 /nfs/dbraw/zinc/68/88/06/395688806.db2.gz VWYCYZFKEVCGIR-UHFFFAOYSA-N 1 0 313.423 0.764 50 0 DCAARO CCOC(=O)CCc1c(C)nc(N2CC[NH+](CC)CC2)[nH]c1=O ZINC000013639776 395688867 /nfs/dbraw/zinc/68/88/67/395688867.db2.gz KRDSZGMFUVOEHC-UHFFFAOYSA-N 1 0 322.409 0.716 50 0 DCAARO COc1ccc(OCC(=O)N2CCOC[C@H]2C[NH+](C)C)cc1 ZINC000085469950 395701074 /nfs/dbraw/zinc/70/10/74/395701074.db2.gz CPOROEXISLRIRD-CYBMUJFWSA-N 1 0 308.378 0.863 50 0 DCAARO COC[C@@H](O)C[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000096415734 395752912 /nfs/dbraw/zinc/75/29/12/395752912.db2.gz FOSWXTIMWAMXSD-KRWDZBQOSA-N 1 0 307.438 0.748 50 0 DCAARO O=C(CN1CC[NH+]([C@H]2CCSC2)CC1)NCC(F)(F)F ZINC000096468532 395753737 /nfs/dbraw/zinc/75/37/37/395753737.db2.gz UJSZICDNFCDXEI-JTQLQIEISA-N 1 0 311.373 0.788 50 0 DCAARO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000097033305 395754980 /nfs/dbraw/zinc/75/49/80/395754980.db2.gz OYJQTXBXHBTBMB-QWHCGFSZSA-N 1 0 302.440 0.991 50 0 DCAARO CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000097234919 395756460 /nfs/dbraw/zinc/75/64/60/395756460.db2.gz ICEMQYHOQFLPRO-SNVBAGLBSA-N 1 0 300.428 0.657 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@@H](O)Cn3cccn3)C2)n1 ZINC000106786929 395783427 /nfs/dbraw/zinc/78/34/27/395783427.db2.gz YEYPURWZKGMPBR-JKSUJKDBSA-N 1 0 318.425 0.865 50 0 DCAARO CN1CCO[C@@H](C[NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000106908570 395784827 /nfs/dbraw/zinc/78/48/27/395784827.db2.gz QUTUCJYCYRROIV-OLZOCXBDSA-N 1 0 300.424 0.546 50 0 DCAARO Cn1nccc1C(=O)N1CC[N@@H+](C2CCCCC2)C[C@@H](O)C1 ZINC000097515202 395758562 /nfs/dbraw/zinc/75/85/62/395758562.db2.gz JZQDMXHRJYYOOY-CQSZACIVSA-N 1 0 306.410 0.872 50 0 DCAARO O=C(N1CC[N@@H+](CCCO)C[C@H](O)C1)C1(c2ccccc2)CC1 ZINC000097527853 395758882 /nfs/dbraw/zinc/75/88/82/395758882.db2.gz XTBPQHYPUKHBQZ-INIZCTEOSA-N 1 0 318.417 0.606 50 0 DCAARO COc1cc(CCNC(=O)C2(O)CC[NH+](C)CC2)cc(OC)c1 ZINC000097634965 395759106 /nfs/dbraw/zinc/75/91/06/395759106.db2.gz AXOPQIVXSUCNSQ-UHFFFAOYSA-N 1 0 322.405 0.819 50 0 DCAARO CNC(=C[N+](=O)[O-])NCCSC[C@H]1CC[C@H](C[NH+](C)C)O1 ZINC000100231029 395762801 /nfs/dbraw/zinc/76/28/01/395762801.db2.gz HCDJRCQNCQCVSO-AJGRILASSA-N 1 0 318.443 0.713 50 0 DCAARO COc1ccccc1CCNc1c(=O)c(=O)c1NCC[NH+](C)C ZINC000101694569 395766681 /nfs/dbraw/zinc/76/66/81/395766681.db2.gz JMJKATXGXWZFGT-UHFFFAOYSA-N 1 0 317.389 0.919 50 0 DCAARO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CCn1cccn1 ZINC000111282410 395806041 /nfs/dbraw/zinc/80/60/41/395806041.db2.gz RFUIQVWITAQLQF-UHFFFAOYSA-N 1 0 315.377 0.943 50 0 DCAARO O[C@H](Cn1cccn1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000048290158 395812354 /nfs/dbraw/zinc/81/23/54/395812354.db2.gz XHEKTVBALBOFLX-INIZCTEOSA-N 1 0 301.394 0.457 50 0 DCAARO Cc1c(-c2ccnc(N3CC[NH+](C)CC3)n2)cnc2ncnn21 ZINC000049546968 395832671 /nfs/dbraw/zinc/83/26/71/395832671.db2.gz MJTJWTIAKOHZFP-UHFFFAOYSA-N 1 0 310.365 0.642 50 0 DCAARO NC(=O)C1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000051186150 395848470 /nfs/dbraw/zinc/84/84/70/395848470.db2.gz LSHFXNLYGJTDIL-ZIAGYGMSSA-N 1 0 309.410 0.354 50 0 DCAARO CC(C)[C@@H](NC(=O)CCN1CC[NH+](C)CC1)c1ncnn1C ZINC000222819015 395853325 /nfs/dbraw/zinc/85/33/25/395853325.db2.gz OZDPYOVKTAPOJP-CQSZACIVSA-N 1 0 308.430 0.266 50 0 DCAARO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000108929086 395795195 /nfs/dbraw/zinc/79/51/95/395795195.db2.gz IDOMCNAYGAWNAG-OUAUKWLOSA-N 1 0 322.409 0.215 50 0 DCAARO Cc1noc(C2CC[NH+](CCN3C(=O)NC(C)(C)C3=O)CC2)n1 ZINC000053639464 395886995 /nfs/dbraw/zinc/88/69/95/395886995.db2.gz UQKBCXHZSUXEQD-UHFFFAOYSA-N 1 0 321.381 0.888 50 0 DCAARO Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1S(N)(=O)=O ZINC000179160697 292066310 /nfs/dbraw/zinc/06/63/10/292066310.db2.gz XCYQNDPLWLUBFE-PHIMTYICSA-N 1 0 311.407 0.465 50 0 DCAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1COCCN1 ZINC000132012584 395925517 /nfs/dbraw/zinc/92/55/17/395925517.db2.gz NVJVFKSJZKPWSF-INIZCTEOSA-N 1 0 303.406 0.756 50 0 DCAARO Cc1cc(N2CCN(Cc3nccn3C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000229335780 395873786 /nfs/dbraw/zinc/87/37/86/395873786.db2.gz NFLBMHVADUPAKG-LBPRGKRZSA-N 1 0 301.398 0.811 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000229555579 395875941 /nfs/dbraw/zinc/87/59/41/395875941.db2.gz PSMHAFQQSNVFJT-BZUAXINKSA-N 1 0 306.410 0.719 50 0 DCAARO C[NH+](C)C1(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000053507723 395884828 /nfs/dbraw/zinc/88/48/28/395884828.db2.gz YFPSQWFNNCVRCK-GFCCVEGCSA-N 1 0 317.455 0.737 50 0 DCAARO Cc1ccccc1OCC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000056672368 395932550 /nfs/dbraw/zinc/93/25/50/395932550.db2.gz RHMRWRSUQAGVQY-UHFFFAOYSA-N 1 0 317.389 0.903 50 0 DCAARO O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000151563561 395988091 /nfs/dbraw/zinc/98/80/91/395988091.db2.gz FTHUPFMNJMGHFV-ZYHUDNBSSA-N 1 0 318.295 0.967 50 0 DCAARO O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000151941380 395996726 /nfs/dbraw/zinc/99/67/26/395996726.db2.gz NAUWMKJCUWTLAX-GJZGRUSLSA-N 1 0 304.390 0.574 50 0 DCAARO CCC1(CC)NC(=O)N(CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1=O ZINC000154002464 396029200 /nfs/dbraw/zinc/02/92/00/396029200.db2.gz HREWKJIGBZPDOD-QWRGUYRKSA-N 1 0 310.398 0.306 50 0 DCAARO Cc1cc(=O)n(CCN2CC([N@H+]3CCCC[C@H]3C)C2)c(=O)[nH]1 ZINC000253536568 396030592 /nfs/dbraw/zinc/03/05/92/396030592.db2.gz IEAQOYBVMGMILI-CYBMUJFWSA-N 1 0 306.410 0.816 50 0 DCAARO Cc1nc(N2CCN(C)CC2)ncc1C(=O)N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000067697379 396030713 /nfs/dbraw/zinc/03/07/13/396030713.db2.gz BKYFRSHJQRNTBZ-CHWSQXEVSA-N 1 0 318.425 0.146 50 0 DCAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N2CCC(C(N)=O)CC2)n1 ZINC000067741031 396032606 /nfs/dbraw/zinc/03/26/06/396032606.db2.gz CRQCLEMWPBYZOP-ZDUSSCGKSA-N 1 0 303.410 0.954 50 0 DCAARO CC1(C)CN(C(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)CCO1 ZINC000067770804 396033409 /nfs/dbraw/zinc/03/34/09/396033409.db2.gz FVIUJOXMWGXWCZ-LBPRGKRZSA-N 1 0 307.398 0.529 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2[nH]cnc2c1 ZINC000067784819 396034208 /nfs/dbraw/zinc/03/42/08/396034208.db2.gz KKWCCQGGYUNFJS-GWCFXTLKSA-N 1 0 301.350 0.241 50 0 DCAARO O=C(NC[C@H]1CC[N@@H+](C2CCOCC2)C1)c1c[nH]c(=O)cn1 ZINC000067908576 396039082 /nfs/dbraw/zinc/03/90/82/396039082.db2.gz KECIMPAYUFOUSU-LLVKDONJSA-N 1 0 306.366 0.001 50 0 DCAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[NH2+]CCO ZINC000067948097 396039758 /nfs/dbraw/zinc/03/97/58/396039758.db2.gz UTYZCMQYMMQLKG-OAHLLOKOSA-N 1 0 314.332 0.400 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1n[nH]c2c1CCC2 ZINC000067982661 396041404 /nfs/dbraw/zinc/04/14/04/396041404.db2.gz AACSYQSZXWUGKD-MFKMUULPSA-N 1 0 319.409 0.309 50 0 DCAARO CC[N@H+](CCCS(N)(=O)=O)Cc1ccc2c(c1)OCO2 ZINC000068457230 396056418 /nfs/dbraw/zinc/05/64/18/396056418.db2.gz OJSWDKDXNLJWNK-UHFFFAOYSA-N 1 0 300.380 0.916 50 0 DCAARO CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157925342 396064445 /nfs/dbraw/zinc/06/44/45/396064445.db2.gz NVNFWRXKMCCJAV-KGLIPLIRSA-N 1 0 310.419 0.592 50 0 DCAARO CCN1CCN(C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C1=O ZINC000069709414 396087826 /nfs/dbraw/zinc/08/78/26/396087826.db2.gz QQCBUZJGNJXIGQ-OAHLLOKOSA-N 1 0 321.425 0.466 50 0 DCAARO C[C@H](OC[C@@H]1CCCCO1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000069738554 396088405 /nfs/dbraw/zinc/08/84/05/396088405.db2.gz YKRYWBWQKKPVHX-ZNMIVQPWSA-N 1 0 313.442 0.323 50 0 DCAARO C[C@H](C(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1)n1ccnc1 ZINC000069770359 396089271 /nfs/dbraw/zinc/08/92/71/396089271.db2.gz BHIJCXRBSFKNMR-KGLIPLIRSA-N 1 0 308.426 0.995 50 0 DCAARO CCn1cc(CN2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000069740997 396089816 /nfs/dbraw/zinc/08/98/16/396089816.db2.gz LFDZPQPJGIRPAH-INIZCTEOSA-N 1 0 319.453 0.889 50 0 DCAARO COC[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)CC12CC[NH2+]CC2 ZINC000169783615 396091947 /nfs/dbraw/zinc/09/19/47/396091947.db2.gz WKVRTFOLHTZXNY-NSHDSACASA-N 1 0 314.411 0.046 50 0 DCAARO COC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)O)CC1 ZINC000069847682 396091965 /nfs/dbraw/zinc/09/19/65/396091965.db2.gz RIDCKLYMDDJZSB-OCCSQVGLSA-N 1 0 312.410 0.633 50 0 DCAARO O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262037869 396092067 /nfs/dbraw/zinc/09/20/67/396092067.db2.gz ZZAPOVCYRIEVFC-KBPBESRZSA-N 1 0 303.362 0.152 50 0 DCAARO Cc1cnn(CC(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)c1 ZINC000069952038 396096620 /nfs/dbraw/zinc/09/66/20/396096620.db2.gz XHGWMBFJVKKUMF-CQSZACIVSA-N 1 0 308.426 0.743 50 0 DCAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)CCO1 ZINC000071821652 396116130 /nfs/dbraw/zinc/11/61/30/396116130.db2.gz OMJBLVXMKKPQTC-GFCCVEGCSA-N 1 0 320.393 0.106 50 0 DCAARO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CC(N)=O ZINC000071822575 396117273 /nfs/dbraw/zinc/11/72/73/396117273.db2.gz VYNQDDWHCUUPPU-UKRRQHHQSA-N 1 0 318.421 0.183 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000071880504 396122409 /nfs/dbraw/zinc/12/24/09/396122409.db2.gz NKYWBHUHENTBKI-LSDHHAIUSA-N 1 0 309.410 0.321 50 0 DCAARO O=C(CC[NH2+]C[C@@H]1CCCN1c1cccnn1)N1CCOCC1 ZINC000072276766 396129132 /nfs/dbraw/zinc/12/91/32/396129132.db2.gz XCWBFJGSCXGTDM-AWEZNQCLSA-N 1 0 319.409 0.284 50 0 DCAARO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262464667 396143815 /nfs/dbraw/zinc/14/38/15/396143815.db2.gz GDOGOZDKIGTFJV-RQJHMYQMSA-N 1 0 309.313 0.843 50 0 DCAARO NC(=O)COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cncn2)c1 ZINC000069620759 396084529 /nfs/dbraw/zinc/08/45/29/396084529.db2.gz PKGOORCPNZAVGQ-AWEZNQCLSA-N 1 0 315.377 0.807 50 0 DCAARO C[C@H](C[NH3+])C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000262588174 396159043 /nfs/dbraw/zinc/15/90/43/396159043.db2.gz VVLXSHZJTBKDLN-SNVBAGLBSA-N 1 0 311.407 0.538 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000075131979 396176923 /nfs/dbraw/zinc/17/69/23/396176923.db2.gz GVUWSEUCYKUQQA-CYBMUJFWSA-N 1 0 315.443 0.414 50 0 DCAARO Cc1nc(CN(C)[C@@H]2CC[N@H+](CCc3cnn(C)c3)C2)no1 ZINC000076047360 396192870 /nfs/dbraw/zinc/19/28/70/396192870.db2.gz ICYNGSKLLXMIPE-CQSZACIVSA-N 1 0 304.398 0.860 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)o1 ZINC000076050714 396194258 /nfs/dbraw/zinc/19/42/58/396194258.db2.gz QCIIPCSPMUPLRS-NXEZZACHSA-N 1 0 315.395 0.210 50 0 DCAARO CC[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000076058366 396195090 /nfs/dbraw/zinc/19/50/90/396195090.db2.gz QHLODQSUAKNYLR-ZWNOBZJWSA-N 1 0 311.407 0.404 50 0 DCAARO O=C(CN1CCC[N@H+](CCN2CCCC2=O)CC1)N1CCCC1 ZINC000079954211 396273267 /nfs/dbraw/zinc/27/32/67/396273267.db2.gz MFURDVCFAJKAEI-UHFFFAOYSA-N 1 0 322.453 0.239 50 0 DCAARO Cc1cc(=O)[nH]c(NCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)n1 ZINC000077376995 396220404 /nfs/dbraw/zinc/22/04/04/396220404.db2.gz DQDCIGPERRJPBC-CYBMUJFWSA-N 1 0 322.409 0.808 50 0 DCAARO O=S(=O)(N1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000080826954 396287362 /nfs/dbraw/zinc/28/73/62/396287362.db2.gz BAEZTEBEEIRGGS-UHFFFAOYSA-N 1 0 303.428 0.124 50 0 DCAARO CS(=O)(=O)N[C@@H]1CCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000192029934 396428801 /nfs/dbraw/zinc/42/88/01/396428801.db2.gz WNACEIQICXNXKR-TZMCWYRMSA-N 1 0 323.418 0.563 50 0 DCAARO C[C@H](CN1CCOCC1)[NH2+]Cc1cccnc1-n1cncn1 ZINC000584895900 396635021 /nfs/dbraw/zinc/63/50/21/396635021.db2.gz VEMZCTXHAGQSLG-CYBMUJFWSA-N 1 0 302.382 0.473 50 0 DCAARO C[C@@H](C(=O)NCCC1N=NC(=O)N1C)[N@H+](C)C1CCCCC1 ZINC000584896758 396635703 /nfs/dbraw/zinc/63/57/03/396635703.db2.gz RNUCWQHDOHZQBP-NSHDSACASA-N 1 0 309.414 0.832 50 0 DCAARO CC(C)CS(=O)(=O)CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000584903616 396637376 /nfs/dbraw/zinc/63/73/76/396637376.db2.gz DSXZOUZYVBAVLF-LBPRGKRZSA-N 1 0 302.440 0.563 50 0 DCAARO C[C@H](O)[C@H](O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000585140255 396641402 /nfs/dbraw/zinc/64/14/02/396641402.db2.gz AXWAMOGQHHUWOQ-DZGCQCFKSA-N 1 0 308.378 0.935 50 0 DCAARO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C(=O)N1c1ccccc1 ZINC000299750220 396714137 /nfs/dbraw/zinc/71/41/37/396714137.db2.gz MXLNWUSGAIZWBY-SAXRGWBVSA-N 1 0 303.362 0.019 50 0 DCAARO O=C(Cn1ncccc1=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256978 396942462 /nfs/dbraw/zinc/94/24/62/396942462.db2.gz NLMYKOHSBWJGAN-ZDUSSCGKSA-N 1 0 318.402 0.696 50 0 DCAARO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000370211021 397456654 /nfs/dbraw/zinc/45/66/54/397456654.db2.gz AWJIIONDWCWIPA-NWDGAFQWSA-N 1 0 320.459 0.179 50 0 DCAARO COCC1(C(=O)N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)CC1 ZINC000091636986 292212057 /nfs/dbraw/zinc/21/20/57/292212057.db2.gz FFSPPXUXIIBFRW-INIZCTEOSA-N 1 0 309.410 0.226 50 0 DCAARO C[C@@H](Cn1cccn1)[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000138123402 287029336 /nfs/dbraw/zinc/02/93/36/287029336.db2.gz HAIFFLMBWYNWMO-HNNXBMFYSA-N 1 0 315.425 0.473 50 0 DCAARO COc1c(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C)nn1C ZINC000130578311 196092362 /nfs/dbraw/zinc/09/23/62/196092362.db2.gz ITAGMSDLVOILLK-LBPRGKRZSA-N 1 0 309.414 0.830 50 0 DCAARO CCC[N@H+](CCO)C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000046342896 415259249 /nfs/dbraw/zinc/25/92/49/415259249.db2.gz ZGNBFMCYCZXTPI-CQSZACIVSA-N 1 0 311.378 0.997 50 0 DCAARO O=c1cc(CN2CC[NH+](CCO)CC2)nc2ccc(Cl)cn12 ZINC000044871622 415228003 /nfs/dbraw/zinc/22/80/03/415228003.db2.gz HZRNPDCDJBFJSX-UHFFFAOYSA-N 1 0 322.796 0.458 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCSC2=O)C1 ZINC000044874988 415229424 /nfs/dbraw/zinc/22/94/24/415229424.db2.gz VTFFKUICVORGDW-LBPRGKRZSA-N 1 0 315.439 0.628 50 0 DCAARO CC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000048251811 415286800 /nfs/dbraw/zinc/28/68/00/415286800.db2.gz GCUAZXRACWVUCX-CQSZACIVSA-N 1 0 318.425 0.650 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1[nH]nc2ncccc21 ZINC000049550332 415309905 /nfs/dbraw/zinc/30/99/05/415309905.db2.gz YQLUOSBHXBVXBQ-JTQLQIEISA-N 1 0 316.365 0.497 50 0 DCAARO COc1cc(F)c(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc1OC ZINC000052093508 415320245 /nfs/dbraw/zinc/32/02/45/415320245.db2.gz IQALPTYLJSQSNY-MRVPVSSYSA-N 1 0 304.343 0.483 50 0 DCAARO COCC[NH+]1CCC(NCc2c(C)nn(C)c2N(C)C)CC1 ZINC000058434392 415341474 /nfs/dbraw/zinc/34/14/74/415341474.db2.gz CTRGRZQQFZJQGW-UHFFFAOYSA-N 1 0 309.458 0.995 50 0 DCAARO CCn1c(=O)[nH]nc1C1CCN(C(=O)CC2=CC[NH2+]CC2)CC1 ZINC000067560378 415380208 /nfs/dbraw/zinc/38/02/08/415380208.db2.gz JXPLNLZDXLVZJK-UHFFFAOYSA-N 1 0 319.409 0.607 50 0 DCAARO CCC(C)(C)NC(=O)C(=O)N1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067790082 415383879 /nfs/dbraw/zinc/38/38/79/415383879.db2.gz CAMDSWUOQWBUKN-UHFFFAOYSA-N 1 0 324.469 0.530 50 0 DCAARO Nc1nc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)cs1 ZINC000067679035 415386049 /nfs/dbraw/zinc/38/60/49/415386049.db2.gz HUWXVNTWFRRGJK-SECBINFHSA-N 1 0 321.410 0.246 50 0 DCAARO CC[C@H]1CN(CC(=O)NCc2ccccn2)CC[N@@H+]1C[C@@H](C)O ZINC000075129474 415438272 /nfs/dbraw/zinc/43/82/72/415438272.db2.gz YJUXBNNVRDQYIJ-ZBFHGGJFSA-N 1 0 320.437 0.475 50 0 DCAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc[nH]c1=O)C2 ZINC000095352772 415549849 /nfs/dbraw/zinc/54/98/49/415549849.db2.gz CDXGQUGZVVRADK-CHWSQXEVSA-N 1 0 305.378 0.558 50 0 DCAARO O=C(CO)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095364149 415552948 /nfs/dbraw/zinc/55/29/48/415552948.db2.gz VFHWSQWMEZXPQX-USXIJHARSA-N 1 0 302.374 0.773 50 0 DCAARO CCn1ccnc1CN1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000106929563 415657043 /nfs/dbraw/zinc/65/70/43/415657043.db2.gz BHZZLOZWTRJPAA-JKSUJKDBSA-N 1 0 321.469 0.740 50 0 DCAARO COc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1N1CCNC1=O ZINC000158373622 416000289 /nfs/dbraw/zinc/00/02/89/416000289.db2.gz DKLHGQZCTZIHMC-LBPRGKRZSA-N 1 0 318.377 0.788 50 0 DCAARO COCCCn1cnnc1CNC(=O)C[NH+]1CCCCCC1 ZINC000299759716 416065034 /nfs/dbraw/zinc/06/50/34/416065034.db2.gz QVHNYGRMIPPRGZ-UHFFFAOYSA-N 1 0 309.414 0.807 50 0 DCAARO O=C(C[C@@H]1CC[NH2+]C1)NCCn1ncc2ccccc2c1=O ZINC000299777039 416067150 /nfs/dbraw/zinc/06/71/50/416067150.db2.gz HWCGSXRKWYTIIV-LBPRGKRZSA-N 1 0 300.362 0.512 50 0 DCAARO O=C(CCn1cc(Cl)cn1)NCC[N@H+]1CCCC[C@@H]1CO ZINC000299778283 416067828 /nfs/dbraw/zinc/06/78/28/416067828.db2.gz GYZUOHNGOUSYTF-CYBMUJFWSA-N 1 0 314.817 0.890 50 0 DCAARO CN(C(=O)c1ccc(-n2cnnn2)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000179073411 416181314 /nfs/dbraw/zinc/18/13/14/416181314.db2.gz SDFUZYPBPCKNMU-JTQLQIEISA-N 1 0 306.757 0.750 50 0 DCAARO C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000247024342 416332483 /nfs/dbraw/zinc/33/24/83/416332483.db2.gz ZNOGTDSTDOJKAD-LPWJVIDDSA-N 1 0 302.440 0.847 50 0 DCAARO Cc1n[nH]c(C)c1CCCNC(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000240662406 416330023 /nfs/dbraw/zinc/33/00/23/416330023.db2.gz PKSBUQXXIYFVFC-CQSZACIVSA-N 1 0 307.442 0.711 50 0 DCAARO C[C@@H](CCC(=O)NCc1cccnc1N)[NH+]1CCN(C)CC1 ZINC000244724384 416330935 /nfs/dbraw/zinc/33/09/35/416330935.db2.gz MSWAMPLJGFGHET-ZDUSSCGKSA-N 1 0 305.426 0.696 50 0 DCAARO Cc1nc(N)ncc1C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000534668894 416507269 /nfs/dbraw/zinc/50/72/69/416507269.db2.gz CGTWXECHWHVXAX-UHFFFAOYSA-N 1 0 307.398 0.598 50 0 DCAARO CNc1nc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000584886441 416515835 /nfs/dbraw/zinc/51/58/35/416515835.db2.gz JTOHOEFZXABRJG-UHFFFAOYSA-N 1 0 324.450 1.558 50 0 DCAARO Cc1csc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000451237933 417321896 /nfs/dbraw/zinc/32/18/96/417321896.db2.gz SASUFDXMEGSPOJ-UHFFFAOYSA-N 1 0 304.437 0.792 50 0 DCAARO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000299739130 229371637 /nfs/dbraw/zinc/37/16/37/229371637.db2.gz KWKZDPWIWPGWPK-IALDZJHCSA-N 1 0 305.444 0.542 50 0 DCAARO CC[N@H+](C)[C@@H]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000225672076 276309372 /nfs/dbraw/zinc/30/93/72/276309372.db2.gz QUPDRQLOHZNCEX-CYBMUJFWSA-N 1 0 308.426 0.877 50 0 DCAARO CNC(=O)C(=O)NC[C@H](c1cccn1C)[NH+]1CCCCCC1 ZINC000011898809 277221609 /nfs/dbraw/zinc/22/16/09/277221609.db2.gz OQBPDASEKCYFKU-CQSZACIVSA-N 1 0 306.410 0.804 50 0 DCAARO Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1C[C@H]3CCCC[C@@H]3[NH2+]1)CC2 ZINC000225465014 279399796 /nfs/dbraw/zinc/39/97/96/279399796.db2.gz OWHFUWGGERUSJV-ZLDLUXBVSA-N 1 0 316.405 0.586 50 0 DCAARO CNC(=O)C1(C(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)CC1 ZINC000069771607 290349774 /nfs/dbraw/zinc/34/97/74/290349774.db2.gz RLVOXBDHMGWVET-GFCCVEGCSA-N 1 0 311.426 0.064 50 0 DCAARO O=S(=O)(CCOc1ccccc1F)N1CCC[NH2+]CC1 ZINC000534576755 334287976 /nfs/dbraw/zinc/28/79/76/334287976.db2.gz UFVDMQDCMLCCEI-UHFFFAOYSA-N 1 0 302.371 0.830 50 0 DCAARO C[NH+](C)C1(CNS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CCCC1 ZINC000534648564 334316827 /nfs/dbraw/zinc/31/68/27/334316827.db2.gz RMYZEMRDQKCIMU-UHFFFAOYSA-N 1 0 316.383 0.041 50 0 DCAARO CC[N@@H+]1C[C@H](NC(=O)c2ccccc2-c2nc[nH]n2)[C@@H](OC)C1 ZINC000534670020 334320033 /nfs/dbraw/zinc/32/00/33/334320033.db2.gz FMBOLRNNSDLEGB-KBPBESRZSA-N 1 0 315.377 0.921 50 0 DCAARO Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2C=CC[NH2+]2)n1 ZINC000534676194 334323616 /nfs/dbraw/zinc/32/36/16/334323616.db2.gz CCCFFLXIXBVPCI-SECBINFHSA-N 1 0 300.284 0.991 50 0 DCAARO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262464664 523553536 /nfs/dbraw/zinc/55/35/36/523553536.db2.gz GDOGOZDKIGTFJV-BQBZGAKWSA-N 1 0 309.313 0.843 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[NH2+]1 ZINC000188387156 524868389 /nfs/dbraw/zinc/86/83/89/524868389.db2.gz YHSQQHHVIFKMAU-HWPZZCPQSA-N 1 0 316.361 0.175 50 0 DCAARO Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000237743518 527115635 /nfs/dbraw/zinc/11/56/35/527115635.db2.gz HPVQPIGTUIRYKN-LBPRGKRZSA-N 1 0 303.366 0.398 50 0 DCAARO O=C(CCN1CCCCC1=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000670438029 547091193 /nfs/dbraw/zinc/09/11/93/547091193.db2.gz DMACGBUNSDORTG-CQSZACIVSA-N 1 0 311.426 0.352 50 0 DCAARO COC[C@H](C)NC(=O)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000670447679 547095355 /nfs/dbraw/zinc/09/53/55/547095355.db2.gz AYKRQCLPUJVAKV-ZDUSSCGKSA-N 1 0 311.426 0.472 50 0 DCAARO Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@@]1(C)CC[N@H+](C)C1 ZINC000670466113 547099379 /nfs/dbraw/zinc/09/93/79/547099379.db2.gz YCMVMVZCVYAXII-ZDUSSCGKSA-N 1 0 300.428 0.989 50 0 DCAARO CS(C)(=O)=NS(=O)(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000864094563 667214308 /nfs/dbraw/zinc/21/43/08/667214308.db2.gz YDIMOQPKQFHQQQ-LBPRGKRZSA-N 1 0 319.452 0.509 50 0 DCAARO C[C@H](Cn1cncn1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000952983660 685602081 /nfs/dbraw/zinc/60/20/81/685602081.db2.gz UQQBDRDBZHDHHY-CYBMUJFWSA-N 1 0 307.398 0.237 50 0 DCAARO CN(C)c1ncc(/C=C/C(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)cn1 ZINC000952991560 685602841 /nfs/dbraw/zinc/60/28/41/685602841.db2.gz ZYAJZDHRKQPNGX-IHDARNGBSA-N 1 0 319.409 0.079 50 0 DCAARO COc1ccc([C@H]2[NH2+]C(CO)(CO)[C@H]3CN(C)C[C@H]32)cc1C ZINC000065372420 685063411 /nfs/dbraw/zinc/06/34/11/685063411.db2.gz KEGLOHKFYUUYCM-IJEWVQPXSA-N 1 0 306.406 0.549 50 0 DCAARO Cc1nc2c(c(N3CCC[C@@H](C(N)=O)C3)n1)CC[N@H+](C)CC2 ZINC000072474084 685075635 /nfs/dbraw/zinc/07/56/35/685075635.db2.gz JXCYJNZCAWFTHV-GFCCVEGCSA-N 1 0 303.410 0.517 50 0 DCAARO CN(C)C[C@]12C[NH2+]C[C@@H]1CN(c1ccc(S(C)(=O)=O)cn1)C2 ZINC001772712537 1157848910 /nfs/dbraw/zinc/84/89/10/1157848910.db2.gz RSQFCNBYNBGTMU-DOMZBBRYSA-N 1 0 324.450 0.073 50 0 DCAARO C[N@@H+]1CCC[C@]2(CO)CCN(C(=O)c3cc(O)ccc3N)C[C@@H]12 ZINC001704302612 1179965768 /nfs/dbraw/zinc/96/57/68/1179965768.db2.gz AGOUFSFTAHAQOC-NVXWUHKLSA-N 1 0 319.405 0.893 50 0 DCAARO Nc1ncc(C[N@@H+]2CCC[C@@]3(CCc4cnc(N)nc43)C2)cn1 ZINC001704305572 1179967944 /nfs/dbraw/zinc/96/79/44/1179967944.db2.gz LKCPWHCFVCCJDV-MRXNPFEDSA-N 1 0 311.393 0.911 50 0 DCAARO COc1ccc(O)c(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)c1 ZINC001704326226 1179973156 /nfs/dbraw/zinc/97/31/56/1179973156.db2.gz YJJKZXSAFVVGMC-RYUDHWBXSA-N 1 0 306.362 0.803 50 0 DCAARO COc1cccc2c1C1(CC[NH+](C[C@H](O)CO)CC1)OCC2 ZINC001704336017 1179977394 /nfs/dbraw/zinc/97/73/94/1179977394.db2.gz FUJXSQNJFJCVJE-AWEZNQCLSA-N 1 0 307.390 0.912 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)Cn1nc3ccccc3n1)C2 ZINC001704336936 1179977619 /nfs/dbraw/zinc/97/76/19/1179977619.db2.gz NAFCXHNPOFCQML-STQMWFEESA-N 1 0 315.377 0.220 50 0 DCAARO CCCn1nccc1S(=O)(=O)NC[C@@]1(C)CC[N@H+](C)C1 ZINC000823032918 758219326 /nfs/dbraw/zinc/21/93/26/758219326.db2.gz FFHPECGROOVBHH-CYBMUJFWSA-N 1 0 300.428 0.913 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)N2CCCC2)C1 ZINC000824413181 758773600 /nfs/dbraw/zinc/77/36/00/758773600.db2.gz SPTFWOBSSMFYNH-ZDUSSCGKSA-N 1 0 305.444 0.275 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)CN(C)Cc1ccncc1 ZINC000827825684 758887337 /nfs/dbraw/zinc/88/73/37/758887337.db2.gz BVJFAEGJPNIQCE-UHFFFAOYSA-N 1 0 313.405 0.867 50 0 DCAARO Cc1nc2c([nH]1)CCN(C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1)C2 ZINC000828108621 758927364 /nfs/dbraw/zinc/92/73/64/758927364.db2.gz WXLNTRHYQDOWEO-INIZCTEOSA-N 1 0 317.437 0.819 50 0 DCAARO CC(C)Oc1cc(NCC[N@@H+]2CCC[C@H](CO)C2)nc(N)n1 ZINC000828711077 759073559 /nfs/dbraw/zinc/07/35/59/759073559.db2.gz BMNDIDXFFNGNEM-LBPRGKRZSA-N 1 0 309.414 0.962 50 0 DCAARO C[C@H](COCC(=O)NC1(CO)CCSCC1)[NH+]1CCCC1 ZINC000585121307 766286608 /nfs/dbraw/zinc/28/66/08/766286608.db2.gz LMZSXERCKMIITR-CYBMUJFWSA-N 1 0 316.467 0.862 50 0 DCAARO CN(C)[S@](C)(=O)=NS(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000952878848 768942251 /nfs/dbraw/zinc/94/22/51/768942251.db2.gz JXKDJPQUOBHVQZ-NSPYISDASA-N 1 0 320.440 0.095 50 0 DCAARO CCCN(CCC)C(=O)CN1CCOC[C@@]1(CO)C[NH+](C)C ZINC000952883789 768951998 /nfs/dbraw/zinc/95/19/98/768951998.db2.gz PZJGESRZBQBFBN-INIZCTEOSA-N 1 0 315.458 0.260 50 0 DCAARO CO[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCn1cnc2ccccc21 ZINC001506400641 1017256243 /nfs/dbraw/zinc/25/62/43/1017256243.db2.gz FMIMAVXYKAFAIP-DZGCQCFKSA-N 1 0 302.378 0.920 50 0 DCAARO Cn1nccc1CCC(=O)Nc1nnc(CC[NH+](C)C)s1 ZINC001506410113 1017259119 /nfs/dbraw/zinc/25/91/19/1017259119.db2.gz JJFAMXCOYYTSPA-UHFFFAOYSA-N 1 0 308.411 0.947 50 0 DCAARO C[NH+](C)CCN1C[C@H](C(=O)N2CC(c3cccnc3)C2)CC1=O ZINC000095499248 185374670 /nfs/dbraw/zinc/37/46/70/185374670.db2.gz PKYFWBNEPRFOHY-CQSZACIVSA-N 1 0 316.405 0.418 50 0 DCAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)c1cscn1 ZINC000299799296 282098289 /nfs/dbraw/zinc/09/82/89/282098289.db2.gz QNBTYWTVZPKTOK-NSHDSACASA-N 1 0 310.423 0.816 50 0 DCAARO CCn1cc(CC[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 ZINC000328591170 231234108 /nfs/dbraw/zinc/23/41/08/231234108.db2.gz MQSZXEFUKWFWSP-ZDUSSCGKSA-N 1 0 314.455 0.707 50 0 DCAARO C[C@H]1CCCN(S(=O)(=O)c2ncn(C)c2Cl)[C@H]1C[NH3+] ZINC000328599938 231237487 /nfs/dbraw/zinc/23/74/87/231237487.db2.gz UQUCBPAWCDQQJA-IUCAKERBSA-N 1 0 306.819 0.821 50 0 DCAARO [NH3+][C@@H]1CCN(Cc2cnc(NCc3ccccc3)nc2)C[C@H]1O ZINC000082106875 192356184 /nfs/dbraw/zinc/35/61/84/192356184.db2.gz QKNALCKVHWTGLX-HZPDHXFCSA-N 1 0 313.405 0.983 50 0 DCAARO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000237186471 290684552 /nfs/dbraw/zinc/68/45/52/290684552.db2.gz XJOBYIXJDIOFJB-STQMWFEESA-N 1 0 317.455 0.259 50 0 DCAARO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095399369 185353838 /nfs/dbraw/zinc/35/38/38/185353838.db2.gz LBRNRTRRAUCHFX-ZDUSSCGKSA-N 1 0 300.366 0.967 50 0 DCAARO COC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(C)c(C)c2)C(=O)C1 ZINC000082156795 192362952 /nfs/dbraw/zinc/36/29/52/192362952.db2.gz XNCUNMBFWOYVPR-OAHLLOKOSA-N 1 0 319.405 0.448 50 0 DCAARO CN(CC[N@H+](C)C1CC1)C(=O)CCCCCCS(N)(=O)=O ZINC000408518181 529901513 /nfs/dbraw/zinc/90/15/13/529901513.db2.gz WGIVPJVOVXPRDL-UHFFFAOYSA-N 1 0 319.471 0.778 50 0 DCAARO O[C@@H](C[NH2+][C@H]1CCc2ncnn2C1)COCc1ccccc1 ZINC000069875315 190833130 /nfs/dbraw/zinc/83/31/30/190833130.db2.gz UIGORRLNQJHNBJ-GJZGRUSLSA-N 1 0 302.378 0.760 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000133648688 186003623 /nfs/dbraw/zinc/00/36/23/186003623.db2.gz ZWUXUJJNFARQDR-ZDUSSCGKSA-N 1 0 316.405 0.941 50 0 DCAARO O=C(NCCc1csc(-c2ccncc2)n1)[C@H]1C[NH2+]CCO1 ZINC000072128400 191042762 /nfs/dbraw/zinc/04/27/62/191042762.db2.gz HHURMMWLANMICP-CYBMUJFWSA-N 1 0 318.402 0.852 50 0 DCAARO COc1ccc(C)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCOC1 ZINC000072133292 191044145 /nfs/dbraw/zinc/04/41/45/191044145.db2.gz QKZRLYNMULSTQP-LBPRGKRZSA-N 1 0 314.407 0.518 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2(Cn3cccn3)CC2)CC1 ZINC000072150234 191056308 /nfs/dbraw/zinc/05/63/08/191056308.db2.gz KTBORPIZPBYZQC-QGZVFWFLSA-N 1 0 320.437 0.969 50 0 DCAARO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ncc[nH]1 ZINC000072158297 191061571 /nfs/dbraw/zinc/06/15/71/191061571.db2.gz UTCSYZOBWPXFDD-LBPRGKRZSA-N 1 0 307.398 0.215 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)N1CCC(Nc2ccccn2)CC1 ZINC000072161581 191062515 /nfs/dbraw/zinc/06/25/15/191062515.db2.gz RXSNAKUBBWWWKQ-AWEZNQCLSA-N 1 0 304.394 0.863 50 0 DCAARO Cc1nc2c(c(N(C)C)n1)CCN(C(=O)C[NH+]1CCCC1)C2 ZINC000072163268 191063120 /nfs/dbraw/zinc/06/31/20/191063120.db2.gz AXPHIXGHSLIELA-UHFFFAOYSA-N 1 0 303.410 0.832 50 0 DCAARO CN(CCN1CCCCC1=O)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072169695 191068433 /nfs/dbraw/zinc/06/84/33/191068433.db2.gz OXJQULPISXHWGY-UHFFFAOYSA-N 1 0 305.426 0.821 50 0 DCAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)N1CCCn2cncc2C1 ZINC000072426847 191161654 /nfs/dbraw/zinc/16/16/54/191161654.db2.gz IFOREDRBMDUQJI-UHFFFAOYSA-N 1 0 314.393 0.548 50 0 DCAARO Cc1nc([C@H]2CCCN(C(=O)C[NH3+])C2)cc(N2CCOCC2)n1 ZINC000072429513 191162600 /nfs/dbraw/zinc/16/26/00/191162600.db2.gz SLKUCILUZCESEA-ZDUSSCGKSA-N 1 0 319.409 0.286 50 0 DCAARO Cc1ncc2c(c1CNC(=O)CCn1cncn1)CC[NH2+]C2 ZINC000072440639 191167860 /nfs/dbraw/zinc/16/78/60/191167860.db2.gz YBFVPLBTMOIDLH-UHFFFAOYSA-N 1 0 300.366 0.334 50 0 DCAARO CN1CCO[C@H](C(=O)Nc2ccc3c(c2)N(C)CC[N@@H+](C)C3)C1 ZINC000095464823 283022676 /nfs/dbraw/zinc/02/26/76/283022676.db2.gz HDFLNFHEXNBNDD-INIZCTEOSA-N 1 0 318.421 0.837 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000075132666 191426815 /nfs/dbraw/zinc/42/68/15/191426815.db2.gz RIWIPHOBLFLESQ-ABAIWWIYSA-N 1 0 300.349 0.997 50 0 DCAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000077319253 191691767 /nfs/dbraw/zinc/69/17/67/191691767.db2.gz HSQMTIDTYHZMMX-UHFFFAOYSA-N 1 0 313.361 0.826 50 0 DCAARO Cn1ncc(N2CCO[C@H](CC[NH2+]C3CCOCC3)C2)cc1=O ZINC000077406136 191709033 /nfs/dbraw/zinc/70/90/33/191709033.db2.gz AGSMKIPWNJPJHA-OAHLLOKOSA-N 1 0 322.409 0.144 50 0 DCAARO COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)N(C)C ZINC000237259362 202207995 /nfs/dbraw/zinc/20/79/95/202207995.db2.gz PLCUYHBXWUFEPZ-XBFCOCLRSA-N 1 0 307.394 0.137 50 0 DCAARO Cc1nccn1Cc1cccc(CNC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000237630978 202310888 /nfs/dbraw/zinc/31/08/88/202310888.db2.gz FAYNCWOZGGHAHA-INIZCTEOSA-N 1 0 314.389 0.844 50 0 DCAARO O=C(NCc1cccnc1OCC(F)(F)F)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238001970 202415858 /nfs/dbraw/zinc/41/58/58/202415858.db2.gz SROCEUXGROCTFR-ZJUUUORDSA-N 1 0 319.283 0.362 50 0 DCAARO O=C(CNC(=O)c1ccc(OC(F)F)cc1)N1CC[NH2+]CC1 ZINC000316103893 291253904 /nfs/dbraw/zinc/25/39/04/291253904.db2.gz NCNDONDQLWDGHN-UHFFFAOYSA-N 1 0 313.304 0.450 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)n2cccc2c1=O ZINC000006799580 181390495 /nfs/dbraw/zinc/39/04/95/181390495.db2.gz JFRAJKDTJSTEHJ-CYBMUJFWSA-N 1 0 317.393 0.405 50 0 DCAARO Cc1cnc(N)nc1NCC[C@H]1CCC(=O)N1CC[NH+](C)C ZINC000091562858 193073457 /nfs/dbraw/zinc/07/34/57/193073457.db2.gz IXTIZPTUZUUAEQ-GFCCVEGCSA-N 1 0 306.414 0.722 50 0 DCAARO NC(=O)C1CC[NH+](CC(=O)N2CCC[C@H]2c2cccnc2)CC1 ZINC000091713409 193096472 /nfs/dbraw/zinc/09/64/72/193096472.db2.gz LNBJXRRKMJIOIE-HNNXBMFYSA-N 1 0 316.405 0.942 50 0 DCAARO COC1CCN(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)CC1 ZINC000091746370 193101786 /nfs/dbraw/zinc/10/17/86/193101786.db2.gz RGQAPGXZKFTFFW-OLZOCXBDSA-N 1 0 303.428 0.011 50 0 DCAARO CN1CCC[C@]2(CCN(C(=O)CN3CCC[N@H+](C)CC3)C2)C1=O ZINC000092038314 193146436 /nfs/dbraw/zinc/14/64/36/193146436.db2.gz QGDRGNWHWDWPAI-QGZVFWFLSA-N 1 0 322.453 0.095 50 0 DCAARO O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000106094610 284086535 /nfs/dbraw/zinc/08/65/35/284086535.db2.gz LIFJZSOGDWJKGI-IJLUTSLNSA-N 1 0 301.412 0.100 50 0 DCAARO COC(=O)c1cn([C@@H]2C[NH+]3CCC2CC3)cc2c(=O)[nH]nc1-2 ZINC000263588644 203487491 /nfs/dbraw/zinc/48/74/91/203487491.db2.gz WNKYKUXEPLCLNX-GFCCVEGCSA-N 1 0 302.334 0.730 50 0 DCAARO O=C(CN1CCCC1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000020937964 182255643 /nfs/dbraw/zinc/25/56/43/182255643.db2.gz DBMIIXNVGZLGNT-UHFFFAOYSA-N 1 0 323.437 0.760 50 0 DCAARO O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CCS(=O)(=O)CC1 ZINC000072159390 296262694 /nfs/dbraw/zinc/26/26/94/296262694.db2.gz LAHLYWOIOFBNQX-GFCCVEGCSA-N 1 0 308.403 0.634 50 0 DCAARO CCn1c(N)c(C(=O)C[N@H+](CC)C2CCCCC2)c(=O)[nH]c1=O ZINC000040468767 183073634 /nfs/dbraw/zinc/07/36/34/183073634.db2.gz WNUHTEBXOTYSKP-UHFFFAOYSA-N 1 0 322.409 0.976 50 0 DCAARO OCC[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(F)c(F)c1 ZINC000106724434 194247241 /nfs/dbraw/zinc/24/72/41/194247241.db2.gz VRHZXZPXMFOCHN-CYBMUJFWSA-N 1 0 300.349 0.826 50 0 DCAARO COc1c(C[NH2+]CCCN(C)S(C)(=O)=O)c(C)nn1C ZINC000058297538 184102400 /nfs/dbraw/zinc/10/24/00/184102400.db2.gz XHVRBEVQXRJKQX-UHFFFAOYSA-N 1 0 304.416 0.108 50 0 DCAARO O=C(NCCCn1cncn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065437089 184345226 /nfs/dbraw/zinc/34/52/26/184345226.db2.gz VRHRTWBVUWCSHO-AWEZNQCLSA-N 1 0 306.414 0.938 50 0 DCAARO C[NH+](C)[C@H](CNC(=O)C1=NNC(=O)CC1)c1cccc(F)c1 ZINC000065608192 184372311 /nfs/dbraw/zinc/37/23/11/184372311.db2.gz JRQSYKVLRJAHDO-CYBMUJFWSA-N 1 0 306.341 0.811 50 0 DCAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCOc1cccc(C(N)=O)c1 ZINC000237589342 257238447 /nfs/dbraw/zinc/23/84/47/257238447.db2.gz JZICMTAEMMKZQS-WCQYABFASA-N 1 0 305.378 0.893 50 0 DCAARO C[C@H](Cn1cncn1)NC(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000426701729 257243610 /nfs/dbraw/zinc/24/36/10/257243610.db2.gz VVUHIPMNTCEGHC-LLVKDONJSA-N 1 0 321.356 0.963 50 0 DCAARO Cc1cc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c(C)o1 ZINC000426581032 257246080 /nfs/dbraw/zinc/24/60/80/257246080.db2.gz TUAZXZLGIJAOSJ-ZIAGYGMSSA-N 1 0 323.393 0.150 50 0 DCAARO CCc1nc2ncc3c(ccn(CCC[NH+](C)C)c3=O)n2n1 ZINC000012391098 395687635 /nfs/dbraw/zinc/68/76/35/395687635.db2.gz FPWCTRWXZPNQRT-UHFFFAOYSA-N 1 0 300.366 0.953 50 0 DCAARO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@H]1C(C)C ZINC000033350741 395717049 /nfs/dbraw/zinc/71/70/49/395717049.db2.gz JNCVFDFYSNHOTQ-STQMWFEESA-N 1 0 324.425 0.314 50 0 DCAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000084736340 395698641 /nfs/dbraw/zinc/69/86/41/395698641.db2.gz YSORVVREZOPIDB-RISCZKNCSA-N 1 0 316.423 0.922 50 0 DCAARO C[C@H](CCc1cccn1C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000096440122 395753155 /nfs/dbraw/zinc/75/31/55/395753155.db2.gz WYNPVGHFEOUGQP-ZBFHGGJFSA-N 1 0 321.469 0.891 50 0 DCAARO CCS(=O)(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000096427899 395753299 /nfs/dbraw/zinc/75/32/99/395753299.db2.gz HWNOXSXCVNDPKV-HNNXBMFYSA-N 1 0 311.451 0.914 50 0 DCAARO CC[NH+]1CCN([C@H](C)CNc2ncccc2C(=O)NC)CC1 ZINC000096453488 395753673 /nfs/dbraw/zinc/75/36/73/395753673.db2.gz VLTPEZWNXYEVRR-CYBMUJFWSA-N 1 0 305.426 0.879 50 0 DCAARO C[C@H](CC(=O)NCC(C)(C)S(C)(=O)=O)[C@@H]1CCC[NH2+]C1 ZINC000096476275 395753961 /nfs/dbraw/zinc/75/39/61/395753961.db2.gz ACPOMFUHWRKEMR-VXGBXAGGSA-N 1 0 304.456 0.952 50 0 DCAARO Cn1nccc1C(=O)N1CC[N@@H+](C2CCCCC2)C[C@H](O)C1 ZINC000097515201 395758501 /nfs/dbraw/zinc/75/85/01/395758501.db2.gz JZQDMXHRJYYOOY-AWEZNQCLSA-N 1 0 306.410 0.872 50 0 DCAARO C[C@@H](CNS(=O)(=O)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000097598535 395759274 /nfs/dbraw/zinc/75/92/74/395759274.db2.gz RSDWICRAUKXYMG-LBPRGKRZSA-N 1 0 315.414 0.740 50 0 DCAARO O=C(CCn1cncn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048481739 395815639 /nfs/dbraw/zinc/81/56/39/395815639.db2.gz QVBKFMAZGZVZAG-UHFFFAOYSA-N 1 0 307.398 0.239 50 0 DCAARO O=c1[nH]c2ccccc2n1C1CCN(C[C@]2(O)CC[NH2+]C2)CC1 ZINC000072430585 296525457 /nfs/dbraw/zinc/52/54/57/296525457.db2.gz WUDVLQGDXUIFNP-KRWDZBQOSA-N 1 0 316.405 0.691 50 0 DCAARO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC000221946033 395851372 /nfs/dbraw/zinc/85/13/72/395851372.db2.gz ZDQYAIQNQOZSQV-BFYDXBDKSA-N 1 0 314.470 0.846 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc(CC(C)C)nc(=O)[nH]1 ZINC000223498601 395855440 /nfs/dbraw/zinc/85/54/40/395855440.db2.gz DCUDZXNXSQMNOS-KBPBESRZSA-N 1 0 322.409 0.417 50 0 DCAARO Cc1cc(N2CCN(CC(=O)N3CCCCC3)CC2)nc(N)[nH+]1 ZINC000054104328 395893886 /nfs/dbraw/zinc/89/38/86/395893886.db2.gz TUZSYUPAYIQCKQ-UHFFFAOYSA-N 1 0 318.425 0.502 50 0 DCAARO CC(C)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc2c(c1)OCO2 ZINC000236676830 395895649 /nfs/dbraw/zinc/89/56/49/395895649.db2.gz HKEHHVVMOOIHOD-NEPJUHHUSA-N 1 0 306.362 0.532 50 0 DCAARO Cc1cccc([C@@H](CC(=O)N2CC[NH2+]C[C@@H]2C)NC(N)=O)c1 ZINC000125781995 395905696 /nfs/dbraw/zinc/90/56/96/395905696.db2.gz ZPTPZBRQMRUUMJ-GXTWGEPZSA-N 1 0 304.394 0.915 50 0 DCAARO CCCCN(CCCCO)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055153613 395912211 /nfs/dbraw/zinc/91/22/11/395912211.db2.gz JITXKWLBDLDVOB-AWEZNQCLSA-N 1 0 313.442 0.585 50 0 DCAARO O=C(CC[NH+]1CCN(CCO)CC1)N1CCc2sccc2C1 ZINC000055897528 395923248 /nfs/dbraw/zinc/92/32/48/395923248.db2.gz NFFDOTGIMREODP-UHFFFAOYSA-N 1 0 323.462 0.633 50 0 DCAARO C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000119585287 395873131 /nfs/dbraw/zinc/87/31/31/395873131.db2.gz ZNOGTDSTDOJKAD-VOAKCMCISA-N 1 0 302.440 0.847 50 0 DCAARO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000052961048 395874445 /nfs/dbraw/zinc/87/44/45/395874445.db2.gz DILJFTNDIFEYAE-JQWIXIFHSA-N 1 0 307.419 0.829 50 0 DCAARO C[NH+](C)[C@H]1CCN(CC(=O)NCc2cnc3c(c2)CCC3)C1 ZINC000252502575 396021964 /nfs/dbraw/zinc/02/19/64/396021964.db2.gz UQZYIMYVQFNMMY-HNNXBMFYSA-N 1 0 302.422 0.822 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@H](C)[NH2+]1 ZINC000153980141 396028397 /nfs/dbraw/zinc/02/83/97/396028397.db2.gz MSIPXUBWBAFYHE-UWVGGRQHSA-N 1 0 315.395 0.151 50 0 DCAARO Cc1c(O)cccc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067775014 396033033 /nfs/dbraw/zinc/03/30/33/396033033.db2.gz KOGQZZFIPUFHAD-AAEUAGOBSA-N 1 0 305.378 0.767 50 0 DCAARO COC(=O)CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)cn1 ZINC000067757618 396033328 /nfs/dbraw/zinc/03/33/28/396033328.db2.gz RORRNUHYWJFGMV-KGLIPLIRSA-N 1 0 320.393 0.641 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(OC)c(OC)c1 ZINC000067805839 396033870 /nfs/dbraw/zinc/03/38/70/396033870.db2.gz DEBDNKLMUCWUGU-NEPJUHHUSA-N 1 0 321.377 0.382 50 0 DCAARO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccn[nH]1 ZINC000257177796 396034526 /nfs/dbraw/zinc/03/45/26/396034526.db2.gz BJNXOWIJEQFATG-DZGCQCFKSA-N 1 0 300.362 0.632 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1csc2c1CCCC2 ZINC000067921721 396039123 /nfs/dbraw/zinc/03/91/23/396039123.db2.gz JQIQCIBJRMOXEA-SKDRFNHKSA-N 1 0 307.419 0.915 50 0 DCAARO COC1CCC(C(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)CC1 ZINC000067965555 396040790 /nfs/dbraw/zinc/04/07/90/396040790.db2.gz KUSJEQSLAOBXSP-HHTDUIENSA-N 1 0 311.426 0.644 50 0 DCAARO COc1cccc(CNC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000069840889 396091935 /nfs/dbraw/zinc/09/19/35/396091935.db2.gz UXPJTAZZBDUODS-XJKSGUPXSA-N 1 0 321.421 0.620 50 0 DCAARO COc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000069844282 396092230 /nfs/dbraw/zinc/09/22/30/396092230.db2.gz OESQHUFATLYIBF-OCCSQVGLSA-N 1 0 319.405 0.897 50 0 DCAARO C[NH+](C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)C1CC=CC1 ZINC000169790990 396093400 /nfs/dbraw/zinc/09/34/00/396093400.db2.gz JNFJBAXLPGCISC-HUUCEWRRSA-N 1 0 315.421 0.925 50 0 DCAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CN1CSCC1=O ZINC000069899246 396094862 /nfs/dbraw/zinc/09/48/62/396094862.db2.gz BHIDCZJPTIGXIO-STQMWFEESA-N 1 0 311.451 0.995 50 0 DCAARO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000069951653 396096642 /nfs/dbraw/zinc/09/66/42/396096642.db2.gz KRUALKYMSVWOBP-FZMZJTMJSA-N 1 0 318.377 0.933 50 0 DCAARO CCn1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000170660658 396097197 /nfs/dbraw/zinc/09/71/97/396097197.db2.gz JHRBPXXVKMMQPH-AWEZNQCLSA-N 1 0 319.409 0.928 50 0 DCAARO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCCO2 ZINC000071397555 396113185 /nfs/dbraw/zinc/11/31/85/396113185.db2.gz UWINAYZUHJGLHJ-NSHDSACASA-N 1 0 312.391 0.878 50 0 DCAARO CCc1c(C)cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](OC)C2)c(=O)n1C ZINC000071614061 396114604 /nfs/dbraw/zinc/11/46/04/396114604.db2.gz DZMCVQZTLMHLCU-OCCSQVGLSA-N 1 0 307.394 0.444 50 0 DCAARO Cc1nc(CN2CCC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)no1 ZINC000071870636 396120276 /nfs/dbraw/zinc/12/02/76/396120276.db2.gz MSOXKTBXCSFBGY-GFCCVEGCSA-N 1 0 316.427 0.367 50 0 DCAARO CCS(=O)(=O)NCC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000071907829 396124152 /nfs/dbraw/zinc/12/41/52/396124152.db2.gz KBICVXTVYQFIDS-OAHLLOKOSA-N 1 0 312.435 0.908 50 0 DCAARO Cc1c(C(=O)NCCC[NH+]2CCC(C(N)=O)CC2)cnn1C ZINC000069414922 396077507 /nfs/dbraw/zinc/07/75/07/396077507.db2.gz WFQATDVOXNSRHO-UHFFFAOYSA-N 1 0 307.398 0.046 50 0 DCAARO C[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCN1Cc1nccn1C ZINC000069455102 396078672 /nfs/dbraw/zinc/07/86/72/396078672.db2.gz MKYCNWYWZDMQHZ-GJZGRUSLSA-N 1 0 318.425 0.184 50 0 DCAARO O=C(CN1CCc2cncnc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000069463913 396079501 /nfs/dbraw/zinc/07/95/01/396079501.db2.gz SOLWQZMLLDWCOI-UHFFFAOYSA-N 1 0 315.421 0.578 50 0 DCAARO C[NH+]1CCN(CCNC(=O)[C@H]2CSc3ccccc3O2)CC1 ZINC000069513267 396081272 /nfs/dbraw/zinc/08/12/72/396081272.db2.gz UWMWFYDZLAOSRO-CQSZACIVSA-N 1 0 321.446 0.903 50 0 DCAARO C[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)[NH+]1CCCC1 ZINC000069529417 396082216 /nfs/dbraw/zinc/08/22/16/396082216.db2.gz WDMNCSJIESQITE-GFCCVEGCSA-N 1 0 300.366 0.876 50 0 DCAARO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3ccccc3C2)CC1=O ZINC000074164358 396159332 /nfs/dbraw/zinc/15/93/32/396159332.db2.gz YTOGYDKPTSUMRJ-INIZCTEOSA-N 1 0 315.417 0.981 50 0 DCAARO CC1(C)CN(CC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000078516910 396246785 /nfs/dbraw/zinc/24/67/85/396246785.db2.gz VQPRDGOWCGQLGY-UHFFFAOYSA-N 1 0 304.394 0.778 50 0 DCAARO Cn1nc2c(cc1=O)C[N@@H+](C[C@H](O)COCc1ccco1)CC2 ZINC000078616205 396249396 /nfs/dbraw/zinc/24/93/96/396249396.db2.gz FXZNPWLYKALJHN-ZDUSSCGKSA-N 1 0 319.361 0.309 50 0 DCAARO C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1[NH+](C)C ZINC000078896475 396257379 /nfs/dbraw/zinc/25/73/79/396257379.db2.gz JQOSDVFQIFTQME-VXGBXAGGSA-N 1 0 302.440 0.752 50 0 DCAARO O[C@]1(C[NH+]2CCC(OCc3ccccn3)CC2)CNCCOC1 ZINC000077357664 396219311 /nfs/dbraw/zinc/21/93/11/396219311.db2.gz FNGLIJILJSXZCP-KRWDZBQOSA-N 1 0 321.421 0.414 50 0 DCAARO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077376326 396220198 /nfs/dbraw/zinc/22/01/98/396220198.db2.gz DKLVSJXMUCGMET-ZDUSSCGKSA-N 1 0 321.425 0.063 50 0 DCAARO CSCCC[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC000077375925 396220211 /nfs/dbraw/zinc/22/02/11/396220211.db2.gz NOQAOKWTIALMQV-ZIAGYGMSSA-N 1 0 309.435 1.000 50 0 DCAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1nc(-c2ccccc2)no1 ZINC000077439326 396222266 /nfs/dbraw/zinc/22/22/66/396222266.db2.gz JDAGQPHCKQUYAH-STQMWFEESA-N 1 0 316.361 0.772 50 0 DCAARO O=C(Cc1ccc(N2CCNC2=O)cc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000077489922 396224365 /nfs/dbraw/zinc/22/43/65/396224365.db2.gz APARPRFYNRDPON-DZGCQCFKSA-N 1 0 314.389 0.579 50 0 DCAARO O[C@@]1(C[NH+]2CCCC2)COCCN(c2ncnc3[nH]ccc32)C1 ZINC000077503989 396224713 /nfs/dbraw/zinc/22/47/13/396224713.db2.gz WFCDQUHOAVJUKM-MRXNPFEDSA-N 1 0 317.393 0.621 50 0 DCAARO Cn1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000077760532 396231068 /nfs/dbraw/zinc/23/10/68/396231068.db2.gz KIIMAFPKMQLNCU-GFCCVEGCSA-N 1 0 305.382 0.445 50 0 DCAARO COc1ccc(CC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000584898239 396635866 /nfs/dbraw/zinc/63/58/66/396635866.db2.gz HSABMKBGSNPFCP-HOTGVXAUSA-N 1 0 304.390 0.905 50 0 DCAARO O=C(CN1CCCCC1=O)NCCC[N@H+]1CCCC[C@H]1CO ZINC000584900794 396636271 /nfs/dbraw/zinc/63/62/71/396636271.db2.gz XUWGIDJCEYDMLE-AWEZNQCLSA-N 1 0 311.426 0.352 50 0 DCAARO CN1CCN(C(=O)c2cc(Cl)cc(F)c2N)C[C@H]1CO ZINC000585134338 396640621 /nfs/dbraw/zinc/64/06/21/396640621.db2.gz OCXYIQSHOUSSJV-VIFPVBQESA-N 1 0 301.749 0.810 50 0 DCAARO Cn1cccc(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1=O ZINC000299770363 396714474 /nfs/dbraw/zinc/71/44/74/396714474.db2.gz SFHBEEPMJZDDAK-KBPBESRZSA-N 1 0 301.350 0.323 50 0 DCAARO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cnnn1C ZINC000330031248 396853025 /nfs/dbraw/zinc/85/30/25/396853025.db2.gz SWWCFCPHBQGFEJ-RYUDHWBXSA-N 1 0 307.377 0.251 50 0 DCAARO CNS(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000390834620 397302743 /nfs/dbraw/zinc/30/27/43/397302743.db2.gz ITRYVPLQSHASQG-UHFFFAOYSA-N 1 0 313.423 0.715 50 0 DCAARO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000261975016 158760846 /nfs/dbraw/zinc/76/08/46/158760846.db2.gz NPUQXUGZOARWOG-QWRGUYRKSA-N 1 0 316.361 0.298 50 0 DCAARO COC(=O)C1[C@@H](c2c[nH]c3ccccc32)[C@@H](C(=O)OC)O[N+]1=O ZINC000000192327 415125495 /nfs/dbraw/zinc/12/54/95/415125495.db2.gz GGDHLOFDJQLUTD-YPMHNXCESA-N 1 0 318.285 0.863 50 0 DCAARO COc1ccc(C[NH2+]CCNC(=O)c2nonc2N)c(OC)c1 ZINC000004998060 415127681 /nfs/dbraw/zinc/12/76/81/415127681.db2.gz VDIJKJWMLXXAFG-UHFFFAOYSA-N 1 0 321.337 0.189 50 0 DCAARO C[N@@H+]1CCC[C@](O)(CN2CCN(C(=O)c3ccco3)CC2)C1 ZINC000046087396 415257002 /nfs/dbraw/zinc/25/70/02/415257002.db2.gz YQAKFOXNQHSHEP-MRXNPFEDSA-N 1 0 307.394 0.494 50 0 DCAARO CC(C)[C@@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)[NH+](C)C ZINC000044870157 415228608 /nfs/dbraw/zinc/22/86/08/415228608.db2.gz GVTVUWKGVHZKNS-CHWSQXEVSA-N 1 0 319.471 0.503 50 0 DCAARO CC(=O)N[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000048355665 415289512 /nfs/dbraw/zinc/28/95/12/415289512.db2.gz XRKDFMZYIWIQEC-HUUCEWRRSA-N 1 0 313.442 0.620 50 0 DCAARO CCOCCn1nc(C)cc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000072149435 415408238 /nfs/dbraw/zinc/40/82/38/415408238.db2.gz HUJAROANDNHGTG-INIZCTEOSA-N 1 0 324.425 0.367 50 0 DCAARO CN(C)C(=O)c1cc2c(s1)CCN(C[C@]1(O)CCC[NH2+]C1)C2 ZINC000072425751 415412952 /nfs/dbraw/zinc/41/29/52/415412952.db2.gz DDDBCKQXBPMTHO-INIZCTEOSA-N 1 0 323.462 0.923 50 0 DCAARO CS(=O)(=O)c1cnc(N2CCCC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072478788 415415745 /nfs/dbraw/zinc/41/57/45/415415745.db2.gz HGCRXJNUTMLAFH-LLVKDONJSA-N 1 0 310.423 0.947 50 0 DCAARO C[N@H+](CCO)C[C@@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067947884 415387944 /nfs/dbraw/zinc/38/79/44/415387944.db2.gz UQCXZATYZCYCKD-KRWDZBQOSA-N 1 0 306.406 0.507 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2ccncc2)CC[N@@H+]1C[C@@H](C)O ZINC000084736456 415502610 /nfs/dbraw/zinc/50/26/10/415502610.db2.gz FCYLWKNIXXQWKE-UKRRQHHQSA-N 1 0 306.410 0.797 50 0 DCAARO C[N@@H+]1CCN(Cc2cccnc2N)C[C@]12CCNC(=O)CC2 ZINC000095355427 415554204 /nfs/dbraw/zinc/55/42/04/415554204.db2.gz RXFKTNBKWXLCTO-INIZCTEOSA-N 1 0 303.410 0.450 50 0 DCAARO CC[NH+](CC)CCn1cc(NC(=O)[C@H]2CC(=O)N(C)C2)cn1 ZINC000095955509 415564829 /nfs/dbraw/zinc/56/48/29/415564829.db2.gz YRRDGCVWPFPTBQ-LBPRGKRZSA-N 1 0 307.398 0.642 50 0 DCAARO CC[C@@H]1CN(CC(=O)NCC(F)(F)F)CC[N@@H+]1C[C@H](C)O ZINC000106868202 415650897 /nfs/dbraw/zinc/65/08/97/415650897.db2.gz UYPNRTYUCDYNGY-WDEREUQCSA-N 1 0 311.348 0.442 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C1 ZINC000132757737 415935954 /nfs/dbraw/zinc/93/59/54/415935954.db2.gz YNHQOWLILMPDKJ-MRZGDXHCSA-N 1 0 317.389 0.774 50 0 DCAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CSc1nncn1C ZINC000299761655 416064632 /nfs/dbraw/zinc/06/46/32/416064632.db2.gz MOXMTKIMYGGJPP-QWRGUYRKSA-N 1 0 313.427 0.131 50 0 DCAARO NC(=O)NCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299767003 416065924 /nfs/dbraw/zinc/06/59/24/416065924.db2.gz AAHZISHWJPNMOH-CQSZACIVSA-N 1 0 304.394 0.683 50 0 DCAARO CC(=O)N[C@@H]1CCN(C(=O)c2ccc(OCCC[NH3+])cc2)C1 ZINC000299776170 416068434 /nfs/dbraw/zinc/06/84/34/416068434.db2.gz KQQQKAXDUMAXHN-CQSZACIVSA-N 1 0 305.378 0.765 50 0 DCAARO Cc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1S(N)(=O)=O ZINC000179160720 416183068 /nfs/dbraw/zinc/18/30/68/416183068.db2.gz XCYQNDPLWLUBFE-QWRGUYRKSA-N 1 0 311.407 0.465 50 0 DCAARO COC(=O)[C@H]1C[C@H](O)CN1Cc1cccc(-n2cccn2)c1 ZINC000195578125 416326754 /nfs/dbraw/zinc/32/67/54/416326754.db2.gz DDGYNJBPQVVMSH-LSDHHAIUSA-N 1 0 301.346 0.981 50 0 DCAARO CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@@H]([NH3+])CCC(N)=O ZINC000243932726 416330252 /nfs/dbraw/zinc/33/02/52/416330252.db2.gz BYPSAVAZRDQSFA-VIFPVBQESA-N 1 0 323.784 0.768 50 0 DCAARO CCOCCN1CCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)CC1 ZINC000243956724 416330460 /nfs/dbraw/zinc/33/04/60/416330460.db2.gz CCQGTTHJKIXFCV-HDJSIYSDSA-N 1 0 322.457 0.174 50 0 DCAARO O=C(Cn1ccc(=O)cc1)N[C@H]([C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000244748651 416330680 /nfs/dbraw/zinc/33/06/80/416330680.db2.gz OLSKAYOIMZHRPF-LXZKKBNFSA-N 1 0 319.405 0.104 50 0 DCAARO CCCC[C@@H]([NH3+])C(=O)N1CCC(c2nnc(CO)n2C)CC1 ZINC000244723751 416330868 /nfs/dbraw/zinc/33/08/68/416330868.db2.gz MGRZTJIYAOMPDK-GFCCVEGCSA-N 1 0 309.414 0.531 50 0 DCAARO Cc1cc(N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)nc(N)[nH+]1 ZINC000426589002 416779257 /nfs/dbraw/zinc/77/92/57/416779257.db2.gz LUTYNLMHCOCGBJ-VXGBXAGGSA-N 1 0 320.422 0.293 50 0 DCAARO Cn1nc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000408383761 417158297 /nfs/dbraw/zinc/15/82/97/417158297.db2.gz XQSHJQKZFRDMBX-SECBINFHSA-N 1 0 315.324 1.333 50 0 DCAARO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000299742009 229378718 /nfs/dbraw/zinc/37/87/18/229378718.db2.gz AQIDCCPOESLJME-JFGNBEQYSA-N 1 0 310.785 0.153 50 0 DCAARO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCCNS(C)(=O)=O ZINC000089919301 277388769 /nfs/dbraw/zinc/38/87/69/277388769.db2.gz ILNYIEBUZQTOQJ-YPMHNXCESA-N 1 0 306.428 0.637 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000096118129 279313003 /nfs/dbraw/zinc/31/30/03/279313003.db2.gz GERXNURKBQFOMK-CABCVRRESA-N 1 0 314.393 0.863 50 0 DCAARO Cn1ccnc1CN1CCN(C(=O)[C@@H]2CCCCC[N@@H+]2C)CC1 ZINC000091254676 279373991 /nfs/dbraw/zinc/37/39/91/279373991.db2.gz WYYLKYFIOPNCRT-HNNXBMFYSA-N 1 0 319.453 0.939 50 0 DCAARO CN(C)C(=O)c1cc2c(s1)CCN(C[C@@]1(O)CCC[NH2+]C1)C2 ZINC000072425752 282002634 /nfs/dbraw/zinc/00/26/34/282002634.db2.gz DDDBCKQXBPMTHO-MRXNPFEDSA-N 1 0 323.462 0.923 50 0 DCAARO C[NH+](C)C1(CNC(=O)C(=O)Nc2c[nH]ccc2=O)CCCCC1 ZINC000044901266 282028398 /nfs/dbraw/zinc/02/83/98/282028398.db2.gz CPPSPPJJHOFNCI-UHFFFAOYSA-N 1 0 320.393 0.694 50 0 DCAARO CNC(=O)CN1CC[NH+](C[C@@]2(c3ccccc3)CCOC2)CC1 ZINC000216131890 290429271 /nfs/dbraw/zinc/42/92/71/290429271.db2.gz POHYGADASLWJBJ-SFHVURJKSA-N 1 0 317.433 0.708 50 0 DCAARO [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCCCn3nnnc32)cc1 ZINC000097076229 303432102 /nfs/dbraw/zinc/43/21/02/303432102.db2.gz VFNNDIUEZQMFIU-CYBMUJFWSA-N 1 0 300.366 0.716 50 0 DCAARO CCn1nc(C)cc1S(=O)(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000534641425 334311299 /nfs/dbraw/zinc/31/12/99/334311299.db2.gz REFOUYFLYVNPQR-GFCCVEGCSA-N 1 0 300.428 0.832 50 0 DCAARO COCC1(CNC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)CCCC1 ZINC000534660599 334313832 /nfs/dbraw/zinc/31/38/32/334313832.db2.gz ZLDSECOYPOYQBS-CYBMUJFWSA-N 1 0 311.426 0.507 50 0 DCAARO CN(Cc1ccoc1)C(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000534675027 334319549 /nfs/dbraw/zinc/31/95/49/334319549.db2.gz NNDZRMORWYMEBV-UHFFFAOYSA-N 1 0 318.381 0.049 50 0 DCAARO Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)Cn3cccn3)C2)nn1 ZINC000095373368 337377836 /nfs/dbraw/zinc/37/78/36/337377836.db2.gz FAPYZMQGWRUMMQ-GJZGRUSLSA-N 1 0 316.409 0.601 50 0 DCAARO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)nn1 ZINC000108075647 337383265 /nfs/dbraw/zinc/38/32/65/337383265.db2.gz FAPYZMQGWRUMMQ-HUUCEWRRSA-N 1 0 316.409 0.601 50 0 DCAARO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000156112996 525265504 /nfs/dbraw/zinc/26/55/04/525265504.db2.gz BZAAVLPFCIGYBW-JTQLQIEISA-N 1 0 318.420 0.202 50 0 DCAARO NC(=O)COc1ccc(/C=C/C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000157694583 526890742 /nfs/dbraw/zinc/89/07/42/526890742.db2.gz MVUWTNSATVFCFI-LJLILKBBSA-N 1 0 303.362 0.514 50 0 DCAARO Cc1nn(CC[NH2+]C[C@]2(O)CNCCOC2)c(C)c1Cl ZINC000077518252 545679388 /nfs/dbraw/zinc/67/93/88/545679388.db2.gz PJQPCWORWXKWIZ-ZDUSSCGKSA-N 1 0 302.806 0.094 50 0 DCAARO CC(=O)N1CCCN([C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C)CC1 ZINC000084714467 545702676 /nfs/dbraw/zinc/70/26/76/545702676.db2.gz BJDOVCPLBYQGOR-HOCLYGCPSA-N 1 0 320.441 0.153 50 0 DCAARO CC[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1[NH+](C)C ZINC000084735522 545702791 /nfs/dbraw/zinc/70/27/91/545702791.db2.gz ZPJLDBKTIZFZKH-NWDGAFQWSA-N 1 0 310.398 0.117 50 0 DCAARO Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CC[NH2+]2)cc1 ZINC000670433933 547087980 /nfs/dbraw/zinc/08/79/80/547087980.db2.gz RBKLDFJSRPTYPT-ZDUSSCGKSA-N 1 0 311.407 0.142 50 0 DCAARO O=C(CN1CCCC1=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000670437057 547090167 /nfs/dbraw/zinc/09/01/67/547090167.db2.gz BXDFGDAVBMADPD-HNNXBMFYSA-N 1 0 323.437 0.712 50 0 DCAARO C[N@H+](C[C@@H](O)Cn1cccn1)C[C@H]1CCCN1c1cccnn1 ZINC000257365036 563595259 /nfs/dbraw/zinc/59/52/59/563595259.db2.gz PEUZKZHFKNOAHV-HUUCEWRRSA-N 1 0 316.409 0.635 50 0 DCAARO NC(=O)[C@@H]1CCCN(C(=O)CN(Cc2ccccn2)C2CC2)C1 ZINC000181367192 659175614 /nfs/dbraw/zinc/17/56/14/659175614.db2.gz NOWOCWYVCGRWBS-CYBMUJFWSA-N 1 0 316.405 0.770 50 0 DCAARO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)c1nc(C)c[nH]1 ZINC000952963577 685598456 /nfs/dbraw/zinc/59/84/56/685598456.db2.gz JCWDBCSCZKJVMX-NEPJUHHUSA-N 1 0 307.398 0.483 50 0 DCAARO CSCC[NH+]1CCC(NC(=O)[C@@H](C)Cn2cncn2)CC1 ZINC000952971786 685600449 /nfs/dbraw/zinc/60/04/49/685600449.db2.gz XXLWWCSLIPIODR-LBPRGKRZSA-N 1 0 311.455 0.858 50 0 DCAARO CC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccccc3OC)CN2C1=O ZINC000014749847 685048619 /nfs/dbraw/zinc/04/86/19/685048619.db2.gz BLAXVIWNEONYFE-IHRRRGAJSA-N 1 0 317.389 0.663 50 0 DCAARO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(CO)CO)C2)c(C)c1 ZINC000067723978 685068947 /nfs/dbraw/zinc/06/89/47/685068947.db2.gz OUFZSKSCMZFNMC-AWEZNQCLSA-N 1 0 306.406 0.708 50 0 DCAARO COC[C@H](Nc1ncnc2c1CC[NH2+]CC2)c1ccnn1C ZINC000072436591 685075876 /nfs/dbraw/zinc/07/58/76/685075876.db2.gz CVFXGNKDMORNQI-ZDUSSCGKSA-N 1 0 302.382 0.698 50 0 DCAARO CN(C)Cc1noc(CN2CCC([N@@H+]3CCC[C@H](O)C3)CC2)n1 ZINC000244695580 685155667 /nfs/dbraw/zinc/15/56/67/685155667.db2.gz JPBGRAUXAHLUOC-AWEZNQCLSA-N 1 0 323.441 0.552 50 0 DCAARO CC(C)(C)[C@@H](C[NH+]1CCCC1)NC(=O)c1cnc(C(N)=O)cn1 ZINC001772702974 1157841513 /nfs/dbraw/zinc/84/15/13/1157841513.db2.gz YKJSZMSXTDWVSL-CYBMUJFWSA-N 1 0 319.409 0.816 50 0 DCAARO CCc1cc(N[C@@H]2C[NH2+][C@H](C(=O)[O-])C2)nc(N2CCOCC2)[nH+]1 ZINC001772705165 1157843959 /nfs/dbraw/zinc/84/39/59/1157843959.db2.gz PWROVXKCWKQYIP-RYUDHWBXSA-N 1 0 321.381 0.103 50 0 DCAARO CN(CC(=O)N1C[C@H]2COC[C@@H]1C[N@H+](C)C2)Cc1ccncc1 ZINC001704313063 1179968717 /nfs/dbraw/zinc/96/87/17/1179968717.db2.gz MEBNVZGYTCGZSB-HOTGVXAUSA-N 1 0 318.421 0.302 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1scc3c1OCCO3)C2 ZINC001704314914 1179970708 /nfs/dbraw/zinc/97/07/08/1179970708.db2.gz YCXQNHYEYYQIII-QWRGUYRKSA-N 1 0 324.402 0.922 50 0 DCAARO O=S(=O)(N1CCCC1)N1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000828388621 759002609 /nfs/dbraw/zinc/00/26/09/759002609.db2.gz OGGAQSRUTOQPOO-AWEZNQCLSA-N 1 0 317.455 0.371 50 0 DCAARO Cc1cnccc1C(=O)NCC1CC[NH+](C[C@@H](O)CO)CC1 ZINC000828655307 759055649 /nfs/dbraw/zinc/05/56/49/759055649.db2.gz OXSAEJAHQOEZLS-CQSZACIVSA-N 1 0 307.394 0.185 50 0 DCAARO O=C(NCCC[N@H+]1CCCC[C@@H]1CO)C(=O)Nc1ccccc1 ZINC000828711000 759074086 /nfs/dbraw/zinc/07/40/86/759074086.db2.gz WDMISTZGTYROKW-OAHLLOKOSA-N 1 0 319.405 0.978 50 0 DCAARO O=S(=O)(CC1CCCC1)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000828711183 759074439 /nfs/dbraw/zinc/07/44/39/759074439.db2.gz NRFCWRNKHYESTE-CQSZACIVSA-N 1 0 304.456 0.800 50 0 DCAARO O=C(c1n[nH]c2ccccc21)N1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000581800950 760250843 /nfs/dbraw/zinc/25/08/43/760250843.db2.gz NDRIONHBEQQLET-GFCCVEGCSA-N 1 0 314.389 0.997 50 0 DCAARO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000585121117 766286752 /nfs/dbraw/zinc/28/67/52/766286752.db2.gz GLBREAZSHWFBRJ-JJRVBVJISA-N 1 0 323.437 0.206 50 0 DCAARO CC(C)Oc1cc(N2CC[C@@H](N3CC[NH+](C)CC3)C2)nc(N)n1 ZINC001506398250 1017252118 /nfs/dbraw/zinc/25/21/18/1017252118.db2.gz OARPCQFXVOOVTC-CYBMUJFWSA-N 1 0 320.441 0.672 50 0 DCAARO O=C(NCC1CC[NH+](CCn2cnnc2)CC1)c1ccncc1 ZINC001506423226 1017265739 /nfs/dbraw/zinc/26/57/39/1017265739.db2.gz GIWQMFDCKFDMOT-UHFFFAOYSA-N 1 0 314.393 0.815 50 0 DCAARO C[NH+](C)CCCNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000065437567 282086418 /nfs/dbraw/zinc/08/64/18/282086418.db2.gz XUUHFKQVZSYNBE-GFCCVEGCSA-N 1 0 320.459 0.051 50 0 DCAARO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)NCc1ccco1 ZINC000079099490 185158450 /nfs/dbraw/zinc/15/84/50/185158450.db2.gz XCCCOZLMWLDUFA-RISCZKNCSA-N 1 0 320.393 0.678 50 0 DCAARO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccon1 ZINC000095431040 185363081 /nfs/dbraw/zinc/36/30/81/185363081.db2.gz VZPKMDRRWUCVAG-CQSZACIVSA-N 1 0 301.346 0.824 50 0 DCAARO COc1ccccc1COC[C@H](O)C[NH+]1CCN(CCO)CC1 ZINC000083980370 192393628 /nfs/dbraw/zinc/39/36/28/192393628.db2.gz UTUGYYYYTPWGSM-MRXNPFEDSA-N 1 0 324.421 0.183 50 0 DCAARO CCNC(=O)c1ccc(N2CCO[C@H](CC[NH+](C)C)C2)nc1 ZINC000071748261 191020432 /nfs/dbraw/zinc/02/04/32/191020432.db2.gz RPKRPULAUDNANA-CQSZACIVSA-N 1 0 306.410 0.988 50 0 DCAARO Cc1c(Cl)c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)nn1C ZINC000072149940 191056448 /nfs/dbraw/zinc/05/64/48/191056448.db2.gz UQPIIUNFJZBGPW-AWEZNQCLSA-N 1 0 314.817 0.911 50 0 DCAARO CN1CC2(CCN(Cc3cc4n(n3)CCC[NH2+]C4)CC2)OC1=O ZINC000072157445 191061435 /nfs/dbraw/zinc/06/14/35/191061435.db2.gz IMMZQDZGRFUFIB-UHFFFAOYSA-N 1 0 319.409 0.793 50 0 DCAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000237459561 186292847 /nfs/dbraw/zinc/29/28/47/186292847.db2.gz BLJIBDPZMVOHPD-GWCFXTLKSA-N 1 0 311.407 0.676 50 0 DCAARO Cn1cc([C@@H](O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000253404943 186307561 /nfs/dbraw/zinc/30/75/61/186307561.db2.gz WMMXNLWBPGIQIB-DZGCQCFKSA-N 1 0 322.409 0.024 50 0 DCAARO c1cn(CCN2CCOCC2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072429027 191161155 /nfs/dbraw/zinc/16/11/55/191161155.db2.gz JMZZZGHFOVCSHP-UHFFFAOYSA-N 1 0 316.409 0.572 50 0 DCAARO [NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)C3CCOCC3)CC[C@H]21 ZINC000072475780 191176627 /nfs/dbraw/zinc/17/66/27/191176627.db2.gz HBUHBFDZEQJXNM-UONOGXRCSA-N 1 0 309.410 0.211 50 0 DCAARO CCN1CCO[C@@H](C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000075133686 191428900 /nfs/dbraw/zinc/42/89/00/191428900.db2.gz JSMCZLQWOAJVGI-HNNXBMFYSA-N 1 0 305.426 0.887 50 0 DCAARO CN(C)C(=O)COc1ccccc1C[NH2+]CC1(O)CCOCC1 ZINC000237160551 202171445 /nfs/dbraw/zinc/17/14/45/202171445.db2.gz BKJUIMTXTMERNE-UHFFFAOYSA-N 1 0 322.405 0.785 50 0 DCAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)[nH]n1 ZINC000179122484 198986563 /nfs/dbraw/zinc/98/65/63/198986563.db2.gz PZCYWAMKWGNMFA-LLVKDONJSA-N 1 0 302.382 0.861 50 0 DCAARO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)N1CCCCC1 ZINC000158900686 237070132 /nfs/dbraw/zinc/07/01/32/237070132.db2.gz NIZUOANUIPKOKW-CYBMUJFWSA-N 1 0 305.444 0.154 50 0 DCAARO C[C@@H]1CN(C(=O)Cc2csc(N3CCCNC3=O)n2)CC[NH2+]1 ZINC000237596017 202296597 /nfs/dbraw/zinc/29/65/97/202296597.db2.gz CTUDECUMYLRJDR-SNVBAGLBSA-N 1 0 323.422 0.426 50 0 DCAARO O=C(NCCOc1ncc(Cl)cc1Cl)[C@H]1C[NH2+]CCO1 ZINC000188274881 200220315 /nfs/dbraw/zinc/22/03/15/200220315.db2.gz OEGIUVARLJUTJR-SNVBAGLBSA-N 1 0 320.176 0.872 50 0 DCAARO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000006669691 181368724 /nfs/dbraw/zinc/36/87/24/181368724.db2.gz OQUXNYAJNVPOOX-CQSZACIVSA-N 1 0 315.373 0.511 50 0 DCAARO COCC[C@]1(CO)CCC[N@H+](Cc2cn(CCO)nc2C)C1 ZINC000091646124 193084962 /nfs/dbraw/zinc/08/49/62/193084962.db2.gz ISIMAVRQOUNGAH-MRXNPFEDSA-N 1 0 311.426 0.795 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1CO ZINC000091656955 193085891 /nfs/dbraw/zinc/08/58/91/193085891.db2.gz AXVLEBGRNWPBND-CHWSQXEVSA-N 1 0 310.398 0.108 50 0 DCAARO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020726339 182244492 /nfs/dbraw/zinc/24/44/92/182244492.db2.gz UUAGDHGGLSMAPD-UHFFFAOYSA-N 1 0 317.842 0.866 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)on2)CC1 ZINC000023127337 182349361 /nfs/dbraw/zinc/34/93/61/182349361.db2.gz LHHKCRFSEPNJJL-UHFFFAOYSA-N 1 0 324.381 0.396 50 0 DCAARO C[NH+](C)[C@@H](CNC(=O)CN1C(=O)CCC1=O)c1cccs1 ZINC000038628944 183004437 /nfs/dbraw/zinc/00/44/37/183004437.db2.gz JIDDAHKPJVFQEO-JTQLQIEISA-N 1 0 309.391 0.616 50 0 DCAARO COc1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc2c1OCO2 ZINC000042187538 183238798 /nfs/dbraw/zinc/23/87/98/183238798.db2.gz FMEPWBNPZHPWNS-SNVBAGLBSA-N 1 0 313.375 0.948 50 0 DCAARO COc1cc(F)c(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1OC ZINC000053254701 183895754 /nfs/dbraw/zinc/89/57/54/183895754.db2.gz JWPBIDZOAMZPLT-SECBINFHSA-N 1 0 318.370 0.873 50 0 DCAARO C[N@@H+]1C[C@H](NC(=O)c2cn3cc(Cl)ccc3n2)C[C@H]1CO ZINC000065395827 184335070 /nfs/dbraw/zinc/33/50/70/184335070.db2.gz UJLXONACGGLQTL-MNOVXSKESA-N 1 0 308.769 0.783 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2nncn2C)CC1 ZINC000065437108 184345663 /nfs/dbraw/zinc/34/56/63/184345663.db2.gz VAHIYZPMFWIKAL-LBPRGKRZSA-N 1 0 310.402 0.240 50 0 DCAARO C[C@H](Cn1ccnc1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000065452691 184346539 /nfs/dbraw/zinc/34/65/39/184346539.db2.gz MUPUTXDNOYWARH-ZIAGYGMSSA-N 1 0 309.414 0.418 50 0 DCAARO Cn1ccn2ncc(C(=O)NC[C@H](O)C[NH+]3CCCCCC3)c12 ZINC000065469024 184350797 /nfs/dbraw/zinc/35/07/97/184350797.db2.gz WMCSECOESYYZDP-ZDUSSCGKSA-N 1 0 319.409 0.640 50 0 DCAARO CC[N@H+](C)CCNC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000065403862 184337422 /nfs/dbraw/zinc/33/74/22/184337422.db2.gz JXGGSHJEENZZPD-UHFFFAOYSA-N 1 0 305.444 0.116 50 0 DCAARO O=C(C[NH+]1CCCCCC1)NCCS(=O)(=O)N1CCCC1 ZINC000065403384 184337450 /nfs/dbraw/zinc/33/74/50/184337450.db2.gz UMXHXEGTJLAPOH-UHFFFAOYSA-N 1 0 317.455 0.404 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnc(C(C)C)nc1C ZINC000067675525 184478578 /nfs/dbraw/zinc/47/85/78/184478578.db2.gz HYSHXPCEOJCOIP-PWSUYJOCSA-N 1 0 305.382 0.196 50 0 DCAARO O=C1C[C@@H]([NH2+][C@@H]2CCCOCC2)CN1CCN1CCOCC1 ZINC000329137412 296343840 /nfs/dbraw/zinc/34/38/40/296343840.db2.gz DGZCHSBGMIXNAM-HUUCEWRRSA-N 1 0 311.426 0.078 50 0 DCAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)c(=O)n(C)c1C ZINC000092028909 256548859 /nfs/dbraw/zinc/54/88/59/256548859.db2.gz PLHSCSFKZSQBDC-ZIAGYGMSSA-N 1 0 321.421 0.244 50 0 DCAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1nc(COC)no1)C2 ZINC000095379168 257271990 /nfs/dbraw/zinc/27/19/90/257271990.db2.gz ZYWGSVUKZIKWMB-QWHCGFSZSA-N 1 0 310.398 0.759 50 0 DCAARO OC1CN(c2nc([C@@H]3CCOC3)cc(N3CCC(O)CC3)n2)C1 ZINC000426574742 257245823 /nfs/dbraw/zinc/24/58/23/257245823.db2.gz NOECRTXBXSFIQN-LLVKDONJSA-N 1 0 320.393 0.123 50 0 DCAARO C[C@@H](C(=O)NCc1csc(N(C)C)n1)N1CCN(C)CC1 ZINC000426582829 257245880 /nfs/dbraw/zinc/24/58/80/257245880.db2.gz NKFATLPWMNUEQX-NSHDSACASA-N 1 0 311.455 0.461 50 0 DCAARO Cc1nc[nH]c1CNC(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426508133 257248301 /nfs/dbraw/zinc/24/83/01/257248301.db2.gz SFYUBIVPTLJBID-LBPRGKRZSA-N 1 0 302.382 0.698 50 0 DCAARO O=C(NCCn1cccn1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000426445528 257250157 /nfs/dbraw/zinc/25/01/57/257250157.db2.gz KLTHNSAFFFVVCK-OAHLLOKOSA-N 1 0 321.425 0.779 50 0 DCAARO Cc1cc(=O)c(C(=O)NCC[N@@H+]2CCC[C@H](CO)C2)cn1C ZINC000426403492 257250797 /nfs/dbraw/zinc/25/07/97/257250797.db2.gz LVWFDDJCBCIEGY-ZDUSSCGKSA-N 1 0 307.394 0.128 50 0 DCAARO C[NH+]1CCC(C)(C(=O)NCc2nc(-c3cnccn3)n[nH]2)CC1 ZINC000426410523 257251546 /nfs/dbraw/zinc/25/15/46/257251546.db2.gz MVFDQQDVRLKAHY-UHFFFAOYSA-N 1 0 315.381 0.610 50 0 DCAARO Cc1nc[nH]c1CNC(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426398042 257252379 /nfs/dbraw/zinc/25/23/79/257252379.db2.gz KULMZFSJPMPXEK-GFCCVEGCSA-N 1 0 302.382 0.698 50 0 DCAARO COC[C@@H]1C[C@H](OC)CN1Cc1nnnn1-c1ccccc1 ZINC000284626467 131097897 /nfs/dbraw/zinc/09/78/97/131097897.db2.gz LMFGFGMCLIWOSC-KBPBESRZSA-N 1 0 303.366 0.898 50 0 DCAARO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCC[NH+](C)C ZINC000010213723 395685919 /nfs/dbraw/zinc/68/59/19/395685919.db2.gz SERXAXYCQWILIZ-UHFFFAOYSA-N 1 0 313.423 0.537 50 0 DCAARO O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCSCC1 ZINC000011953078 395686973 /nfs/dbraw/zinc/68/69/73/395686973.db2.gz MNEGSLZDVGHAQE-UHFFFAOYSA-N 1 0 309.439 0.953 50 0 DCAARO COC(=O)CCC(=O)N1CCC[C@H](N(C)CCC[NH+](C)C)C1 ZINC000012443769 395687592 /nfs/dbraw/zinc/68/75/92/395687592.db2.gz WHCCQFYXACSTCJ-AWEZNQCLSA-N 1 0 313.442 0.814 50 0 DCAARO NC(=O)C1CC[NH+](C[C@@H](O)Cc2ccc3c(c2)OCO3)CC1 ZINC000000119365 395679780 /nfs/dbraw/zinc/67/97/80/395679780.db2.gz HJSLLYOMOVTBEV-ZDUSSCGKSA-N 1 0 306.362 0.516 50 0 DCAARO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000000119038 395679828 /nfs/dbraw/zinc/67/98/28/395679828.db2.gz IXOJUAYLXGBRQX-OAHLLOKOSA-N 1 0 320.389 0.826 50 0 DCAARO NC(=O)C1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000000148027 395679898 /nfs/dbraw/zinc/67/98/98/395679898.db2.gz RNSLJOSVRLSMFA-UHFFFAOYSA-N 1 0 319.361 0.229 50 0 DCAARO COc1ccc(NC(=O)C[NH2+]CCCN2CCOCC2)cc1 ZINC000003237521 395682393 /nfs/dbraw/zinc/68/23/93/395682393.db2.gz ZAGPXLOWJVKPOT-UHFFFAOYSA-N 1 0 307.394 0.946 50 0 DCAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000030971238 395705135 /nfs/dbraw/zinc/70/51/35/395705135.db2.gz NIUZIWCOHFOZQB-NHYWBVRUSA-N 1 0 317.389 0.996 50 0 DCAARO Cc1nc(C)c(CC(=O)N[C@@H](C)C[NH+]2CCCCC2)c(=O)[nH]1 ZINC000032664517 395712362 /nfs/dbraw/zinc/71/23/62/395712362.db2.gz GNKOHGNLTLXFDJ-NSHDSACASA-N 1 0 306.410 0.920 50 0 DCAARO Cn1nccc1[C@@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000089917027 395716676 /nfs/dbraw/zinc/71/66/76/395716676.db2.gz BGALXHGIBIFNNU-GFCCVEGCSA-N 1 0 319.409 0.930 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000089930501 395717043 /nfs/dbraw/zinc/71/70/43/395717043.db2.gz WCCWTWTVZRPQAJ-QWHCGFSZSA-N 1 0 308.382 0.014 50 0 DCAARO COc1cccc(CCNC(=O)CN2CC[N@H+](C)C[C@H]2C)c1 ZINC000089939055 395717149 /nfs/dbraw/zinc/71/71/49/395717149.db2.gz JMHKURCGSWQRKI-CQSZACIVSA-N 1 0 305.422 0.990 50 0 DCAARO CCN(CCC(=O)NCC[NH+](C)C)C(=O)c1cnc(C)cn1 ZINC000035819231 395721908 /nfs/dbraw/zinc/72/19/08/395721908.db2.gz URZNIDJEDUPBJM-UHFFFAOYSA-N 1 0 307.398 0.315 50 0 DCAARO COC[C@@H](O)C[N@@H+]1CC[C@H](N(C)Cc2noc(C3CC3)n2)C1 ZINC000095402650 395740542 /nfs/dbraw/zinc/74/05/42/395740542.db2.gz XIISANZGPUGSJR-STQMWFEESA-N 1 0 310.398 0.460 50 0 DCAARO Cn1c(=O)cc(C[NH+]2CCC(c3cn[nH]c3)CC2)n(C)c1=O ZINC000097202728 395756031 /nfs/dbraw/zinc/75/60/31/395756031.db2.gz QYNGJFXQGBHVHP-UHFFFAOYSA-N 1 0 303.366 0.187 50 0 DCAARO CN1CCN([C@H]2CC[N@H+](Cc3ccc(OCCO)cc3)C2)CC1 ZINC000097259187 395756417 /nfs/dbraw/zinc/75/64/17/395756417.db2.gz IWAMGDNVKCJOJS-KRWDZBQOSA-N 1 0 319.449 0.879 50 0 DCAARO Cn1cnc2cc(C(=O)NCCCN3CC[NH+](C)CC3)ccc21 ZINC000097394025 395757496 /nfs/dbraw/zinc/75/74/96/395757496.db2.gz MVJFIRQGHDAHGY-UHFFFAOYSA-N 1 0 315.421 0.941 50 0 DCAARO O=C(c1nccs1)c1cccnc1N1CC[NH2+]C[C@@H](O)C1 ZINC000097532369 395758600 /nfs/dbraw/zinc/75/86/00/395758600.db2.gz ZCXBUEFHJULIKA-SNVBAGLBSA-N 1 0 304.375 0.540 50 0 DCAARO O=C(COCc1ccccc1)N1CC[N@@H+](CCCO)C[C@H](O)C1 ZINC000097514417 395758617 /nfs/dbraw/zinc/75/86/17/395758617.db2.gz BRDBIDHHQHZPNJ-INIZCTEOSA-N 1 0 322.405 0.091 50 0 DCAARO CN1CCN(c2c(=O)c(=O)c2NCCc2ccc(O)cc2)CC1 ZINC000101685616 395766612 /nfs/dbraw/zinc/76/66/12/395766612.db2.gz KTLCRHVHNAJGMU-UHFFFAOYSA-N 1 0 315.373 0.395 50 0 DCAARO CC[NH+](CC)CCN(CC(C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000048964506 395825056 /nfs/dbraw/zinc/82/50/56/395825056.db2.gz PLYRZEXOTVOEMQ-UHFFFAOYSA-N 1 0 324.425 0.363 50 0 DCAARO O=C(c1c[nH]c(=O)cn1)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000218935784 395843453 /nfs/dbraw/zinc/84/34/53/395843453.db2.gz WAVOEEGCGGMUEU-UHFFFAOYSA-N 1 0 320.393 0.493 50 0 DCAARO Nc1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCCC2)[nH]n1 ZINC000220679112 395849807 /nfs/dbraw/zinc/84/98/07/395849807.db2.gz GGJZQPNSDWLDTC-GJQVQUKXSA-N 1 0 305.382 0.364 50 0 DCAARO O=C(CCN1CCCCO1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000223759107 395856445 /nfs/dbraw/zinc/85/64/45/395856445.db2.gz UHMQDINIHVFMCR-XLNGHYISSA-N 1 0 323.437 0.772 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000125781507 395905853 /nfs/dbraw/zinc/90/58/53/395905853.db2.gz ROEOAXGZOSSNLV-MGPLVRAMSA-N 1 0 316.361 0.175 50 0 DCAARO CCN(Cc1ccncc1)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055308901 395916727 /nfs/dbraw/zinc/91/67/27/395916727.db2.gz UYDGUZPQNCQLQA-AWEZNQCLSA-N 1 0 304.394 0.627 50 0 DCAARO Cc1noc(CN(C)C(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)n1 ZINC000244866589 395925618 /nfs/dbraw/zinc/92/56/18/395925618.db2.gz VYQMIXQWZLRNDY-GFCCVEGCSA-N 1 0 309.414 0.753 50 0 DCAARO C[NH+](C)[C@@H]1CCN(CC(=O)NCCCNc2cccnc2)C1 ZINC000244899858 395926574 /nfs/dbraw/zinc/92/65/74/395926574.db2.gz ZRNNCEYLXLOPAO-OAHLLOKOSA-N 1 0 305.426 0.636 50 0 DCAARO Cn1nc(OCC(=O)NCCN2CCOCC2)c2ccccc21 ZINC000226755020 395867023 /nfs/dbraw/zinc/86/70/23/395867023.db2.gz YWCAVENXRRJGJU-UHFFFAOYSA-N 1 0 318.377 0.401 50 0 DCAARO CN(CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)c1cnccn1 ZINC000248164462 395983556 /nfs/dbraw/zinc/98/35/56/395983556.db2.gz YZZUHGVMQYBOAY-ZIAGYGMSSA-N 1 0 303.410 0.998 50 0 DCAARO C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCSC2)CC1(C)C ZINC000252508894 396022766 /nfs/dbraw/zinc/02/27/66/396022766.db2.gz XXAQRHRTRLBWOZ-LBPRGKRZSA-N 1 0 300.472 0.817 50 0 DCAARO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(Cc2cccc(F)c2)CC1 ZINC000257174868 396034199 /nfs/dbraw/zinc/03/41/99/396034199.db2.gz LOMGCLJAHJBTLB-CVEARBPZSA-N 1 0 321.396 0.711 50 0 DCAARO CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)C[NH3+])CC1 ZINC000067840220 396035237 /nfs/dbraw/zinc/03/52/37/396035237.db2.gz HXCAFMRQEDDKTM-UHFFFAOYSA-N 1 0 307.398 0.990 50 0 DCAARO O=C(c1c(O)cccc1O)N1CCN(CCn2cncn2)CC1 ZINC000067872633 396037146 /nfs/dbraw/zinc/03/71/46/396037146.db2.gz KSFAWBBHDQPGNG-UHFFFAOYSA-N 1 0 317.349 0.147 50 0 DCAARO CCn1ncc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000067871676 396037485 /nfs/dbraw/zinc/03/74/85/396037485.db2.gz FNRAFGQJBXDFTE-CQSZACIVSA-N 1 0 312.439 0.976 50 0 DCAARO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(CC3CC3)C2=O)CC1 ZINC000067956438 396040303 /nfs/dbraw/zinc/04/03/03/396040303.db2.gz UOUUKGQKPVMZGX-KRWDZBQOSA-N 1 0 323.437 0.350 50 0 DCAARO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C)C[C@H]2C)cc1C(N)=O ZINC000257366096 396047098 /nfs/dbraw/zinc/04/70/98/396047098.db2.gz IXBOUKTXJQXCPC-MFKMUULPSA-N 1 0 311.407 0.322 50 0 DCAARO CCOC(=O)N[C@H]1CCC[N@H+](CCCC(=O)NC(=O)NC)C1 ZINC000068960390 396067211 /nfs/dbraw/zinc/06/72/11/396067211.db2.gz PDIKVDXFVVJMLM-NSHDSACASA-N 1 0 314.386 0.433 50 0 DCAARO CN(Cc1[nH]nc2c1CCC2)C(=O)CC[N@H+](C)[C@H]1CCN(C)C1 ZINC000252482150 396020174 /nfs/dbraw/zinc/02/01/74/396020174.db2.gz CZQGZIKYOSMZJV-ZDUSSCGKSA-N 1 0 319.453 0.883 50 0 DCAARO CC[C@H](CO)[NH+]1CCN(Cc2ncnn2CC(F)F)CC1 ZINC000252506287 396021915 /nfs/dbraw/zinc/02/19/15/396021915.db2.gz VYOFZXSMWXYEHY-LLVKDONJSA-N 1 0 303.357 0.432 50 0 DCAARO CCn1cc(C(=O)N2C[C@@H](COC)C3(C2)CC[NH2+]CC3)cn1 ZINC000169783949 396092578 /nfs/dbraw/zinc/09/25/78/396092578.db2.gz QYNVBGDGMBXYKH-AWEZNQCLSA-N 1 0 306.410 0.991 50 0 DCAARO C[C@H](C(=O)N1CCOCC1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069873337 396092847 /nfs/dbraw/zinc/09/28/47/396092847.db2.gz OMNKPVBRMLZXHI-KGLIPLIRSA-N 1 0 307.398 0.237 50 0 DCAARO CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](NC(=O)c2cccnc2)C1 ZINC000169783716 396092848 /nfs/dbraw/zinc/09/28/48/396092848.db2.gz XPHZNZBSAUEZGT-CHWSQXEVSA-N 1 0 305.382 0.013 50 0 DCAARO Cc1cnn(C[C@H]2CCCC[N@@H+]2CCN2C(=O)CNC2=O)c1 ZINC000069976584 396096799 /nfs/dbraw/zinc/09/67/99/396096799.db2.gz HRZFGUKEHWSJIS-CYBMUJFWSA-N 1 0 305.382 0.598 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000070015579 396097958 /nfs/dbraw/zinc/09/79/58/396097958.db2.gz QOHOXMHULABZFG-GFCCVEGCSA-N 1 0 301.416 0.024 50 0 DCAARO COc1cccc(F)c1C(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000071278644 396111626 /nfs/dbraw/zinc/11/16/26/396111626.db2.gz BWUZJCWCTHERIO-JQWIXIFHSA-N 1 0 323.368 0.901 50 0 DCAARO NC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000071798128 396115125 /nfs/dbraw/zinc/11/51/25/396115125.db2.gz OKROVJBHJGBOAT-LBPRGKRZSA-N 1 0 304.350 0.120 50 0 DCAARO CC(C)n1nccc1NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000071864434 396119275 /nfs/dbraw/zinc/11/92/75/396119275.db2.gz AAUQDUXGJIUYRA-UONOGXRCSA-N 1 0 323.441 0.789 50 0 DCAARO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071875676 396120123 /nfs/dbraw/zinc/12/01/23/396120123.db2.gz LOMDRSMJZBSFER-OAHLLOKOSA-N 1 0 316.409 0.740 50 0 DCAARO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)Cc2ccco2)C[C@@H]1C ZINC000071877534 396121317 /nfs/dbraw/zinc/12/13/17/396121317.db2.gz FUTGUFYFYRNJHP-UONOGXRCSA-N 1 0 309.410 0.625 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000071880581 396122304 /nfs/dbraw/zinc/12/23/04/396122304.db2.gz LAJLSZKREBSRQK-JKSUJKDBSA-N 1 0 323.437 0.711 50 0 DCAARO CCc1nc(CN2CCC[C@H]([N@H+](C)CCn3cncn3)C2)no1 ZINC000071882279 396122541 /nfs/dbraw/zinc/12/25/41/396122541.db2.gz IALKOQNRHKIFJX-ZDUSSCGKSA-N 1 0 319.413 0.820 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)NC1CCOCC1 ZINC000071880482 396122631 /nfs/dbraw/zinc/12/26/31/396122631.db2.gz NTHZKDRBNCSZFR-HZPDHXFCSA-N 1 0 323.437 0.757 50 0 DCAARO NC(=O)c1cnn2c1NC[C@H](C[NH2+]CCc1cccs1)C2 ZINC000071888669 396123527 /nfs/dbraw/zinc/12/35/27/396123527.db2.gz MATYSCISGGXYRB-JTQLQIEISA-N 1 0 305.407 0.918 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2ncc[nH]2)[C@@H](C)C1 ZINC000072300645 396130729 /nfs/dbraw/zinc/13/07/29/396130729.db2.gz UAOBDCVLQCXGGF-RYUDHWBXSA-N 1 0 300.428 0.948 50 0 DCAARO O=C(CCO)N1CC[C@@H]2[C@@H](CCC(=O)N2CC2CC[NH2+]CC2)C1 ZINC000072462877 396131486 /nfs/dbraw/zinc/13/14/86/396131486.db2.gz WQHGHDXBRINJNR-LSDHHAIUSA-N 1 0 323.437 0.208 50 0 DCAARO O=C(c1ccc(=O)[nH]n1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000069326508 396074705 /nfs/dbraw/zinc/07/47/05/396074705.db2.gz WPRKZFQOPVRWDK-GFCCVEGCSA-N 1 0 306.366 0.509 50 0 DCAARO CN1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1=O ZINC000069492638 396080200 /nfs/dbraw/zinc/08/02/00/396080200.db2.gz PGXGBZCABLBILR-LSDHHAIUSA-N 1 0 303.406 0.754 50 0 DCAARO COc1cc2nc(N3CCOCC3)[nH+]c(NN)c2cc1OC ZINC000075283368 396178745 /nfs/dbraw/zinc/17/87/45/396178745.db2.gz YVLPBFJKTWIROJ-UHFFFAOYSA-N 1 0 305.338 0.769 50 0 DCAARO [NH3+][C@@H]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000178329971 396194220 /nfs/dbraw/zinc/19/42/20/396194220.db2.gz ORRCIEUCIQYPHD-MRVPVSSYSA-N 1 0 300.156 0.701 50 0 DCAARO COCC[NH+]1CCC(c2nnc(CN3CCOCC3)n2C)CC1 ZINC000077379289 396220297 /nfs/dbraw/zinc/22/02/97/396220297.db2.gz OXKXHDAWNLVJQY-UHFFFAOYSA-N 1 0 323.441 0.473 50 0 DCAARO O[C@@]1(C[NH2+]CCc2nc3c(s2)CCCC3)CNCCOC1 ZINC000077424079 396222076 /nfs/dbraw/zinc/22/20/76/396222076.db2.gz FZLHZRQTSVLELY-HNNXBMFYSA-N 1 0 311.451 0.505 50 0 DCAARO [NH3+][C@@H]1CCN(CC(=O)NCCc2ccc(Cl)cc2)C[C@H]1O ZINC000082091824 396310937 /nfs/dbraw/zinc/31/09/37/396310937.db2.gz GOVMOXQAVUKOIU-ZIAGYGMSSA-N 1 0 311.813 0.393 50 0 DCAARO CCNS(=O)(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192940586 396440844 /nfs/dbraw/zinc/44/08/44/396440844.db2.gz OXQHLKKSUSZUBI-AWEZNQCLSA-N 1 0 312.439 0.690 50 0 DCAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CCS(=O)(=O)CC1 ZINC000562265666 396653642 /nfs/dbraw/zinc/65/36/42/396653642.db2.gz CNEPRVDIVAMGFQ-ZDUSSCGKSA-N 1 0 302.440 0.944 50 0 DCAARO Cn1cnnc1CCC(=O)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000584891251 396633833 /nfs/dbraw/zinc/63/38/33/396633833.db2.gz BHPUGINBFBWMGJ-AWEZNQCLSA-N 1 0 321.425 0.053 50 0 DCAARO CN1CC[NH+](C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019771156 415154553 /nfs/dbraw/zinc/15/45/53/415154553.db2.gz UMKHHVFLPHOCOC-GJZGRUSLSA-N 1 0 322.405 0.451 50 0 DCAARO COc1cccc(C[NH2+]CCNC(=O)c2nonc2N)c1OC ZINC000004998059 415130656 /nfs/dbraw/zinc/13/06/56/415130656.db2.gz XAZAWURGLQVZOZ-UHFFFAOYSA-N 1 0 321.337 0.189 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nc2ccccn2c1=O ZINC000045180038 415241214 /nfs/dbraw/zinc/24/12/14/415241214.db2.gz CGINFNHBDBIUDU-GFCCVEGCSA-N 1 0 303.366 0.097 50 0 DCAARO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046996744 415266289 /nfs/dbraw/zinc/26/62/89/415266289.db2.gz HCSCPAIDTALWEC-JHJVBQTASA-N 1 0 315.439 0.153 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000044894751 415229491 /nfs/dbraw/zinc/22/94/91/415229491.db2.gz DLYDREVYWJYGTP-ZDUSSCGKSA-N 1 0 317.455 0.259 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnn2ccccc12 ZINC000067674706 415377952 /nfs/dbraw/zinc/37/79/52/415377952.db2.gz FGAPTRRPVSEIEP-RISCZKNCSA-N 1 0 315.377 0.401 50 0 DCAARO CCN1CC[NH+](C[C@@H]2CN(c3cc(C)ncn3)C[C@@H]2CO)CC1 ZINC000095366850 415552655 /nfs/dbraw/zinc/55/26/55/415552655.db2.gz WENKLNSESZMSGL-HZPDHXFCSA-N 1 0 319.453 0.467 50 0 DCAARO Nc1cc(=O)[nH]c(CCNC(=O)CCC[NH+]2CCCCC2)n1 ZINC000095366547 415552718 /nfs/dbraw/zinc/55/27/18/415552718.db2.gz UDODRXURMGWIHY-UHFFFAOYSA-N 1 0 307.398 0.277 50 0 DCAARO CCC[C@H]1CN(S(=O)(=O)c2cccc3nn(C)nc32)C[C@@H]1[NH3+] ZINC000095367503 415553580 /nfs/dbraw/zinc/55/35/80/415553580.db2.gz MBPTUONOTJGWJJ-QWRGUYRKSA-N 1 0 323.422 0.716 50 0 DCAARO Cc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000095385371 415556978 /nfs/dbraw/zinc/55/69/78/415556978.db2.gz PVJSLJHENXMHBE-ZDUSSCGKSA-N 1 0 304.394 0.416 50 0 DCAARO C[C@@H](NC(=O)N(C)C[C@@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000095411299 415558887 /nfs/dbraw/zinc/55/88/87/415558887.db2.gz GNSADXZPTLDPDQ-ZIAGYGMSSA-N 1 0 314.474 0.671 50 0 DCAARO CC[NH+](CC)CCn1cc(NC(=O)[C@@H]2CC(=O)N(C)C2)cn1 ZINC000095955508 415564837 /nfs/dbraw/zinc/56/48/37/415564837.db2.gz YRRDGCVWPFPTBQ-GFCCVEGCSA-N 1 0 307.398 0.642 50 0 DCAARO O=C(CN1CCOCC1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000333852766 415752748 /nfs/dbraw/zinc/75/27/48/415752748.db2.gz QIEQFQJCLSVAKC-UHFFFAOYSA-N 1 0 310.423 0.881 50 0 DCAARO Nc1nc(C(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)cs1 ZINC000299768633 416065763 /nfs/dbraw/zinc/06/57/63/416065763.db2.gz LNZZWLJZLFXLHJ-NSHDSACASA-N 1 0 310.423 0.787 50 0 DCAARO Cc1ccc([C@H](CNC(=O)CNC(=O)N(C)C)[NH+](C)C)cc1 ZINC000299767594 416066007 /nfs/dbraw/zinc/06/60/07/416066007.db2.gz MCUXYXHGYLGWKE-AWEZNQCLSA-N 1 0 306.410 0.985 50 0 DCAARO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(Cc2ccccc2)C(=O)C1 ZINC000299765897 416066287 /nfs/dbraw/zinc/06/62/87/416066287.db2.gz ZCSNYLQYAGYIFH-HNNXBMFYSA-N 1 0 301.390 0.857 50 0 DCAARO [NH3+]CCCOc1ccc(C(=O)N[C@H]2COC[C@@H]2O)cc1Cl ZINC000299773738 416066411 /nfs/dbraw/zinc/06/64/11/416066411.db2.gz FLXBWQSVHLTMCO-RYUDHWBXSA-N 1 0 314.769 0.557 50 0 DCAARO Nc1nscc1C(=O)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000299781313 416067765 /nfs/dbraw/zinc/06/77/65/416067765.db2.gz LQIPKIYEWBYHIM-LLVKDONJSA-N 1 0 310.423 0.787 50 0 DCAARO Cc1cc(N2CCn3nc(CNS(C)(=O)=O)cc3C2)cc[nH+]1 ZINC000299784558 416067984 /nfs/dbraw/zinc/06/79/84/416067984.db2.gz XMJODRDJIHQLDU-UHFFFAOYSA-N 1 0 321.406 0.656 50 0 DCAARO NC(=O)c1cccc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000299788419 416069347 /nfs/dbraw/zinc/06/93/47/416069347.db2.gz PEEGPQFZKUHLFU-CQSZACIVSA-N 1 0 317.393 0.297 50 0 DCAARO CC[C@H]1C(=O)NCCN1C(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000299798792 416071061 /nfs/dbraw/zinc/07/10/61/416071061.db2.gz SQXFCVDGONURQR-ZDUSSCGKSA-N 1 0 323.368 0.904 50 0 DCAARO C[NH+]1CCC(CCC(=O)N2CCN(c3nc[nH]n3)CC2)CC1 ZINC000299799737 416071262 /nfs/dbraw/zinc/07/12/62/416071262.db2.gz ZPPWGSZPEICKLO-UHFFFAOYSA-N 1 0 306.414 0.575 50 0 DCAARO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000253416677 416334745 /nfs/dbraw/zinc/33/47/45/416334745.db2.gz ONQGTGRFGYXFAW-UEKVPHQBSA-N 1 0 311.382 0.496 50 0 DCAARO CCc1cc(C(=O)NCC[N@@H+]2CCC[C@H](CO)C2)cc(=O)[nH]1 ZINC000216344734 416327547 /nfs/dbraw/zinc/32/75/47/416327547.db2.gz RBTRZEQTTZFYFM-LBPRGKRZSA-N 1 0 307.394 0.371 50 0 DCAARO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000241409032 416329926 /nfs/dbraw/zinc/32/99/26/416329926.db2.gz NDZKSJQLUUURKT-XHSDSOJGSA-N 1 0 309.454 0.918 50 0 DCAARO CO[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000240555828 416329997 /nfs/dbraw/zinc/32/99/97/416329997.db2.gz GXMNQKCYNLKYOO-ZIAGYGMSSA-N 1 0 309.410 0.176 50 0 DCAARO C[N@H+](CCn1cc[nH]c1=O)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000244691622 416330626 /nfs/dbraw/zinc/33/06/26/416330626.db2.gz JGCJTKIPHACURM-ZDUSSCGKSA-N 1 0 306.410 0.899 50 0 DCAARO CN(C)c1nc(N)nc(CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC000585116519 416518628 /nfs/dbraw/zinc/51/86/28/416518628.db2.gz ZLHJVGLBKUCOJX-NSHDSACASA-N 1 0 307.446 0.682 50 0 DCAARO CC[N@@H+]1CCCC[C@@H]1CNc1ncnc(C(=O)OC)c1OC ZINC000585141932 416520334 /nfs/dbraw/zinc/52/03/34/416520334.db2.gz IVQGXUOAJAZDSO-LLVKDONJSA-N 1 0 308.382 1.558 50 0 DCAARO CC(=O)N1CC[C@]([NH3+])(C(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000649284000 418221353 /nfs/dbraw/zinc/22/13/53/418221353.db2.gz AGTDNPXXXMHYRR-MRXNPFEDSA-N 1 0 317.393 0.570 50 0 DCAARO Cc1oc(-c2ccco2)nc1CC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000299743462 229382678 /nfs/dbraw/zinc/38/26/78/229382678.db2.gz NPNKWVSVMBPZAC-OCCSQVGLSA-N 1 0 317.345 0.985 50 0 DCAARO O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299751075 229393586 /nfs/dbraw/zinc/39/35/86/229393586.db2.gz PKOSWJOARAAUOV-CABCVRRESA-N 1 0 300.362 0.270 50 0 DCAARO [NH3+]CCNC(=O)N1CCNC(=O)[C@@H]1c1c(F)cccc1Cl ZINC000418290950 262273749 /nfs/dbraw/zinc/27/37/49/262273749.db2.gz AEWVBFMCBFLYLQ-NSHDSACASA-N 1 0 314.748 0.620 50 0 DCAARO CCCc1ncncc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072147404 276296627 /nfs/dbraw/zinc/29/66/27/276296627.db2.gz LHOIEYLFQPXKME-INIZCTEOSA-N 1 0 306.410 0.958 50 0 DCAARO C[C@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)[NH+]1CCCC1 ZINC000042509357 278206505 /nfs/dbraw/zinc/20/65/05/278206505.db2.gz VRERJUWBUUVGIY-CHWSQXEVSA-N 1 0 317.455 0.401 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])[C@@H](C)CO1 ZINC000299738444 288232696 /nfs/dbraw/zinc/23/26/96/288232696.db2.gz ATMYTQDOYWUOHP-WUHRBBMRSA-N 1 0 305.444 0.400 50 0 DCAARO C[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)C[NH+]1CCCC1 ZINC000048731053 289672511 /nfs/dbraw/zinc/67/25/11/289672511.db2.gz ZNULVOYKFGYHRF-NEPJUHHUSA-N 1 0 303.428 0.205 50 0 DCAARO Cc1nonc1CC(=O)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299772945 302861024 /nfs/dbraw/zinc/86/10/24/302861024.db2.gz CYVJGSZWGGYQLA-ZDUSSCGKSA-N 1 0 308.382 0.634 50 0 DCAARO O=S(=O)(Cc1ccc(Cl)cc1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000534640949 334311158 /nfs/dbraw/zinc/31/11/58/334311158.db2.gz JAFYELWWEJCNCJ-VXGBXAGGSA-N 1 0 304.799 0.482 50 0 DCAARO CCS(=O)(=O)N1CC(C[NH2+]Cc2cnn(C(C)C)c2)C1 ZINC000190281886 336262225 /nfs/dbraw/zinc/26/22/25/336262225.db2.gz BNFPGKFXIJVLAK-UHFFFAOYSA-N 1 0 300.428 0.835 50 0 DCAARO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)nn1 ZINC000095373369 337377824 /nfs/dbraw/zinc/37/78/24/337377824.db2.gz FAPYZMQGWRUMMQ-CABCVRRESA-N 1 0 316.409 0.601 50 0 DCAARO O=S1(=O)CCN(C2CC[NH+](C[C@@H]3CCCCO3)CC2)CC1 ZINC000097094660 337381974 /nfs/dbraw/zinc/38/19/74/337381974.db2.gz QRWVOEWJIYDYCY-HNNXBMFYSA-N 1 0 316.467 0.750 50 0 DCAARO C[C@@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)C[C@@H](C)[NH2+]1 ZINC000153787509 534303826 /nfs/dbraw/zinc/30/38/26/534303826.db2.gz BZQVRZAEDMGPRS-CHWSQXEVSA-N 1 0 314.389 0.995 50 0 DCAARO CC(C)[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)C1COC1 ZINC000408519637 528910525 /nfs/dbraw/zinc/91/05/25/528910525.db2.gz JLBUEOLRQUXFHR-UHFFFAOYSA-N 1 0 314.407 0.822 50 0 DCAARO CC(C)[NH+]1CCC2(CC[C@H](CNC(=O)c3nnc[nH]3)O2)CC1 ZINC000299793954 529004831 /nfs/dbraw/zinc/00/48/31/529004831.db2.gz IOEFKBZHUPPWLB-GFCCVEGCSA-N 1 0 307.398 0.957 50 0 DCAARO CC[NH+]1CCN(CC(=O)NCCc2noc(C3CC3)n2)CC1 ZINC000299802674 529138105 /nfs/dbraw/zinc/13/81/05/529138105.db2.gz NFVQKBCRHPQZPE-UHFFFAOYSA-N 1 0 307.398 0.243 50 0 DCAARO O=C(C[NH+]1CCCC1)N1CCC[C@@H](Cn2cc(CO)nn2)C1 ZINC000020994653 545643444 /nfs/dbraw/zinc/64/34/44/545643444.db2.gz AHHVBHBJCCDSPB-CYBMUJFWSA-N 1 0 307.398 0.105 50 0 DCAARO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000084281249 545700453 /nfs/dbraw/zinc/70/04/53/545700453.db2.gz RSXAIZOUDYEFPN-CQSZACIVSA-N 1 0 318.381 0.698 50 0 DCAARO Cn1c(C[NH2+]CC2(C(N)=O)CCOCC2)nc2ccccc21 ZINC000086250668 545706887 /nfs/dbraw/zinc/70/68/87/545706887.db2.gz MYCUAEXSGYZLSS-UHFFFAOYSA-N 1 0 302.378 0.945 50 0 DCAARO CC(C)[NH+]1CCC(CC(=O)NC[C@@H]2CN(C)C(=O)CO2)CC1 ZINC000670443122 547091936 /nfs/dbraw/zinc/09/19/36/547091936.db2.gz DKLJWGPQRZSAPZ-CQSZACIVSA-N 1 0 311.426 0.470 50 0 DCAARO CC(C)C[N@@H+]1CCN(c2cncc(C(N)=O)n2)C[C@H]1CCO ZINC000670460122 547098557 /nfs/dbraw/zinc/09/85/57/547098557.db2.gz VFHYRENZBYAMFN-GFCCVEGCSA-N 1 0 307.398 0.105 50 0 DCAARO CN1C[C@]2(CC[N@H+](Cc3cccc4nonc43)C2)OCC1=O ZINC000670462494 547098954 /nfs/dbraw/zinc/09/89/54/547098954.db2.gz CHLDOVOPHIWZQJ-HNNXBMFYSA-N 1 0 302.334 0.656 50 0 DCAARO CC(C)Cn1cncc1CNC(=O)CN(C)C1CC[NH2+]CC1 ZINC000670462261 547099264 /nfs/dbraw/zinc/09/92/64/547099264.db2.gz FIXYHCIJCWBMND-UHFFFAOYSA-N 1 0 307.442 0.839 50 0 DCAARO CN(C)C(=O)c1ccc(C[NH2+][C@H]2COC[C@H]2Oc2cn[nH]c2)[nH]1 ZINC000685940840 548746796 /nfs/dbraw/zinc/74/67/96/548746796.db2.gz JNZKKZPTRNAEKD-UONOGXRCSA-N 1 0 319.365 0.376 50 0 DCAARO [NH3+]CC1(C(F)(F)F)CCN(S(=O)(=O)[C@H]2CCOC2)CC1 ZINC000725264656 548750066 /nfs/dbraw/zinc/75/00/66/548750066.db2.gz AWOHKSSECGFUBP-VIFPVBQESA-N 1 0 316.345 0.708 50 0 DCAARO C[C@H](CCC(=O)NCCc1nccn1C)[NH+]1CCN(C)CC1 ZINC000244685565 660602148 /nfs/dbraw/zinc/60/21/48/660602148.db2.gz ISMCIZULGNOXTD-CQSZACIVSA-N 1 0 307.442 0.495 50 0 DCAARO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc3n[nH]cc3c2)CC1=O ZINC000081245292 670424972 /nfs/dbraw/zinc/42/49/72/670424972.db2.gz FIGNIJVTRKKNDH-LBPRGKRZSA-N 1 0 315.377 0.912 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000952964993 685598419 /nfs/dbraw/zinc/59/84/19/685598419.db2.gz DZNYUDQFPRZZRQ-TZMCWYRMSA-N 1 0 323.368 0.173 50 0 DCAARO COc1cccc(OC)c1OCCN1C[C@@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772705296 1157845300 /nfs/dbraw/zinc/84/53/00/1157845300.db2.gz RSZWQGSDPMHVMU-GUYCJALGSA-N 1 0 322.405 0.596 50 0 DCAARO CC(C)(C(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1)[NH+]1CCCC1 ZINC001704280220 1179959090 /nfs/dbraw/zinc/95/90/90/1179959090.db2.gz WAINVHDZVWGLLI-UKRRQHHQSA-N 1 0 318.421 0.713 50 0 DCAARO Cc1nc(CN(CCO)C(=O)[C@H]([NH3+])Cc2ccccc2)c[nH]1 ZINC001704305656 1179968520 /nfs/dbraw/zinc/96/85/20/1179968520.db2.gz MQXHBQDBFOFPLR-OAHLLOKOSA-N 1 0 302.378 0.609 50 0 DCAARO C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](O)C2)cc1 ZINC001704330966 1179974907 /nfs/dbraw/zinc/97/49/07/1179974907.db2.gz MNKSNXBJHPMFGA-JKSUJKDBSA-N 1 0 322.405 0.894 50 0 DCAARO Cc1cc(=O)cc(C(=O)N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)[nH]1 ZINC001704342371 1179978520 /nfs/dbraw/zinc/97/85/20/1179978520.db2.gz ODURLGASQJVFRV-NVXWUHKLSA-N 1 0 319.405 0.602 50 0 DCAARO C[C@H](CNS(=O)(=O)C1CC1)NCC1(C[NH+]2CCCC2)CC1 ZINC000821344938 758170863 /nfs/dbraw/zinc/17/08/63/758170863.db2.gz DKDHMDORVHVYHV-CYBMUJFWSA-N 1 0 315.483 0.922 50 0 DCAARO CCS(=O)(=O)NC[C@@H](C)[NH2+]CCCn1nc(C)cc1C ZINC000823412699 758246803 /nfs/dbraw/zinc/24/68/03/758246803.db2.gz GEHREALELDLIAG-GFCCVEGCSA-N 1 0 302.444 0.807 50 0 DCAARO NC(=O)COCC(=O)NC1(C[NH+]2CCCCC2)CCCCC1 ZINC000828004462 758908518 /nfs/dbraw/zinc/90/85/18/758908518.db2.gz GRSBYOALHATUEP-UHFFFAOYSA-N 1 0 311.426 0.793 50 0 DCAARO O=S(=O)(CC1CCCC1)NCCC[N@H+]1CCC[C@@H](O)C1 ZINC000828627379 759048763 /nfs/dbraw/zinc/04/87/63/759048763.db2.gz JBXYYFYFGUDEFY-CQSZACIVSA-N 1 0 304.456 0.943 50 0 DCAARO CC(C)Oc1cc(NCC[N@@H+]2CCC[C@@H](CO)C2)nc(N)n1 ZINC000828711076 759074545 /nfs/dbraw/zinc/07/45/45/759074545.db2.gz BMNDIDXFFNGNEM-GFCCVEGCSA-N 1 0 309.414 0.962 50 0 DCAARO C[NH+](C)C1(CC2CC2)CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000581811157 760254034 /nfs/dbraw/zinc/25/40/34/760254034.db2.gz QJMBGWQMYQYDJQ-UHFFFAOYSA-N 1 0 321.421 0.858 50 0 DCAARO C[NH2+]C[C@@H](O)CN1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000952876809 768940863 /nfs/dbraw/zinc/94/08/63/768940863.db2.gz FPYHUPQTBGOTTH-OAHLLOKOSA-N 1 0 323.437 0.796 50 0 DCAARO O=C(CCCN1CCCCC1=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001506403783 1017256296 /nfs/dbraw/zinc/25/62/96/1017256296.db2.gz UHTUXCPAFLUCGE-UHFFFAOYSA-N 1 0 323.437 0.760 50 0 DCAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)/C=C/c2cc(CO)cs2)C1 ZINC001506423593 1017266694 /nfs/dbraw/zinc/26/66/94/1017266694.db2.gz YAMIZZBYZVTLRS-HNFMAKEJSA-N 1 0 310.419 0.777 50 0 DCAARO Cc1nnnn1-c1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000095473564 185372900 /nfs/dbraw/zinc/37/29/00/185372900.db2.gz CCPDCGATKCURCL-UHFFFAOYSA-N 1 0 300.366 0.748 50 0 DCAARO Cc1nc(Cn2ncc(N3CCC[N@@H+](C)CC3)cc2=O)co1 ZINC000095498316 185374378 /nfs/dbraw/zinc/37/43/78/185374378.db2.gz UUSBPNSWAJRUTF-UHFFFAOYSA-N 1 0 303.366 0.730 50 0 DCAARO Cc1cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc(C)n1 ZINC000095507990 185375890 /nfs/dbraw/zinc/37/58/90/185375890.db2.gz IROSRMOLJAGHEE-HNNXBMFYSA-N 1 0 318.421 0.725 50 0 DCAARO C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@@H]1[NH+](C)C ZINC000078895188 185123892 /nfs/dbraw/zinc/12/38/92/185123892.db2.gz INMFFPWDAWAABO-KOLCDFICSA-N 1 0 306.391 0.778 50 0 DCAARO CC(=O)NCc1cc2n(n1)CCN(CC(C)(C)C[NH+](C)C)C2 ZINC000082115457 192358066 /nfs/dbraw/zinc/35/80/66/192358066.db2.gz LUXZQCZIWPQMMS-UHFFFAOYSA-N 1 0 307.442 0.923 50 0 DCAARO CCc1ccc(NC(=O)C(=O)NC2CC[NH+](CCO)CC2)cc1 ZINC000095400105 185354093 /nfs/dbraw/zinc/35/40/93/185354093.db2.gz UZGDHTZFODWKBL-UHFFFAOYSA-N 1 0 319.405 0.760 50 0 DCAARO COc1ccc(NC(=O)C(=O)NC2CC[NH+](CCO)CC2)cc1 ZINC000095400104 185354180 /nfs/dbraw/zinc/35/41/80/185354180.db2.gz XXLMZASDSVVJCK-UHFFFAOYSA-N 1 0 321.377 0.207 50 0 DCAARO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1csnn1 ZINC000095431020 185363251 /nfs/dbraw/zinc/36/32/51/185363251.db2.gz NPVCEVZZULGHQI-CYBMUJFWSA-N 1 0 318.402 0.687 50 0 DCAARO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000095466601 185371647 /nfs/dbraw/zinc/37/16/47/185371647.db2.gz SJYWIQZFNKQCOK-MRVPVSSYSA-N 1 0 313.320 0.761 50 0 DCAARO O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058196427 295778085 /nfs/dbraw/zinc/77/80/85/295778085.db2.gz UZFSGJNQBIHLLX-OLZOCXBDSA-N 1 0 315.439 0.443 50 0 DCAARO O=C(CO)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072129178 191042721 /nfs/dbraw/zinc/04/27/21/191042721.db2.gz QEVGKBJXRXRNFE-INIZCTEOSA-N 1 0 303.406 0.792 50 0 DCAARO O=C(NCc1csc(-c2cnccn2)n1)[C@@H]1C[NH2+]CCO1 ZINC000072150856 191055697 /nfs/dbraw/zinc/05/56/97/191055697.db2.gz RGKAQKAJCIPXGE-NSHDSACASA-N 1 0 305.363 0.205 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000072166133 191064666 /nfs/dbraw/zinc/06/46/66/191064666.db2.gz NZCNTKHOYRDUIR-LBPRGKRZSA-N 1 0 304.394 0.940 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)NCCc1noc(C2CCCC2)n1 ZINC000072164466 191065614 /nfs/dbraw/zinc/06/56/14/191065614.db2.gz RPIKUNLFPDZTIH-LBPRGKRZSA-N 1 0 308.382 0.764 50 0 DCAARO Cc1nn(CCC(=O)NC[C@@]2(O)CCC[NH2+]CC2)c(C)c1C ZINC000072166841 191066445 /nfs/dbraw/zinc/06/64/45/191066445.db2.gz KWSPYEWPCJQLIC-MRXNPFEDSA-N 1 0 308.426 0.819 50 0 DCAARO Cc1cnn(CC[NH2+]CC(=O)NCCOc2ccccc2)c1 ZINC000072253076 191087399 /nfs/dbraw/zinc/08/73/99/191087399.db2.gz BGHKADAFLCXESM-UHFFFAOYSA-N 1 0 302.378 0.976 50 0 DCAARO C[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@@H]1[NH+](C)C ZINC000084714319 192460912 /nfs/dbraw/zinc/46/09/12/192460912.db2.gz DJMWXHPNQTWQNM-WFASDCNBSA-N 1 0 314.389 0.805 50 0 DCAARO CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000237444307 186289773 /nfs/dbraw/zinc/28/97/73/186289773.db2.gz GSIONUVSGSTYPN-SNVBAGLBSA-N 1 0 318.420 0.202 50 0 DCAARO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC1CC[NH2+]CC1 ZINC000237912234 283332041 /nfs/dbraw/zinc/33/20/41/283332041.db2.gz DFYXYOQSUFSMTP-HNNXBMFYSA-N 1 0 301.390 0.815 50 0 DCAARO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4[C@H](O)[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5 ZINC000005966774 181302418 /nfs/dbraw/zinc/30/24/18/181302418.db2.gz ISVKWTNAIRJURI-NGQSNTBFSA-N 1 0 301.342 0.689 50 0 DCAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000299750173 283619838 /nfs/dbraw/zinc/61/98/38/283619838.db2.gz MRTDGBDRDRTVMV-OAGGEKHMSA-N 1 0 304.390 0.963 50 0 DCAARO NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000408520289 239270946 /nfs/dbraw/zinc/27/09/46/239270946.db2.gz VXZMAHJWTSKEDL-JQWIXIFHSA-N 1 0 314.432 0.903 50 0 DCAARO CCC[C@H]1C[N@H+](CCOC)C[C@@H]1NC(=O)c1cnc[nH]c1=O ZINC000091364965 193045919 /nfs/dbraw/zinc/04/59/19/193045919.db2.gz QGCLEFORCHCMCF-AAEUAGOBSA-N 1 0 308.382 0.247 50 0 DCAARO NS(=O)(=O)CCCC(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000091737989 193099035 /nfs/dbraw/zinc/09/90/35/193099035.db2.gz ROUVXZZMUWKEKF-OLZOCXBDSA-N 1 0 311.407 0.008 50 0 DCAARO NC(=O)c1csc(N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000091818415 193112478 /nfs/dbraw/zinc/11/24/78/193112478.db2.gz FWXBWEDUDMIZCV-VXGBXAGGSA-N 1 0 324.450 0.773 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@@H]1CO ZINC000092046087 193147211 /nfs/dbraw/zinc/14/72/11/193147211.db2.gz GHMOYAVPCBVISH-CHWSQXEVSA-N 1 0 310.369 0.833 50 0 DCAARO Cc1nn(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(=O)c2ccccc12 ZINC000092077135 193154302 /nfs/dbraw/zinc/15/43/02/193154302.db2.gz JHDSBJBZDRULOR-BETUJISGSA-N 1 0 312.373 0.668 50 0 DCAARO COc1ccccc1NC(=O)CCN1CC[NH+](CCO)CC1 ZINC000019889767 182160789 /nfs/dbraw/zinc/16/07/89/182160789.db2.gz STIVAYDJCRXXSJ-UHFFFAOYSA-N 1 0 307.394 0.634 50 0 DCAARO Cc1ccc(COC[C@@H](O)C[NH+]2CCN(CCO)CC2)cc1 ZINC000023114601 182348340 /nfs/dbraw/zinc/34/83/40/182348340.db2.gz USDSKQBCDYCXJP-KRWDZBQOSA-N 1 0 308.422 0.482 50 0 DCAARO CC(C)[N@H+](C)CC(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1 ZINC000039499971 183019814 /nfs/dbraw/zinc/01/98/14/183019814.db2.gz UDOWPLYBSJYNBU-ZDUSSCGKSA-N 1 0 323.441 0.910 50 0 DCAARO CC[NH+](CC)CCCNC(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000040286947 183051484 /nfs/dbraw/zinc/05/14/84/183051484.db2.gz KNWMEDWCZREWIE-UHFFFAOYSA-N 1 0 309.414 0.824 50 0 DCAARO CC(=O)NCCNC(=O)C1(Oc2cccnc2C)CC[NH2+]CC1 ZINC000065395533 184335197 /nfs/dbraw/zinc/33/51/97/184335197.db2.gz DDSQNOZDENHYMD-UHFFFAOYSA-N 1 0 320.393 0.143 50 0 DCAARO Cc1cnc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)cn1 ZINC000065422773 184342265 /nfs/dbraw/zinc/34/22/65/184342265.db2.gz HHNUHZFAPGEUMY-GFCCVEGCSA-N 1 0 315.381 0.306 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)N[C@H](C)Cn2ccnc2)CC1 ZINC000065437107 184345429 /nfs/dbraw/zinc/34/54/29/184345429.db2.gz HYESJBYOIXTDBL-CQSZACIVSA-N 1 0 309.414 0.635 50 0 DCAARO CS(=O)(=O)NCCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000065463258 184349543 /nfs/dbraw/zinc/34/95/43/184349543.db2.gz SJSYYPNGDIZVEY-CYBMUJFWSA-N 1 0 312.439 0.755 50 0 DCAARO Nc1ncccc1CNC(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426739666 257243453 /nfs/dbraw/zinc/24/34/53/257243453.db2.gz HBGHVEGFAXLLSH-LBPRGKRZSA-N 1 0 314.393 0.644 50 0 DCAARO Cc1nc2c(c(=O)[nH]1)CN(C(=O)CC[C@H](C)[NH+]1CCOCC1)C2 ZINC000426728251 257243581 /nfs/dbraw/zinc/24/35/81/257243581.db2.gz IXZGSYQFZJEQCE-NSHDSACASA-N 1 0 320.393 0.834 50 0 DCAARO O=C(Cn1ccccc1=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000426632930 257245280 /nfs/dbraw/zinc/24/52/80/257245280.db2.gz UQSYWXLDSIPXEY-UHFFFAOYSA-N 1 0 319.405 0.608 50 0 DCAARO Cn1ccnc1CNC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000426533917 257247784 /nfs/dbraw/zinc/24/77/84/257247784.db2.gz XUXLVZPOMOLLQU-UHFFFAOYSA-N 1 0 306.410 0.927 50 0 DCAARO CN(CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)C(N)=O ZINC000426507900 257248856 /nfs/dbraw/zinc/24/88/56/257248856.db2.gz PAFYCKZHVPYDMH-UHFFFAOYSA-N 1 0 318.421 0.777 50 0 DCAARO Cc1ccn2c(nnc2C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000426406319 257251701 /nfs/dbraw/zinc/25/17/01/257251701.db2.gz QMPRHSXRYQDZBF-LLVKDONJSA-N 1 0 300.366 0.647 50 0 DCAARO [NH3+]CCc1nnc(SC[C@@H](O)CO)n1-c1ccc(F)cc1 ZINC000426384035 257252204 /nfs/dbraw/zinc/25/22/04/257252204.db2.gz ZGQSQABAZVXGDF-NSHDSACASA-N 1 0 312.370 0.353 50 0 DCAARO O=S1(=O)C[C@@H](O)[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000013732925 395688989 /nfs/dbraw/zinc/68/89/89/395688989.db2.gz ADFGMMYADXUAPZ-HZPDHXFCSA-N 1 0 324.446 0.399 50 0 DCAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014743339 395689686 /nfs/dbraw/zinc/68/96/86/395689686.db2.gz JESQFDKQTFHXQK-UHFFFAOYSA-N 1 0 310.398 0.246 50 0 DCAARO CCCOC(=O)c1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000002099796 395681232 /nfs/dbraw/zinc/68/12/32/395681232.db2.gz LKSKDFLXCXLSFG-UHFFFAOYSA-N 1 0 321.377 0.870 50 0 biogenic DCAARO COc1cccc(OCC(=O)N2CCOC[C@H]2C[NH+](C)C)c1 ZINC000085469944 395700904 /nfs/dbraw/zinc/70/09/04/395700904.db2.gz MMQKRHHEYUYWCP-CYBMUJFWSA-N 1 0 308.378 0.863 50 0 DCAARO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000032230022 395709368 /nfs/dbraw/zinc/70/93/68/395709368.db2.gz RHYBOLJDONTVES-KGLIPLIRSA-N 1 0 313.419 0.820 50 0 DCAARO CC(=O)N(Cc1ncc(C)o1)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC000089702326 395714384 /nfs/dbraw/zinc/71/43/84/395714384.db2.gz FPLNDOWSTYEJAZ-AWEZNQCLSA-N 1 0 318.381 0.698 50 0 DCAARO NC(=O)c1cc(N2CC[NH+](CCO)CC2)nc2ccccc21 ZINC000032828829 395714452 /nfs/dbraw/zinc/71/44/52/395714452.db2.gz ZQUOPHIIXHIYKA-UHFFFAOYSA-N 1 0 300.362 0.448 50 0 DCAARO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@@H]1C(C)C ZINC000033350742 395717204 /nfs/dbraw/zinc/71/72/04/395717204.db2.gz JNCVFDFYSNHOTQ-CHWSQXEVSA-N 1 0 324.425 0.314 50 0 DCAARO COc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000036265631 395722944 /nfs/dbraw/zinc/72/29/44/395722944.db2.gz UGHUMVKRGIURGQ-CMPLNLGQSA-N 1 0 312.391 0.686 50 0 DCAARO Cc1noc(CCCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000084286668 395697463 /nfs/dbraw/zinc/69/74/63/395697463.db2.gz JIIUNZJPVDXSLH-KGLIPLIRSA-N 1 0 322.409 0.758 50 0 DCAARO CC(=O)N1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000084718309 395698658 /nfs/dbraw/zinc/69/86/58/395698658.db2.gz HBFRUXBTZAHDGT-XHSDSOJGSA-N 1 0 323.437 0.303 50 0 DCAARO COCC[C@@]1(CO)CCC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000091494459 395725526 /nfs/dbraw/zinc/72/55/26/395725526.db2.gz OXYRMVZKGFCRGZ-AWEZNQCLSA-N 1 0 322.471 0.379 50 0 DCAARO CS(=O)(=O)NC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000037805714 395728762 /nfs/dbraw/zinc/72/87/62/395728762.db2.gz PCKWDYZPDOOFOM-CYBMUJFWSA-N 1 0 311.407 0.227 50 0 DCAARO C[NH+]1CCN(c2cc(CNC(=O)c3cnccn3)ccn2)CC1 ZINC000040541092 395734206 /nfs/dbraw/zinc/73/42/06/395734206.db2.gz YBVHXWFYDWCYHH-UHFFFAOYSA-N 1 0 312.377 0.553 50 0 DCAARO C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000095430716 395740962 /nfs/dbraw/zinc/74/09/62/395740962.db2.gz CCYVEKVJHLBPKP-NWDGAFQWSA-N 1 0 323.359 0.708 50 0 DCAARO OCCn1ncc2c1ncnc2N1CC[NH+](C2CCCC2)CC1 ZINC000097199997 395755688 /nfs/dbraw/zinc/75/56/88/395755688.db2.gz IBFTVYMDJDZLND-UHFFFAOYSA-N 1 0 316.409 0.883 50 0 DCAARO [NH3+]C1(C(=O)N2CCN(C(=O)c3n[nH]c4ccccc43)CC2)CC1 ZINC000097228896 395756508 /nfs/dbraw/zinc/75/65/08/395756508.db2.gz PIKLEWXHEPBZKD-UHFFFAOYSA-N 1 0 313.361 0.339 50 0 DCAARO COCCn1ccnc1CN1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000097301393 395757209 /nfs/dbraw/zinc/75/72/09/395757209.db2.gz LOALAVCQVZZJGG-UHFFFAOYSA-N 1 0 321.469 0.789 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC000106667182 395783884 /nfs/dbraw/zinc/78/38/84/395783884.db2.gz GVDBLGYOFHHGLO-HUUCEWRRSA-N 1 0 304.398 0.617 50 0 DCAARO Cc1cnn(C[C@H]2CCC[N@H+]2[C@H](C)C(=O)N2CCOCC2)c1 ZINC000106868923 395784026 /nfs/dbraw/zinc/78/40/26/395784026.db2.gz ZSLQSKYYBBSIEQ-HUUCEWRRSA-N 1 0 306.410 0.903 50 0 DCAARO Cc1cc(C)n(CC[N@@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)n1 ZINC000107059300 395784947 /nfs/dbraw/zinc/78/49/47/395784947.db2.gz CAJANTPIEWSKSO-BBRMVZONSA-N 1 0 319.409 0.810 50 0 DCAARO COCCC[N@@H+]1CCN(C(=O)c2ccc(CO)cc2)C[C@H](O)C1 ZINC000097815189 395761119 /nfs/dbraw/zinc/76/11/19/395761119.db2.gz ZCERFZAZUBUNPR-MRXNPFEDSA-N 1 0 322.405 0.334 50 0 DCAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CN1CCc2ccccc21 ZINC000220289773 395848078 /nfs/dbraw/zinc/84/80/78/395848078.db2.gz ZBZFNFNFKYGWGA-BVPBIZIASA-N 1 0 315.417 0.883 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Cc1ccc2c(c1)OCO2 ZINC000220468149 395848569 /nfs/dbraw/zinc/84/85/69/395848569.db2.gz OAJUWSZLHWMGJV-WFASDCNBSA-N 1 0 306.362 0.793 50 0 DCAARO O=C(CCN1CCn2nc(CO)cc2C1)Nc1cccnc1 ZINC000222516876 395852601 /nfs/dbraw/zinc/85/26/01/395852601.db2.gz QDVYVDWIGGCQSY-UHFFFAOYSA-N 1 0 301.350 0.615 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Cn1cc(Cl)c(C)n1 ZINC000223263114 395854194 /nfs/dbraw/zinc/85/41/94/395854194.db2.gz QOIZHZDCWHPYMI-RYUDHWBXSA-N 1 0 300.790 0.680 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000125082949 395902625 /nfs/dbraw/zinc/90/26/25/395902625.db2.gz LRUQKTBKQJMLMM-GFCCVEGCSA-N 1 0 301.346 0.924 50 0 DCAARO Cn1ccc(NC(=O)CN2CC[NH+](C3CCSCC3)CC2)n1 ZINC000244811608 395925434 /nfs/dbraw/zinc/92/54/34/395925434.db2.gz SHSVLJNBKMPOPU-UHFFFAOYSA-N 1 0 323.466 0.872 50 0 DCAARO CC[C@@H](C(=O)N1CCN(CCn2cncn2)CC1)n1cccn1 ZINC000244873305 395926056 /nfs/dbraw/zinc/92/60/56/395926056.db2.gz WNWAJUTWAPAGPK-AWEZNQCLSA-N 1 0 317.397 0.270 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)Nc2nccs2)C[C@@H]1C ZINC000229373907 395874189 /nfs/dbraw/zinc/87/41/89/395874189.db2.gz PQWCOEWILVCBTJ-SRVKXCTJSA-N 1 0 312.439 0.857 50 0 DCAARO C[N@@H+]1CC[C@H](C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000229457730 395874492 /nfs/dbraw/zinc/87/44/92/395874492.db2.gz BGQCNEMKLKBLDL-DLBZAZTESA-N 1 0 317.433 0.816 50 0 DCAARO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229531286 395874618 /nfs/dbraw/zinc/87/46/18/395874618.db2.gz YTSXCCXGXYPPHR-KFWWJZLASA-N 1 0 321.425 0.674 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)NCc2ccco2)C[C@@H]1C ZINC000229556237 395875699 /nfs/dbraw/zinc/87/56/99/395875699.db2.gz CVIQYEOAPLGENH-IHRRRGAJSA-N 1 0 309.410 0.671 50 0 DCAARO O=C1CCCN1C[C@H](O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000247262421 395970781 /nfs/dbraw/zinc/97/07/81/395970781.db2.gz BHHWYQJIPQQDML-MRXNPFEDSA-N 1 0 309.454 0.920 50 0 DCAARO CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@@H]([NH2+]C)C2)c1 ZINC000151039705 395977334 /nfs/dbraw/zinc/97/73/34/395977334.db2.gz QGQVUEZCRWMZNN-VBROQKIQSA-N 1 0 302.378 0.665 50 0 DCAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000247757005 395978646 /nfs/dbraw/zinc/97/86/46/395978646.db2.gz DYKGYJZWIHBTBU-SOUVJXGZSA-N 1 0 310.398 0.299 50 0 DCAARO Nc1nc(N2CCOCC2)cc(N2CC[NH+]3CCC2CC3)n1 ZINC000065527150 395994609 /nfs/dbraw/zinc/99/46/09/395994609.db2.gz LVKPSKKYDZSXEI-UHFFFAOYSA-N 1 0 304.398 0.180 50 0 DCAARO Cn1cc(C[NH2+]C[C@H]2CN(C)CCO2)c(-c2cccnc2)n1 ZINC000065624317 395995992 /nfs/dbraw/zinc/99/59/92/395995992.db2.gz IKHFDALCTIDJFZ-HNNXBMFYSA-N 1 0 301.394 0.902 50 0 DCAARO CNC(=O)c1ccc(CNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)o1 ZINC000252538482 396023096 /nfs/dbraw/zinc/02/30/96/396023096.db2.gz NBVZLKBOFUTXLF-DTORHVGOSA-N 1 0 317.349 0.862 50 0 DCAARO CCc1noc([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)n1 ZINC000252667877 396024116 /nfs/dbraw/zinc/02/41/16/396024116.db2.gz DMSIATKIKNVOSM-OUAUKWLOSA-N 1 0 316.427 0.953 50 0 DCAARO C[C@@H]1CN(C(=O)CN2CCN(c3ccccn3)CC2)C[C@H](C)[NH2+]1 ZINC000153972001 396028305 /nfs/dbraw/zinc/02/83/05/396028305.db2.gz JZNRPAMZTBHHMZ-GASCZTMLSA-N 1 0 317.437 0.412 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCCOc1ccccc1 ZINC000067587275 396028447 /nfs/dbraw/zinc/02/84/47/396028447.db2.gz UEBMGLRZPIRCFU-JSGCOSHPSA-N 1 0 305.378 0.520 50 0 DCAARO CCOc1ccc2[nH]c(=O)c(C[N@H+](C)C[C@@H](O)CO)cc2c1 ZINC000067588305 396028673 /nfs/dbraw/zinc/02/86/73/396028673.db2.gz RHFIJPWADUBRGD-CYBMUJFWSA-N 1 0 306.362 0.712 50 0 DCAARO Cc1cc(=O)cc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)[nH]1 ZINC000253535353 396029465 /nfs/dbraw/zinc/02/94/65/396029465.db2.gz VDFUFLSEYVVQDB-XNRPHZJLSA-N 1 0 319.405 0.965 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)/C=C/c1ccccc1 ZINC000067713153 396031837 /nfs/dbraw/zinc/03/18/37/396031837.db2.gz ICVRSBAQEHRAFK-FVWNJDPFSA-N 1 0 309.391 0.135 50 0 DCAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCS(=O)(=O)N(C)C)C1 ZINC000067743825 396032528 /nfs/dbraw/zinc/03/25/28/396032528.db2.gz BOUISWBSIBHUFI-LBPRGKRZSA-N 1 0 305.444 0.114 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc2cccnc2nc1C ZINC000067821830 396034906 /nfs/dbraw/zinc/03/49/06/396034906.db2.gz QHPNTWPBYUWJQX-AAEUAGOBSA-N 1 0 313.361 0.226 50 0 DCAARO COc1cc2[nH]c(=O)c(C[N@H+](C)CCO)cc2c(OC)c1OC ZINC000067856441 396037422 /nfs/dbraw/zinc/03/74/22/396037422.db2.gz OVKRLOYRUSCUGL-UHFFFAOYSA-N 1 0 322.361 0.978 50 0 DCAARO O=C(CO)NC[C@@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000067909752 396038891 /nfs/dbraw/zinc/03/88/91/396038891.db2.gz XJOFIHUCRXFMSM-HNNXBMFYSA-N 1 0 314.389 0.803 50 0 DCAARO CCn1nc(C)c(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@H]2C)c1C ZINC000257366453 396046963 /nfs/dbraw/zinc/04/69/63/396046963.db2.gz ZJCVWROAHABVOS-SKDRFNHKSA-N 1 0 300.428 0.748 50 0 DCAARO CN(Cc1[nH]nc2c1CCC2)C(=O)CC[N@H+](C)[C@@H]1CCN(C)C1 ZINC000252482149 396020013 /nfs/dbraw/zinc/02/00/13/396020013.db2.gz CZQGZIKYOSMZJV-CYBMUJFWSA-N 1 0 319.453 0.883 50 0 DCAARO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000069665555 396086348 /nfs/dbraw/zinc/08/63/48/396086348.db2.gz XKINAPNVCBZSFL-ZIAGYGMSSA-N 1 0 323.441 0.626 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000069699925 396087093 /nfs/dbraw/zinc/08/70/93/396087093.db2.gz ZXJQMAQVELKZHL-MCIONIFRSA-N 1 0 314.451 0.896 50 0 DCAARO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000069740508 396088804 /nfs/dbraw/zinc/08/88/04/396088804.db2.gz YNJAVRCAYRPNFY-ZIAGYGMSSA-N 1 0 302.378 0.931 50 0 DCAARO O=C(NCc1cccnc1)[C@H]1CCC(=O)N1C1CC[NH2+]CC1 ZINC000169676438 396090211 /nfs/dbraw/zinc/09/02/11/396090211.db2.gz UXEFISVZRYTPMB-CQSZACIVSA-N 1 0 302.378 0.441 50 0 DCAARO COC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)CC1 ZINC000069847685 396092459 /nfs/dbraw/zinc/09/24/59/396092459.db2.gz RIDCKLYMDDJZSB-TZMCWYRMSA-N 1 0 312.410 0.633 50 0 DCAARO O=C(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)N1CCNC(=O)C1 ZINC000170607297 396094916 /nfs/dbraw/zinc/09/49/16/396094916.db2.gz YPLWIBKNSBVAAA-CVEARBPZSA-N 1 0 315.417 0.946 50 0 DCAARO CC(C)NC(=O)C(=O)NCC[C@@H]1C[N@@H+](C2CCCC2)CCO1 ZINC000071278838 396111750 /nfs/dbraw/zinc/11/17/50/396111750.db2.gz VUCTVWGPRAHMCC-CQSZACIVSA-N 1 0 311.426 0.661 50 0 DCAARO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC2CCC2)CC1 ZINC000071799463 396115026 /nfs/dbraw/zinc/11/50/26/396115026.db2.gz HKKYTWZGRPCNQV-UHFFFAOYSA-N 1 0 308.426 0.736 50 0 DCAARO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000071819760 396116266 /nfs/dbraw/zinc/11/62/66/396116266.db2.gz FMXVTWAFYSGBBJ-ZDUSSCGKSA-N 1 0 316.361 0.212 50 0 DCAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000071825187 396117310 /nfs/dbraw/zinc/11/73/10/396117310.db2.gz LHVVCKKGSLSRFA-GFCCVEGCSA-N 1 0 301.412 0.017 50 0 DCAARO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000071859690 396119260 /nfs/dbraw/zinc/11/92/60/396119260.db2.gz IQVMJDSZVDMASS-UONOGXRCSA-N 1 0 321.425 0.576 50 0 DCAARO CC(C)COC[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000071897754 396124545 /nfs/dbraw/zinc/12/45/45/396124545.db2.gz KGMCOPBFPGSCQL-KGLIPLIRSA-N 1 0 300.447 0.593 50 0 DCAARO COc1ccc(OC)c([C@@H](O)CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000072254007 396127899 /nfs/dbraw/zinc/12/78/99/396127899.db2.gz SRNZWVTUUUPJRX-HOCLYGCPSA-N 1 0 324.421 1.000 50 0 DCAARO C[N@@H+](CC(=O)N1CCOCC1)C[C@@H]1CCCN1c1cccnn1 ZINC000072279447 396128648 /nfs/dbraw/zinc/12/86/48/396128648.db2.gz MYVZMYIUEVFUOG-AWEZNQCLSA-N 1 0 319.409 0.236 50 0 DCAARO C[C@@]1([C@@H]2CCC[N@H+](CCc3ccccn3)C2)NC(=O)NC1=O ZINC000072300750 396130627 /nfs/dbraw/zinc/13/06/27/396130627.db2.gz JXUAMWMGEBPSCP-WBMJQRKESA-N 1 0 302.378 0.934 50 0 DCAARO CCCC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)C(N)=O ZINC000072300490 396130706 /nfs/dbraw/zinc/13/07/06/396130706.db2.gz VGRSHNWZTTVZIG-SRVKXCTJSA-N 1 0 305.444 0.290 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000069493126 396080295 /nfs/dbraw/zinc/08/02/95/396080295.db2.gz LTROXEUWPVJFFU-CQSZACIVSA-N 1 0 307.398 0.218 50 0 DCAARO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2Cn2cncn2)CC1 ZINC000069620729 396084367 /nfs/dbraw/zinc/08/43/67/396084367.db2.gz AYYPGJVPMCYGTD-HNNXBMFYSA-N 1 0 320.441 0.343 50 0 DCAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069625288 396084671 /nfs/dbraw/zinc/08/46/71/396084671.db2.gz DYKGYJZWIHBTBU-ILXRZTDVSA-N 1 0 310.398 0.299 50 0 DCAARO Cc1nc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)sc1C ZINC000074221541 396160651 /nfs/dbraw/zinc/16/06/51/396160651.db2.gz PMXQMPPHHBHAAJ-LBPRGKRZSA-N 1 0 324.450 0.786 50 0 DCAARO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075603990 396182466 /nfs/dbraw/zinc/18/24/66/396182466.db2.gz RXWYFRSUCYJHQD-ZDUSSCGKSA-N 1 0 324.425 0.066 50 0 DCAARO O[C@]1(CNCc2ccc(-n3cccn3)cc2)C[NH2+]CCOC1 ZINC000077321841 396218280 /nfs/dbraw/zinc/21/82/80/396218280.db2.gz XUBAJBIFURQLPB-INIZCTEOSA-N 1 0 302.378 0.313 50 0 DCAARO [NH3+]CCn1cc(C(=O)NCc2nncn2C2CCCCC2)nn1 ZINC000077375926 396220491 /nfs/dbraw/zinc/22/04/91/396220491.db2.gz YSOWRKVFNZLMMA-UHFFFAOYSA-N 1 0 318.385 0.264 50 0 DCAARO CN(Cc1cc(-c2cccs2)n[nH]1)C[C@]1(O)C[NH2+]CCOC1 ZINC000077437309 396222044 /nfs/dbraw/zinc/22/20/44/396222044.db2.gz WZOBKBHMUARNSK-OAHLLOKOSA-N 1 0 322.434 0.921 50 0 DCAARO CCn1c(N)nc2cc(C(=O)NCC3CC[NH2+]CC3)cnc21 ZINC000077469992 396222729 /nfs/dbraw/zinc/22/27/29/396222729.db2.gz SWPCKYJRYLVXAF-UHFFFAOYSA-N 1 0 302.382 0.763 50 0 DCAARO CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000077471653 396224133 /nfs/dbraw/zinc/22/41/33/396224133.db2.gz CAPXLTZLOMAGJH-CABCVRRESA-N 1 0 300.362 0.554 50 0 DCAARO Cc1cc([C@@H]2CCCCN2C(=O)c2cn(CC[NH3+])nn2)no1 ZINC000077471546 396224147 /nfs/dbraw/zinc/22/41/47/396224147.db2.gz FRZZCWVIQSNFNO-ZDUSSCGKSA-N 1 0 304.354 0.901 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc(N2CCOCC2)c1 ZINC000077542361 396225580 /nfs/dbraw/zinc/22/55/80/396225580.db2.gz XSIQOERQXNNCOD-ZBFHGGJFSA-N 1 0 318.421 0.171 50 0 DCAARO COC(=O)c1cc(O)cc(C(=O)NC[C@H]2COCC[N@H+](C)C2)c1 ZINC000584891704 396634250 /nfs/dbraw/zinc/63/42/50/396634250.db2.gz UPZPBMZGQGVUKA-LLVKDONJSA-N 1 0 322.361 0.487 50 0 DCAARO C[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3cnccn3)C2)CC1 ZINC000584902088 396637158 /nfs/dbraw/zinc/63/71/58/396637158.db2.gz SEFXHDWBHKZNNZ-AWEZNQCLSA-N 1 0 318.425 0.793 50 0 DCAARO COc1c(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)nn1C ZINC000130578126 196092155 /nfs/dbraw/zinc/09/21/55/196092155.db2.gz ITAGMSDLVOILLK-GFCCVEGCSA-N 1 0 309.414 0.830 50 0 DCAARO O=C(CCn1cccn1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000044911270 415230644 /nfs/dbraw/zinc/23/06/44/415230644.db2.gz VRFNGFQHMHECAO-OAHLLOKOSA-N 1 0 306.410 0.987 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000048428901 415291065 /nfs/dbraw/zinc/29/10/65/415291065.db2.gz VTWHYZIEUHASAB-UONOGXRCSA-N 1 0 311.426 0.329 50 0 DCAARO O=S1(=O)CC[C@@H](C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000048709555 415294305 /nfs/dbraw/zinc/29/43/05/415294305.db2.gz MVWSWRGMLHYWQM-LBPRGKRZSA-N 1 0 310.423 0.601 50 0 DCAARO CCn1c(=O)n(Cc2noc(C3CC3)n2)nc1[C@H]1CCC[NH2+]C1 ZINC000067741502 415383273 /nfs/dbraw/zinc/38/32/73/415383273.db2.gz WMGSIHDRBFIDIP-NSHDSACASA-N 1 0 318.381 0.840 50 0 DCAARO COc1ccc2cc(C[N@@H+]3CCNC(=O)CC3)c(=O)[nH]c2c1 ZINC000067713406 415385015 /nfs/dbraw/zinc/38/50/15/415385015.db2.gz NVJFCGTYOJTYPE-UHFFFAOYSA-N 1 0 301.346 0.859 50 0 DCAARO CNS(=O)(=O)CCNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067696045 415385298 /nfs/dbraw/zinc/38/52/98/415385298.db2.gz GUNGRVBYBMNOEQ-UHFFFAOYSA-N 1 0 313.427 0.213 50 0 DCAARO Cc1nc(C)n(CCNc2nc(N(C)C)nc3c2CC[NH2+]C3)n1 ZINC000067725762 415385985 /nfs/dbraw/zinc/38/59/85/415385985.db2.gz RPNWOIIMTMKWEY-UHFFFAOYSA-N 1 0 316.413 0.509 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCn1cnc2ccccc21 ZINC000067714583 415386192 /nfs/dbraw/zinc/38/61/92/415386192.db2.gz BPXPWMFYFWQIKR-FZMZJTMJSA-N 1 0 315.377 0.101 50 0 DCAARO CNC(=O)NC(=O)CC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000084191758 415494013 /nfs/dbraw/zinc/49/40/13/415494013.db2.gz XVHBBVWQCMMXHA-UHFFFAOYSA-N 1 0 320.397 0.143 50 0 DCAARO C[NH+](C)CCCNC(=O)c1nnn2c1c(=O)[nH]c1ccccc12 ZINC000075532342 415447451 /nfs/dbraw/zinc/44/74/51/415447451.db2.gz PYPUMZCGCWULID-UHFFFAOYSA-N 1 0 314.349 0.252 50 0 DCAARO Nc1n[nH]c(CNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)n1 ZINC000095358443 415552281 /nfs/dbraw/zinc/55/22/81/415552281.db2.gz MNRWXEGWUCJXRD-GFCCVEGCSA-N 1 0 300.366 0.784 50 0 DCAARO Cc1cccc2c(=O)n(CC(=O)NC[C@H]3CCC[N@H+]3C)cnc12 ZINC000095955528 415563985 /nfs/dbraw/zinc/56/39/85/415563985.db2.gz OQIQIVNTVQFURW-CYBMUJFWSA-N 1 0 314.389 0.915 50 0 DCAARO Cn1nc2c(cc1=O)CN(C(=O)[C@@H](C[NH3+])c1ccccc1)CC2 ZINC000095971687 415569216 /nfs/dbraw/zinc/56/92/16/415569216.db2.gz BHAQOYBTXTZOMU-AWEZNQCLSA-N 1 0 312.373 0.408 50 0 DCAARO CCn1cc(CN2CCCN(C(=O)C3(C)C[NH2+]C3)CC2)cn1 ZINC000333284093 415601987 /nfs/dbraw/zinc/60/19/87/415601987.db2.gz MZYMJJNBNAMVSP-UHFFFAOYSA-N 1 0 305.426 0.547 50 0 DCAARO C[C@H](Nc1cc(-n2cccn2)nc(N)[nH+]1)c1nnc2n1CCC2 ZINC000097115238 415586419 /nfs/dbraw/zinc/58/64/19/415586419.db2.gz FSPDMJREQONHGT-VIFPVBQESA-N 1 0 311.353 0.955 50 0 DCAARO C[C@@H]1CN(C(=O)COc2ccc(CC(N)=O)cc2)C[C@H](C)[NH2+]1 ZINC000153617010 415983870 /nfs/dbraw/zinc/98/38/70/415983870.db2.gz GGSLSBMKEUJYIQ-TXEJJXNPSA-N 1 0 305.378 0.302 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)CC[NH2+]1 ZINC000155057809 415992905 /nfs/dbraw/zinc/99/29/05/415992905.db2.gz BXHJZKYHZITFDV-TZMCWYRMSA-N 1 0 310.419 0.463 50 0 DCAARO Cc1sc(C(=O)N2CCC[C@H]([NH3+])C2)cc1S(N)(=O)=O ZINC000157760118 416000123 /nfs/dbraw/zinc/00/01/23/416000123.db2.gz PSUWMNHECNPPNM-QMMMGPOBSA-N 1 0 303.409 0.267 50 0 DCAARO Cc1ccc(N2CCC[N@H+](C[C@H](O)Cn3cccn3)CC2)nn1 ZINC000171628359 416041319 /nfs/dbraw/zinc/04/13/19/416041319.db2.gz OILCZFCKXCKSAI-HNNXBMFYSA-N 1 0 316.409 0.555 50 0 DCAARO Cc1[nH]nc(C(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)c1Cl ZINC000299758117 416063696 /nfs/dbraw/zinc/06/36/96/416063696.db2.gz CJQXTKNQNCKEJS-NSHDSACASA-N 1 0 311.817 0.833 50 0 DCAARO Cc1ccc(C(N)=O)cc1NC(=O)NC[C@]1(O)CCC[NH2+]C1 ZINC000299773864 416065771 /nfs/dbraw/zinc/06/57/71/416065771.db2.gz GDUDYWFSWMXVAQ-HNNXBMFYSA-N 1 0 306.366 0.330 50 0 DCAARO CO[C@]12CC[N@H+](Cc3cn(CCO)nc3C)[C@H]1C[C@H](O)CC2 ZINC000299777152 416067835 /nfs/dbraw/zinc/06/78/35/416067835.db2.gz OYKWWRSNMHQHPA-OWCLPIDISA-N 1 0 309.410 0.688 50 0 DCAARO Cc1cccc(=O)n1CCCNC(=O)[C@H]1[C@@H]([NH3+])[C@H]2C=C[C@@H]1C2 ZINC000299798377 416071441 /nfs/dbraw/zinc/07/14/41/416071441.db2.gz RGWACAORMDMMSV-CLWVCHIJSA-N 1 0 301.390 0.812 50 0 DCAARO C[C@@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)C[C@H](C)[NH2+]1 ZINC000179149681 416183277 /nfs/dbraw/zinc/18/32/77/416183277.db2.gz SZRYUUMEBGNMRQ-PHIMTYICSA-N 1 0 311.407 0.298 50 0 DCAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189567078 416268369 /nfs/dbraw/zinc/26/83/69/416268369.db2.gz HAMFXDSPAHDYNK-NEPJUHHUSA-N 1 0 323.359 0.538 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN([C@@H](C(N)=O)c2ccc(F)cc2)C[C@H]1C ZINC000247229603 416332480 /nfs/dbraw/zinc/33/24/80/416332480.db2.gz RDAFNZFGVMKGIS-TYNCELHUSA-N 1 0 309.385 0.739 50 0 DCAARO c1cnc(-c2noc(-c3cncnc3N[C@H]3CC[NH2+]C3)n2)cn1 ZINC000263618191 416338383 /nfs/dbraw/zinc/33/83/83/416338383.db2.gz RSIHPHZSQKBKON-VIFPVBQESA-N 1 0 310.321 0.757 50 0 DCAARO CS(=O)(=O)NCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000195544700 416326765 /nfs/dbraw/zinc/32/67/65/416326765.db2.gz BGPPRHXOMFBJTR-JSGCOSHPSA-N 1 0 301.456 0.484 50 0 DCAARO CC(C)n1cnnc1[C@H](C)NC(=O)CCN1CC[NH+](C)CC1 ZINC000244673754 416330870 /nfs/dbraw/zinc/33/08/70/416330870.db2.gz HUXFNGPLHWKNPG-ZDUSSCGKSA-N 1 0 308.430 0.674 50 0 DCAARO O=S1(=O)C[C@H](O)[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000245237569 416331062 /nfs/dbraw/zinc/33/10/62/416331062.db2.gz NZYRXLCDZBUGLI-KKUMJFAQSA-N 1 0 310.419 0.008 50 0 DCAARO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1nnc(N)s1 ZINC000534644197 416505756 /nfs/dbraw/zinc/50/57/56/416505756.db2.gz KLAQNWOPEYGWOE-NSHDSACASA-N 1 0 305.407 0.909 50 0 DCAARO CNc1ncc(C(=O)N2CCC([N@H+](C)CCN(C)C)CC2)cn1 ZINC000584888279 416515722 /nfs/dbraw/zinc/51/57/22/416515722.db2.gz RIPHDNDPNZDTOL-UHFFFAOYSA-N 1 0 320.441 0.616 50 0 DCAARO Cc1cc(=O)[nH]c(NCCNC(=O)C2(C)CC[NH+](C)CC2)n1 ZINC000426505917 416770547 /nfs/dbraw/zinc/77/05/47/416770547.db2.gz VJWDGEBZHFTPNV-UHFFFAOYSA-N 1 0 307.398 0.751 50 0 DCAARO CCn1nc(C)c(S(=O)(=O)NC2(C[NH3+])CCOCC2)c1C ZINC000528055952 417298864 /nfs/dbraw/zinc/29/88/64/417298864.db2.gz JDKGYQTUCDERIS-UHFFFAOYSA-N 1 0 316.427 0.306 50 0 DCAARO Cc1c(-c2cc3c(c(F)c2)O[C@@H](C[NH3+])C3)c(=O)n(C)c(=O)n1C ZINC000067679380 278581345 /nfs/dbraw/zinc/58/13/45/278581345.db2.gz IFKNJVDDXWSGSH-LLVKDONJSA-N 1 0 319.336 0.461 50 0 DCAARO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)C(=O)N1CCCC1 ZINC000229308471 290018700 /nfs/dbraw/zinc/01/87/00/290018700.db2.gz AIXSNROCOPGPJS-RWMBFGLXSA-N 1 0 317.455 0.257 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])[C@H](C)CO1 ZINC000299738441 297049492 /nfs/dbraw/zinc/04/94/92/297049492.db2.gz ATMYTQDOYWUOHP-LOWDOPEQSA-N 1 0 305.444 0.400 50 0 DCAARO CN1CC[NH+](CC2(CNC(=O)C[C@H]3CCCOC3)CC2)CC1 ZINC000534593064 334294958 /nfs/dbraw/zinc/29/49/58/334294958.db2.gz JLJMAGJTBJJXRG-OAHLLOKOSA-N 1 0 309.454 0.947 50 0 DCAARO Cc1ccccc1[C@@H](CNC(=O)CNC(=O)N(C)C)[NH+](C)C ZINC000534646682 334306777 /nfs/dbraw/zinc/30/67/77/334306777.db2.gz XICZGJWOERHKEW-CQSZACIVSA-N 1 0 306.410 0.985 50 0 DCAARO Cc1cc(F)ccc1S(=O)(=O)NC[C@@]1(O)CCC[NH2+]C1 ZINC000534658739 334314982 /nfs/dbraw/zinc/31/49/82/334314982.db2.gz SXSOAHVOXZAHMA-CYBMUJFWSA-N 1 0 302.371 0.527 50 0 DCAARO Cc1cc(F)cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000097105680 337382313 /nfs/dbraw/zinc/38/23/13/337382313.db2.gz QEYBXMUIXXXMLL-UHFFFAOYSA-N 1 0 315.414 0.660 50 0 DCAARO Cn1cc(CN(C[C@]2(O)C[NH2+]CCOC2)C2CCCCC2)cn1 ZINC000077489500 545678158 /nfs/dbraw/zinc/67/81/58/545678158.db2.gz KSWLQCMYVNYMBU-QGZVFWFLSA-N 1 0 322.453 0.906 50 0 DCAARO Cc1cc([C@@H]2CCC[N@H+](C[C@H](O)CN3CCCC3=O)C2)[nH]n1 ZINC000084111109 545700774 /nfs/dbraw/zinc/70/07/74/545700774.db2.gz HNNWLJWUGUWMPC-KGLIPLIRSA-N 1 0 306.410 0.881 50 0 DCAARO O=C(Cc1cnccn1)N1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000215995444 545938813 /nfs/dbraw/zinc/93/88/13/545938813.db2.gz FCRWLHKYBJGYLS-AWEZNQCLSA-N 1 0 318.421 0.714 50 0 DCAARO C[NH+](C)[C@H]1CCN(C(=O)CCCN2CCCCC2=O)C[C@@H]1O ZINC000670448973 547095242 /nfs/dbraw/zinc/09/52/42/547095242.db2.gz VGKZOZCMRHTXPO-KBPBESRZSA-N 1 0 311.426 0.303 50 0 DCAARO CCCn1nccc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000670462287 547099018 /nfs/dbraw/zinc/09/90/18/547099018.db2.gz BJGRQYKXODIUHQ-LBPRGKRZSA-N 1 0 300.428 0.865 50 0 DCAARO O=S(=O)(NCC1(C(F)(F)F)CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000725264690 548750265 /nfs/dbraw/zinc/75/02/65/548750265.db2.gz JHOIYAHWEOPVJU-SECBINFHSA-N 1 0 316.345 0.627 50 0 DCAARO O=C(NCCc1cc[nH]n1)C1CC[NH+](C2CCOCC2)CC1 ZINC000426684359 661694636 /nfs/dbraw/zinc/69/46/36/661694636.db2.gz DNAMUUBZYAYLKA-UHFFFAOYSA-N 1 0 306.410 0.959 50 0 DCAARO C[C@H]1COCCN1CC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000191469479 662708723 /nfs/dbraw/zinc/70/87/23/662708723.db2.gz UACPGVJLICDYBZ-HNNXBMFYSA-N 1 0 322.453 0.776 50 0 DCAARO Cn1ccnc1CC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000171632796 664611181 /nfs/dbraw/zinc/61/11/81/664611181.db2.gz ZMMMJYNZTGKRSP-OAHLLOKOSA-N 1 0 303.410 0.932 50 0 DCAARO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)c1nc(C)c[nH]1 ZINC000952963588 685598489 /nfs/dbraw/zinc/59/84/89/685598489.db2.gz JCWDBCSCZKJVMX-VXGBXAGGSA-N 1 0 307.398 0.483 50 0 DCAARO O=C(C[NH+]1CCCC1)NCC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000952983998 685601611 /nfs/dbraw/zinc/60/16/11/685601611.db2.gz YORCGAZHEMXABY-UHFFFAOYSA-N 1 0 319.409 0.474 50 0 DCAARO NC(=O)CCn1cc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)cn1 ZINC000067675555 685069588 /nfs/dbraw/zinc/06/95/88/685069588.db2.gz HYIILQQUKNWZDQ-GFCCVEGCSA-N 1 0 304.325 0.827 50 0 DCAARO Cc1nncn1CC[N@@H+]1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001772711482 1157849103 /nfs/dbraw/zinc/84/91/03/1157849103.db2.gz ZEYPELJQXDAYLK-CQSZACIVSA-N 1 0 307.398 0.157 50 0 DCAARO Cc1cc(C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)C[C@H]2O)[nH]n1 ZINC001704354275 1179982853 /nfs/dbraw/zinc/98/28/53/1179982853.db2.gz ZPGUQJNXVBIQSR-CZUORRHYSA-N 1 0 320.437 0.954 50 0 DCAARO CCCCn1nc(CC(N)=O)nc1-c1n[nH]c2c1C[N@H+](C)CC2 ZINC000822888889 758212063 /nfs/dbraw/zinc/21/20/63/758212063.db2.gz RZLRKRHOIGAAQS-UHFFFAOYSA-N 1 0 317.397 0.484 50 0 DCAARO CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC000827831766 758888150 /nfs/dbraw/zinc/88/81/50/758888150.db2.gz GLNDMYRPQWZSQX-ZDUSSCGKSA-N 1 0 317.455 0.403 50 0 DCAARO O=S(=O)(N1CCCC1)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000828388632 759002519 /nfs/dbraw/zinc/00/25/19/759002519.db2.gz QUIOCQLFOKOXJH-AWEZNQCLSA-N 1 0 317.455 0.371 50 0 DCAARO O=S(=O)(NCCC[N@H+]1CCC[C@@H](CO)C1)N1CCCC1 ZINC000828711191 759073887 /nfs/dbraw/zinc/07/38/87/759073887.db2.gz PJWGYOFHLZJMCE-CYBMUJFWSA-N 1 0 305.444 0.011 50 0 DCAARO O=c1ccc(-n2cccn2)nn1CC1CC[NH+](CCO)CC1 ZINC000585501843 768083047 /nfs/dbraw/zinc/08/30/47/768083047.db2.gz MUOCDQRXCGHWDI-UHFFFAOYSA-N 1 0 303.366 0.133 50 0 DCAARO C[NH2+]CC1CCN(S(=O)(=O)N2CCC[C@@H]2COC)CC1 ZINC000696581677 765468241 /nfs/dbraw/zinc/46/82/41/765468241.db2.gz DQKXOGWARPSGOW-CYBMUJFWSA-N 1 0 305.444 0.273 50 0 DCAARO C[NH2+]C[C@H](O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000952878141 768942187 /nfs/dbraw/zinc/94/21/87/768942187.db2.gz ZFEJRBHOHAJHPX-ZDUSSCGKSA-N 1 0 304.394 0.959 50 0 DCAARO C[NH2+]CCNC(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 ZINC001529138858 1014502233 /nfs/dbraw/zinc/50/22/33/1014502233.db2.gz JOJGBSWQHYIZEH-CVEARBPZSA-N 1 0 319.405 0.699 50 0 DCAARO CC(C)C[N@@H+]1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)C[C@@H]1CCO ZINC001529198865 1014519107 /nfs/dbraw/zinc/51/91/07/1014519107.db2.gz MJQLNWIOYCUZHL-ZDUSSCGKSA-N 1 0 310.398 0.412 50 0 DCAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N2CC(=O)NC2=O)cc1 ZINC000082108385 192355967 /nfs/dbraw/zinc/35/59/67/192355967.db2.gz RAYLJDPOAUQCJR-QWRGUYRKSA-N 1 0 320.324 0.173 50 0 DCAARO Cc1cccc2c(O)c(C(=O)N3CC[C@@H]([NH3+])[C@H](O)C3)cnc12 ZINC000082096744 192354827 /nfs/dbraw/zinc/35/48/27/192354827.db2.gz HSHYEGISIUYNLN-CHWSQXEVSA-N 1 0 301.346 0.371 50 0 DCAARO [NH3+]CC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096999940 185396026 /nfs/dbraw/zinc/39/60/26/185396026.db2.gz JPCNQCWZFBQELM-UHFFFAOYSA-N 1 0 315.370 0.007 50 0 DCAARO C[N@@H+]1CCC[C@H](CCC(=O)NCCc2nc(N)cc(=O)[nH]2)C1 ZINC000095391868 185351876 /nfs/dbraw/zinc/35/18/76/185351876.db2.gz AWPQBUWBRLWJOW-LLVKDONJSA-N 1 0 307.398 0.133 50 0 DCAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C1(Cn2cccn2)CC1 ZINC000220724045 282272861 /nfs/dbraw/zinc/27/28/61/282272861.db2.gz KGEDYIPTFCOYEN-XJFOESAGSA-N 1 0 304.394 0.497 50 0 DCAARO O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000108357066 185508071 /nfs/dbraw/zinc/50/80/71/185508071.db2.gz LDUNOOLMIWQQQG-VOAKCMCISA-N 1 0 300.424 0.601 50 0 DCAARO CC[C@@H]1C[N@@H+](C(CO)CO)CCC(=O)N1Cc1ccccc1 ZINC000071746615 191018811 /nfs/dbraw/zinc/01/88/11/191018811.db2.gz WZXLIPXSUCLMLX-OAHLLOKOSA-N 1 0 306.406 0.853 50 0 DCAARO O=C(CO)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072130828 191044465 /nfs/dbraw/zinc/04/44/65/191044465.db2.gz JOWPIOIMQHDWHW-INIZCTEOSA-N 1 0 321.396 0.931 50 0 DCAARO COC(=O)c1cn(CCC[NH+]2CCOCC2)cc2c(=O)[nH]nc1-2 ZINC000253402031 186307174 /nfs/dbraw/zinc/30/71/74/186307174.db2.gz FZHMWOLWKXYSKM-UHFFFAOYSA-N 1 0 320.349 0.185 50 0 DCAARO Cn1cc([C@H](O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000253404955 186307916 /nfs/dbraw/zinc/30/79/16/186307916.db2.gz WMMXNLWBPGIQIB-ZFWWWQNUSA-N 1 0 322.409 0.024 50 0 DCAARO Cc1nc[nH]c1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000072417812 191155940 /nfs/dbraw/zinc/15/59/40/191155940.db2.gz SNTIVGHCTRHWRG-DZGCQCFKSA-N 1 0 306.410 0.913 50 0 DCAARO CCn1ncnc1[C@@H](C)NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072430964 191162259 /nfs/dbraw/zinc/16/22/59/191162259.db2.gz FRJBRJCHRYLNHP-LLVKDONJSA-N 1 0 317.397 0.408 50 0 DCAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cn2)n1 ZINC000237703417 202331829 /nfs/dbraw/zinc/33/18/29/202331829.db2.gz KGEDVKJAODJVEA-CHWSQXEVSA-N 1 0 301.350 0.545 50 0 DCAARO O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1C[NH2+]CCO1 ZINC000237851434 202370168 /nfs/dbraw/zinc/37/01/68/202370168.db2.gz SWTBPNFXIQIQRL-YPMHNXCESA-N 1 0 307.325 0.036 50 0 DCAARO O=C(NC[C@H]1CCCC[C@H]1O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000262309434 238172227 /nfs/dbraw/zinc/17/22/27/238172227.db2.gz PMTHKGPGHDMIAF-BXUZGUMPSA-N 1 0 307.398 0.484 50 0 DCAARO C[NH+](C)CC[C@H](NC(=O)N1CC(S(C)(=O)=O)C1)C(C)(C)C ZINC000408523577 239273054 /nfs/dbraw/zinc/27/30/54/239273054.db2.gz LKQDQFMDECWVKB-LBPRGKRZSA-N 1 0 319.471 0.791 50 0 DCAARO C[N@H+](CCO)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1CO ZINC000091643900 193084402 /nfs/dbraw/zinc/08/44/02/193084402.db2.gz HPNAYLBDZBRXEX-HUUCEWRRSA-N 1 0 322.405 0.380 50 0 DCAARO Cc1nccn1Cc1nnc(C2CCN(CC[NH3+])CC2)n1C ZINC000091713685 193095698 /nfs/dbraw/zinc/09/56/98/193095698.db2.gz PDHQKMSKPMAIEW-UHFFFAOYSA-N 1 0 303.414 0.506 50 0 DCAARO Cc1nccn1Cc1nnc(C2CC[NH+](CCCO)CC2)n1C ZINC000091849023 193116934 /nfs/dbraw/zinc/11/69/34/193116934.db2.gz SENJUBZANQARCQ-UHFFFAOYSA-N 1 0 318.425 0.930 50 0 DCAARO [NH3+]CCN1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 ZINC000091895872 193124332 /nfs/dbraw/zinc/12/43/32/193124332.db2.gz TUYFIPCEFGTVJO-UHFFFAOYSA-N 1 0 315.425 0.996 50 0 DCAARO CNS(=O)(=O)CC[NH2+]Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000092022834 193143980 /nfs/dbraw/zinc/14/39/80/193143980.db2.gz IHLOVYDASUWMHA-UHFFFAOYSA-N 1 0 323.418 0.784 50 0 DCAARO Cc1cc(N)nc(NCCc2ccc(S(N)(=O)=O)cc2)[nH+]1 ZINC000217462958 201517779 /nfs/dbraw/zinc/51/77/79/201517779.db2.gz FCRXUUASQMVZCN-UHFFFAOYSA-N 1 0 307.379 0.669 50 0 DCAARO CCCC[NH2+]CCn1c(C)cn2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000007425483 181465448 /nfs/dbraw/zinc/46/54/48/181465448.db2.gz SEDGJQFHHYIULO-UHFFFAOYSA-N 1 0 318.381 0.374 50 0 DCAARO Cc1csc2ncc(C(=O)NCC[NH+]3CCCC3)c(=O)n12 ZINC000021652760 182282634 /nfs/dbraw/zinc/28/26/34/182282634.db2.gz WZHTUQNZQQSZIC-UHFFFAOYSA-N 1 0 306.391 0.890 50 0 DCAARO NC(=O)NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000024245164 182377910 /nfs/dbraw/zinc/37/79/10/182377910.db2.gz VDKDLUNHGFJNSL-UHFFFAOYSA-N 1 0 308.357 0.528 50 0 DCAARO CC(C)C[C@H](C)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000027138002 182463395 /nfs/dbraw/zinc/46/33/95/182463395.db2.gz JOZIWXWCHQKGCW-JTQLQIEISA-N 1 0 310.398 0.215 50 0 DCAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000040512942 183088032 /nfs/dbraw/zinc/08/80/32/183088032.db2.gz GPGKSHHDIZKROL-UHFFFAOYSA-N 1 0 314.393 0.716 50 0 DCAARO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000058123493 184077594 /nfs/dbraw/zinc/07/75/94/184077594.db2.gz IYACIWIUSQADGQ-QWRGUYRKSA-N 1 0 307.350 0.650 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)Cn1cccn1 ZINC000065475089 184351781 /nfs/dbraw/zinc/35/17/81/184351781.db2.gz IYJVSIPKSPPDED-CYBMUJFWSA-N 1 0 318.425 0.940 50 0 DCAARO Cc1nn(CC[N@@H+]2CCC[C@H](CO)C2)cc1CN1CCOCC1 ZINC000065507343 184356465 /nfs/dbraw/zinc/35/64/65/184356465.db2.gz XTNFMQKPGDKNLZ-INIZCTEOSA-N 1 0 322.453 0.728 50 0 DCAARO COc1ccc(C(=O)N(C)C[C@H]2COCCO2)cc1OCC[NH3+] ZINC000426546183 257246562 /nfs/dbraw/zinc/24/65/62/257246562.db2.gz MTEWBIAFIIRDBO-ZDUSSCGKSA-N 1 0 324.377 0.520 50 0 DCAARO [NH3+]CCCOc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1Cl ZINC000426548763 257246935 /nfs/dbraw/zinc/24/69/35/257246935.db2.gz KLYGOBXPTSXTCX-LLVKDONJSA-N 1 0 311.769 0.686 50 0 DCAARO COCC[NH+]1CCC(CN(C)C(=O)NCc2nc[nH]n2)CC1 ZINC000426431748 257250161 /nfs/dbraw/zinc/25/01/61/257250161.db2.gz GSELHZBUCJTSAE-UHFFFAOYSA-N 1 0 310.402 0.305 50 0 DCAARO Cc1nnc(CNC(=O)N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)[nH]1 ZINC000426434492 257250399 /nfs/dbraw/zinc/25/03/99/257250399.db2.gz QGNSCASLCWDWQM-ZDUSSCGKSA-N 1 0 324.429 0.347 50 0 DCAARO CC(C)CN1CCO[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000252486336 257258489 /nfs/dbraw/zinc/25/84/89/257258489.db2.gz IQMCKIMIHKLMBS-UONOGXRCSA-N 1 0 304.456 0.510 50 0 DCAARO CC(C)C[C@@H](CNC(=O)[C@@H](C)n1cncn1)N1CCOCC1 ZINC000045236563 257269988 /nfs/dbraw/zinc/26/99/88/257269988.db2.gz BTXNTSMGEKCPLT-KGLIPLIRSA-N 1 0 309.414 0.702 50 0 DCAARO O=S(=O)(N1CCOCC1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC000012363398 395687342 /nfs/dbraw/zinc/68/73/42/395687342.db2.gz JVSSKTPDZJHHIH-UHFFFAOYSA-N 1 0 317.455 0.275 50 0 DCAARO C[NH2+]Cc1cn(CC2CCN(c3cc(OC)ncn3)CC2)nn1 ZINC000020600063 395691345 /nfs/dbraw/zinc/69/13/45/395691345.db2.gz WWZAQNNRZVLVCR-UHFFFAOYSA-N 1 0 317.397 0.713 50 0 DCAARO C[N@@H+]1CCCN(C(=S)NCCCN2CCOCC2)CC1 ZINC000002161115 395681455 /nfs/dbraw/zinc/68/14/55/395681455.db2.gz HTVBQTJJTCKZMC-UHFFFAOYSA-N 1 0 300.472 0.221 50 0 DCAARO CC[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CC1 ZINC000029913711 395700407 /nfs/dbraw/zinc/70/04/07/395700407.db2.gz PBJMXDYAYMBGSY-UHFFFAOYSA-N 1 0 323.418 0.707 50 0 DCAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CNC(=O)N1 ZINC000089834909 395715817 /nfs/dbraw/zinc/71/58/17/395715817.db2.gz YHKOGYPOSZMBBG-OAHLLOKOSA-N 1 0 316.405 0.696 50 0 DCAARO NC(=O)C1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000033018727 395716218 /nfs/dbraw/zinc/71/62/18/395716218.db2.gz SSRYENAZUVUFNB-CQSZACIVSA-N 1 0 310.369 0.901 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000089937282 395717379 /nfs/dbraw/zinc/71/73/79/395717379.db2.gz UHYQICMSXAGYFT-YOEHRIQHSA-N 1 0 319.453 0.447 50 0 DCAARO O=C(Cn1nnc2ccccc2c1=O)NCC[NH+]1CCCC1 ZINC000034531155 395718330 /nfs/dbraw/zinc/71/83/30/395718330.db2.gz GDLPMKMAIZAMKV-UHFFFAOYSA-N 1 0 301.350 0.004 50 0 DCAARO CC(=O)N[C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000028012551 395695651 /nfs/dbraw/zinc/69/56/51/395695651.db2.gz XRKDFMZYIWIQEC-CABCVRRESA-N 1 0 313.442 0.620 50 0 DCAARO CNC(=O)C1CC[NH+](Cc2nn3c(nc(C)cc3=O)s2)CC1 ZINC000029146683 395697343 /nfs/dbraw/zinc/69/73/43/395697343.db2.gz ZOLVUHKLNWPJGO-UHFFFAOYSA-N 1 0 321.406 0.417 50 0 DCAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000084736341 395698802 /nfs/dbraw/zinc/69/88/02/395698802.db2.gz YSORVVREZOPIDB-FZMZJTMJSA-N 1 0 316.423 0.922 50 0 DCAARO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(c2ccccc2F)CC1 ZINC000039519502 395732676 /nfs/dbraw/zinc/73/26/76/395732676.db2.gz LANMZQQYYGPDRD-AWEZNQCLSA-N 1 0 321.396 0.931 50 0 DCAARO CS(=O)(=O)NCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000037324551 395726381 /nfs/dbraw/zinc/72/63/81/395726381.db2.gz NXDJOGWAEVJIFG-UHFFFAOYSA-N 1 0 320.798 0.750 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000095402443 395740344 /nfs/dbraw/zinc/74/03/44/395740344.db2.gz CABSESQOTSRDKF-SWLSCSKDSA-N 1 0 321.425 0.753 50 0 DCAARO CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000096404638 395752713 /nfs/dbraw/zinc/75/27/13/395752713.db2.gz INLYJLWAOKHDLL-SNVBAGLBSA-N 1 0 314.386 0.431 50 0 DCAARO Cc1cccn(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1=O ZINC000096455272 395754066 /nfs/dbraw/zinc/75/40/66/395754066.db2.gz JOXGBPKRQVKWNL-HNNXBMFYSA-N 1 0 321.421 0.630 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H]1CO)N[C@@H]1CCN(c2ccccn2)C1 ZINC000096494432 395754145 /nfs/dbraw/zinc/75/41/45/395754145.db2.gz CHBMRFXNZJXXBH-ZIAGYGMSSA-N 1 0 304.394 0.233 50 0 DCAARO CC(CO)(CO)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000097373270 395757581 /nfs/dbraw/zinc/75/75/81/395757581.db2.gz BHBQKWSZBAXXRW-HNNXBMFYSA-N 1 0 306.406 0.758 50 0 DCAARO OCCN1CC[N@@H+](C2CCN(c3ccccc3)CC2)C[C@@H](O)C1 ZINC000097717035 395760568 /nfs/dbraw/zinc/76/05/68/395760568.db2.gz AWWAWWQUXQSSDZ-SFHVURJKSA-N 1 0 319.449 0.626 50 0 DCAARO O=C(Cc1nc2cc(Cl)ccc2[nH]1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000218987022 395843953 /nfs/dbraw/zinc/84/39/53/395843953.db2.gz CMTXHQSTZWFVHY-ZYHUDNBSSA-N 1 0 308.769 0.598 50 0 DCAARO NC(=O)CCC1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000219090164 395844804 /nfs/dbraw/zinc/84/48/04/395844804.db2.gz AGSRMKFGPTVWCI-UHFFFAOYSA-N 1 0 318.425 0.745 50 0 DCAARO CC(C)OCC(=O)N1CCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000219655744 395846416 /nfs/dbraw/zinc/84/64/16/395846416.db2.gz STGDGAWYZJTUIY-CQSZACIVSA-N 1 0 310.398 0.245 50 0 DCAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1cccc(=O)[nH]1 ZINC000219945596 395847140 /nfs/dbraw/zinc/84/71/40/395847140.db2.gz AQWGIEZGPZBWQO-AQNFWKISSA-N 1 0 303.362 0.356 50 0 DCAARO Cc1c(C(=O)N2CCN(C(C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000236611676 395895015 /nfs/dbraw/zinc/89/50/15/395895015.db2.gz DGRGGQWLQBJNTI-UHFFFAOYSA-N 1 0 320.441 0.677 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000125750250 395905686 /nfs/dbraw/zinc/90/56/86/395905686.db2.gz LRTKJWXDSIUFRP-NSHDSACASA-N 1 0 313.361 0.405 50 0 DCAARO COCCN(Cc1cccnc1)C(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000244817067 395925263 /nfs/dbraw/zinc/92/52/63/395925263.db2.gz STVBNLBIOHUUFC-MRXNPFEDSA-N 1 0 320.437 0.693 50 0 DCAARO CCC[C@H]([NH3+])C(=O)N1CCN(c2ccc3nccn3n2)CC1 ZINC000244828580 395925484 /nfs/dbraw/zinc/92/54/84/395925484.db2.gz TYUFZVBRIBQFHH-LBPRGKRZSA-N 1 0 302.382 0.505 50 0 DCAARO COc1nc(C)cc(C)c1CNC(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000244840242 395925487 /nfs/dbraw/zinc/92/54/87/395925487.db2.gz UJPSTMNBOWBSEL-CQSZACIVSA-N 1 0 320.437 0.959 50 0 DCAARO CCc1nnc(NC(=O)CC[N@H+](C)C[C@H]2COCCO2)s1 ZINC000244817216 395925550 /nfs/dbraw/zinc/92/55/50/395925550.db2.gz SWGWZRMDMYHHMB-JTQLQIEISA-N 1 0 314.411 0.776 50 0 DCAARO C[C@@H]1C[NH+](C[C@H](O)Cn2nnc(-c3ccsc3)n2)C[C@@H](C)O1 ZINC000225708879 395863037 /nfs/dbraw/zinc/86/30/37/395863037.db2.gz LRRBZAOOCIKYLI-WZRBSPASSA-N 1 0 323.422 0.872 50 0 DCAARO O=C(NCCc1ccc(Br)s1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000226304601 395865196 /nfs/dbraw/zinc/86/51/96/395865196.db2.gz OGRBSFNZXSUSKX-IONNQARKSA-N 1 0 319.224 0.892 50 0 DCAARO CC[N@H+]1C[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)[C@@H](C)C1 ZINC000229310367 395874248 /nfs/dbraw/zinc/87/42/48/395874248.db2.gz QHLODQSUAKNYLR-GWCFXTLKSA-N 1 0 311.407 0.404 50 0 DCAARO CC[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000229310359 395874328 /nfs/dbraw/zinc/87/43/28/395874328.db2.gz QHLODQSUAKNYLR-MFKMUULPSA-N 1 0 311.407 0.404 50 0 DCAARO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000229436853 395874937 /nfs/dbraw/zinc/87/49/37/395874937.db2.gz KMYBPKHNDOFTBA-TZMCWYRMSA-N 1 0 319.405 0.550 50 0 DCAARO NC(=O)Cn1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000229830896 395876560 /nfs/dbraw/zinc/87/65/60/395876560.db2.gz YSNUXGSBMGIHDI-RYUDHWBXSA-N 1 0 306.370 0.117 50 0 DCAARO O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000247768821 395978807 /nfs/dbraw/zinc/97/88/07/395978807.db2.gz NAHBSSURSLWONH-UONOGXRCSA-N 1 0 306.366 0.913 50 0 DCAARO O=C(COc1cccnc1)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000252509883 396022550 /nfs/dbraw/zinc/02/25/50/396022550.db2.gz YXKGXKHVFFVRNF-GJZGRUSLSA-N 1 0 305.378 0.830 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2cnc[nH]2)[C@H](C)C1 ZINC000252668721 396023994 /nfs/dbraw/zinc/02/39/94/396023994.db2.gz FKAKSBACPDRJEI-DGCLKSJQSA-N 1 0 300.428 0.948 50 0 DCAARO CCOc1ccc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)COC)C2)cc1 ZINC000253407355 396027117 /nfs/dbraw/zinc/02/71/17/396027117.db2.gz JTRGMOFEWQTMBZ-GOEBONIOSA-N 1 0 322.405 0.641 50 0 DCAARO Cn1nccc1CC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000253421173 396027989 /nfs/dbraw/zinc/02/79/89/396027989.db2.gz REHKBIMIPWWFHA-HNNXBMFYSA-N 1 0 306.410 0.676 50 0 DCAARO Cn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000253413752 396028214 /nfs/dbraw/zinc/02/82/14/396028214.db2.gz VPEYUGIHYCEPHY-LSDHHAIUSA-N 1 0 314.389 0.643 50 0 DCAARO CC[C@@H](CO)[NH+]1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000253430443 396028454 /nfs/dbraw/zinc/02/84/54/396028454.db2.gz FGCHNYNYUUBYSQ-AWEZNQCLSA-N 1 0 305.426 0.970 50 0 DCAARO CC[N@@H+]1CC[C@H]2CN(C(=O)CCO)C[C@@]2(c2nc(C)no2)C1 ZINC000257191939 396034932 /nfs/dbraw/zinc/03/49/32/396034932.db2.gz RVUFLOQRJCFDJS-WFASDCNBSA-N 1 0 308.382 0.182 50 0 DCAARO O=C(N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1CO)C1CC1 ZINC000257189211 396035205 /nfs/dbraw/zinc/03/52/05/396035205.db2.gz HRSMBFKQXMNNMW-JKSUJKDBSA-N 1 0 316.401 0.940 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000249703436 396011548 /nfs/dbraw/zinc/01/15/48/396011548.db2.gz ZXJQMAQVELKZHL-MJBXVCDLSA-N 1 0 314.451 0.896 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC000069706810 396087504 /nfs/dbraw/zinc/08/75/04/396087504.db2.gz KAAKBWSOZZLNGO-ZDUSSCGKSA-N 1 0 320.397 0.159 50 0 DCAARO C[N@@H+]1CC[C@H](C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000069737529 396088862 /nfs/dbraw/zinc/08/88/62/396088862.db2.gz BGQCNEMKLKBLDL-IRXDYDNUSA-N 1 0 317.433 0.816 50 0 DCAARO COC[C@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)CN1CCOCC1 ZINC000165534244 396088948 /nfs/dbraw/zinc/08/89/48/396088948.db2.gz DPIFAGWSMYFDRL-ZWKOTPCHSA-N 1 0 322.449 0.917 50 0 DCAARO COCCN1C(=O)[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2C1=O ZINC000169751579 396091176 /nfs/dbraw/zinc/09/11/76/396091176.db2.gz FPQZBOAZEVPTRF-OKILXGFUSA-N 1 0 306.337 0.889 50 0 DCAARO CCCS(=O)(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000069895846 396093824 /nfs/dbraw/zinc/09/38/24/396093824.db2.gz FURYQHCOYMGQRR-CQSZACIVSA-N 1 0 303.472 0.828 50 0 DCAARO COCCCNC(=O)C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000069902201 396094233 /nfs/dbraw/zinc/09/42/33/396094233.db2.gz QLMKZXOSUJEZNW-CYBMUJFWSA-N 1 0 307.398 0.188 50 0 DCAARO Cc1cnn(C[C@@H]2CCCC[N@@H+]2CCN2C(=O)CNC2=O)c1 ZINC000069976582 396097361 /nfs/dbraw/zinc/09/73/61/396097361.db2.gz HRZFGUKEHWSJIS-ZDUSSCGKSA-N 1 0 305.382 0.598 50 0 DCAARO C[C@H](O)C[NH+]1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000070036375 396098315 /nfs/dbraw/zinc/09/83/15/396098315.db2.gz NZGGYERQOISOST-NHYWBVRUSA-N 1 0 300.349 0.997 50 0 DCAARO CC(C)(C)OC(=O)CCOCCOCCOCCOCC[NH3+] ZINC000071257136 396110946 /nfs/dbraw/zinc/11/09/46/396110946.db2.gz PKESARRNSGIDRD-UHFFFAOYSA-N 1 0 321.414 0.743 50 0 DCAARO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CC(N)=O ZINC000071822577 396116930 /nfs/dbraw/zinc/11/69/30/396116930.db2.gz VYNQDDWHCUUPPU-HIFRSBDPSA-N 1 0 318.421 0.183 50 0 DCAARO COc1ccnc(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)n1 ZINC000071837371 396117914 /nfs/dbraw/zinc/11/79/14/396117914.db2.gz PPOYWVWJAFNFHL-UHFFFAOYSA-N 1 0 307.398 0.474 50 0 DCAARO CCOc1nnc(CNCC2CC[NH+](CCO)CC2)s1 ZINC000071870955 396120419 /nfs/dbraw/zinc/12/04/19/396120419.db2.gz CNSWJGXGLYTSGI-UHFFFAOYSA-N 1 0 300.428 0.731 50 0 DCAARO CCn1ccnc1C[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000072300543 396130588 /nfs/dbraw/zinc/13/05/88/396130588.db2.gz WYTLUMXEHPGCAE-RYUDHWBXSA-N 1 0 300.428 0.663 50 0 DCAARO CC[C@H]([NH2+][C@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C)C(N)=O ZINC000072300502 396130857 /nfs/dbraw/zinc/13/08/57/396130857.db2.gz UUMUJHAJBSECHI-SRVKXCTJSA-N 1 0 305.444 0.289 50 0 DCAARO OCCn1nccc1C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000173606506 396135747 /nfs/dbraw/zinc/13/57/47/396135747.db2.gz YORVIPSLJPZZDM-UHFFFAOYSA-N 1 0 322.453 0.777 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)N2CCO[C@H](C)C2)n1 ZINC000069491511 396080521 /nfs/dbraw/zinc/08/05/21/396080521.db2.gz DPNTWEFHROFVDW-DOMZBBRYSA-N 1 0 321.425 0.607 50 0 DCAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000069590206 396083727 /nfs/dbraw/zinc/08/37/27/396083727.db2.gz IWYZIOQIMMQZEW-HNNXBMFYSA-N 1 0 308.426 0.445 50 0 DCAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000075606042 396182629 /nfs/dbraw/zinc/18/26/29/396182629.db2.gz YZCPHROAXRJJSM-CHWSQXEVSA-N 1 0 322.409 0.404 50 0 DCAARO Cc1ccc(N2CCCN(C(=O)C[N@@H+](C)C3CC3)CC2)nn1 ZINC000075603324 396182743 /nfs/dbraw/zinc/18/27/43/396182743.db2.gz NSCWZEZFJIMZDT-UHFFFAOYSA-N 1 0 303.410 0.918 50 0 DCAARO Cc1nc(CN(C)[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)no1 ZINC000078890929 396256388 /nfs/dbraw/zinc/25/63/88/396256388.db2.gz IUTHTIFJCUFOGN-AWEZNQCLSA-N 1 0 317.393 0.783 50 0 DCAARO O[C@]1(C[NH+]2CCCC2)COCCN(c2ncnc3nc[nH]c32)C1 ZINC000077303130 396218597 /nfs/dbraw/zinc/21/85/97/396218597.db2.gz XOKQNUYWAMHPDH-HNNXBMFYSA-N 1 0 318.381 0.016 50 0 DCAARO Cn1nc(-c2ccccc2)cc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000077436716 396222502 /nfs/dbraw/zinc/22/25/02/396222502.db2.gz IKUBYOZKPCDXSL-IUODEOHRSA-N 1 0 300.362 0.540 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2C)CC1 ZINC000084124222 396318429 /nfs/dbraw/zinc/31/84/29/396318429.db2.gz JPUCDDWRABFHSB-MLGOLLRUSA-N 1 0 306.410 0.967 50 0 DCAARO Cc1cc(C(=O)N2CCC(=O)N(CC[NH+](C)C)CC2)nc(C)n1 ZINC000584884604 396632390 /nfs/dbraw/zinc/63/23/90/396632390.db2.gz KARVDSAVJJPQTR-UHFFFAOYSA-N 1 0 319.409 0.330 50 0 DCAARO CCS(=O)(=O)NC[C@@H](C)[NH2+]CCn1nc(C)c(C)c1C ZINC000584887633 396633405 /nfs/dbraw/zinc/63/34/05/396633405.db2.gz YCVWVAPUVBAUGC-SNVBAGLBSA-N 1 0 302.444 0.726 50 0 DCAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CCC(CC(N)=O)CC2)C1 ZINC000584899111 396636589 /nfs/dbraw/zinc/63/65/89/396636589.db2.gz NNCQFMWLJPIHSY-CQSZACIVSA-N 1 0 311.426 0.600 50 0 DCAARO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)CC1 ZINC000584902089 396636835 /nfs/dbraw/zinc/63/68/35/396636835.db2.gz SEFXHDWBHKZNNZ-CQSZACIVSA-N 1 0 318.425 0.793 50 0 DCAARO COC(=O)c1ccc(N2C(=O)CN(C3CC[NH2+]CC3)C2=O)cc1 ZINC000618255075 396942426 /nfs/dbraw/zinc/94/24/26/396942426.db2.gz JTEVIQSOJUMVDJ-UHFFFAOYSA-N 1 0 317.345 0.994 50 0 DCAARO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000408093314 397346489 /nfs/dbraw/zinc/34/64/89/397346489.db2.gz OBYSCACUJXYZJM-ATGSNQNLSA-N 1 0 311.426 0.469 50 0 DCAARO COc1cccc(COC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000006936261 415137803 /nfs/dbraw/zinc/13/78/03/415137803.db2.gz UFBGSYVEMPFLMM-HNNXBMFYSA-N 1 0 322.405 0.770 50 0 DCAARO CC[C@H](C(=O)NCC[NH+](C)C)N1c2cc(C)nn2CCC1=O ZINC000015728681 415148070 /nfs/dbraw/zinc/14/80/70/415148070.db2.gz PMFVGKOKSMXKCL-GFCCVEGCSA-N 1 0 307.398 0.385 50 0 DCAARO COCCn1nc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)ccc1=O ZINC000044940195 415234683 /nfs/dbraw/zinc/23/46/83/415234683.db2.gz KTKFDYDBAMNOMY-CYBMUJFWSA-N 1 0 322.409 0.494 50 0 DCAARO CC(C)N1C[C@@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000047429169 415270457 /nfs/dbraw/zinc/27/04/57/415270457.db2.gz GLIUOZPQVVKBCB-AWEZNQCLSA-N 1 0 316.405 0.987 50 0 DCAARO C[NH2+]CCc1noc(C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000066323479 415354474 /nfs/dbraw/zinc/35/44/74/415354474.db2.gz CHOUSRKHZQVEJB-UHFFFAOYSA-N 1 0 304.306 0.490 50 0 DCAARO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCn2cccn2)cc1 ZINC000049076318 415304111 /nfs/dbraw/zinc/30/41/11/415304111.db2.gz FZTRPRKLKQPESY-AWEZNQCLSA-N 1 0 309.391 0.610 50 0 DCAARO C[N@H+](CCO)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000049633515 415309614 /nfs/dbraw/zinc/30/96/14/415309614.db2.gz QZWJZFLMIOIMTJ-UHFFFAOYSA-N 1 0 312.167 0.881 50 0 DCAARO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000058296612 415341194 /nfs/dbraw/zinc/34/11/94/415341194.db2.gz UECYOFMJUMCZHC-QWRGUYRKSA-N 1 0 312.414 0.443 50 0 DCAARO Cc1nc(C)c(C(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)s1 ZINC000067605624 415379910 /nfs/dbraw/zinc/37/99/10/415379910.db2.gz OPQYTAVWSZIMOW-MNOVXSKESA-N 1 0 310.423 0.826 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnn(C(C)C)c1 ZINC000067695118 415386339 /nfs/dbraw/zinc/38/63/39/415386339.db2.gz IHVYDLFUWAGBMG-KGLIPLIRSA-N 1 0 321.425 0.874 50 0 DCAARO Cn1nnnc1SCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000067689206 415386775 /nfs/dbraw/zinc/38/67/75/415386775.db2.gz WUFRBWLINYTGPS-GFCCVEGCSA-N 1 0 318.406 0.133 50 0 DCAARO CCCn1nccc1C(=O)N1CCC2(CC1)C(=O)NCCN2C ZINC000067879433 415388924 /nfs/dbraw/zinc/38/89/24/415388924.db2.gz HVZQIYKPYGRXSN-UHFFFAOYSA-N 1 0 319.409 0.330 50 0 DCAARO CCNc1ncc(C(=O)NCCCN2CC[NH+](C)CC2)cn1 ZINC000095365781 415554069 /nfs/dbraw/zinc/55/40/69/415554069.db2.gz NPMSDLCTKCMYTD-UHFFFAOYSA-N 1 0 306.414 0.276 50 0 DCAARO C[C@H](NC(=O)N(C)C[C@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000095411296 415560053 /nfs/dbraw/zinc/56/00/53/415560053.db2.gz GNSADXZPTLDPDQ-KBPBESRZSA-N 1 0 314.474 0.671 50 0 DCAARO CC(=O)N1CCC(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000095949712 415562651 /nfs/dbraw/zinc/56/26/51/415562651.db2.gz GGAAREXFPGDILJ-INIZCTEOSA-N 1 0 301.390 0.828 50 0 DCAARO CSc1ncc(C(=O)NCC[N@@H+]2CCC[C@H](CO)C2)cn1 ZINC000299755404 416063702 /nfs/dbraw/zinc/06/37/02/416063702.db2.gz BTYIEENNBOXJOA-NSHDSACASA-N 1 0 310.423 0.633 50 0 DCAARO COc1cc(=O)n2c(c1C(=O)N1CCSCC1)CC[NH2+]CC2 ZINC000299770304 416065709 /nfs/dbraw/zinc/06/57/09/416065709.db2.gz PKYABBQZMJURPC-UHFFFAOYSA-N 1 0 323.418 0.192 50 0 DCAARO CCn1c(C)ccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c1=O ZINC000299776908 416067899 /nfs/dbraw/zinc/06/78/99/416067899.db2.gz IBRBBVIBBFMPLO-GJZGRUSLSA-N 1 0 319.405 0.770 50 0 DCAARO C[NH+](C)C[C@@H]1COCCN(C(=O)CNC(=O)c2ccccc2)C1 ZINC000299778929 416068061 /nfs/dbraw/zinc/06/80/61/416068061.db2.gz RQJNHYXIRDNTKG-AWEZNQCLSA-N 1 0 319.405 0.453 50 0 DCAARO C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1cscn1 ZINC000299799293 416071250 /nfs/dbraw/zinc/07/12/50/416071250.db2.gz QNBTYWTVZPKTOK-LLVKDONJSA-N 1 0 310.423 0.816 50 0 DCAARO Cc1cc(N2CCN(C(=O)CNC(=O)N(C)C)CC2)cc(C)[nH+]1 ZINC000215641620 416327307 /nfs/dbraw/zinc/32/73/07/416327307.db2.gz FTRTXPMXAXSJFL-UHFFFAOYSA-N 1 0 319.409 0.618 50 0 DCAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000237472525 416328377 /nfs/dbraw/zinc/32/83/77/416328377.db2.gz RNCIGAGBPHZCAB-XQQFMLRXSA-N 1 0 317.455 0.386 50 0 DCAARO O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238008452 416329504 /nfs/dbraw/zinc/32/95/04/416329504.db2.gz YRDFLRLMRMKANH-DGCLKSJQSA-N 1 0 304.325 0.350 50 0 DCAARO Nc1ncc(Cl)cc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000238056823 416329806 /nfs/dbraw/zinc/32/98/06/416329806.db2.gz KOPUFMAOQVGAOZ-SECBINFHSA-N 1 0 304.803 0.738 50 0 DCAARO CN(CCCc1nccn1C)C(=O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000244633469 416330260 /nfs/dbraw/zinc/33/02/60/416330260.db2.gz GDPFVCSQAXGGFO-AWEZNQCLSA-N 1 0 307.442 0.447 50 0 DCAARO Cc1noc(C)c1CCCNC(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000244707875 416330643 /nfs/dbraw/zinc/33/06/43/416330643.db2.gz KJDRMMMRDBMDGK-AWEZNQCLSA-N 1 0 308.426 0.976 50 0 DCAARO Cc1nc(CCN(C)C(=O)CC[C@H](C)[NH+]2CCOCC2)no1 ZINC000244691009 416330649 /nfs/dbraw/zinc/33/06/49/416330649.db2.gz JAYXFITZFXQWCG-LBPRGKRZSA-N 1 0 310.398 0.880 50 0 DCAARO Cc1nc(CN2CCN(C(=O)[C@@]3(O)CCC[NH2+]C3)CC2)oc1C ZINC000662718273 417869319 /nfs/dbraw/zinc/86/93/19/417869319.db2.gz WUVIVTOVZOXLDM-MRXNPFEDSA-N 1 0 322.409 0.050 50 0 DCAARO Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000299738501 229369440 /nfs/dbraw/zinc/36/94/40/229369440.db2.gz BOSSQFFLCCQQOR-CYBMUJFWSA-N 1 0 310.419 0.966 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N(C)C2CCC([NH3+])CC2)[C@H](C)CO1 ZINC000299739131 229372659 /nfs/dbraw/zinc/37/26/59/229372659.db2.gz KWKZDPWIWPGWPK-OKZRHMCRSA-N 1 0 305.444 0.542 50 0 DCAARO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000333370958 276106717 /nfs/dbraw/zinc/10/67/17/276106717.db2.gz MJQYKLKNKYTUDY-HIFRSBDPSA-N 1 0 322.453 0.187 50 0 DCAARO CNC(=O)NC(=O)CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000095986387 277236155 /nfs/dbraw/zinc/23/61/55/277236155.db2.gz MGACQBNOYCHATH-CQSZACIVSA-N 1 0 304.394 0.869 50 0 DCAARO C[NH2+]C[C@H]1CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000237253474 277284762 /nfs/dbraw/zinc/28/47/62/277284762.db2.gz KKKCEIICDWEAMT-SECBINFHSA-N 1 0 314.183 0.961 50 0 DCAARO CC(C)[C@H]1CN(C(=O)CC2CCS(=O)(=O)CC2)C[C@@H]1[NH3+] ZINC000091643280 277952650 /nfs/dbraw/zinc/95/26/50/277952650.db2.gz AYRLMESCPMRWCX-OLZOCXBDSA-N 1 0 302.440 0.643 50 0 DCAARO Cc1sc(C(=O)N2CCC[C@H]2C[NH3+])cc1S(N)(=O)=O ZINC000299739992 279282222 /nfs/dbraw/zinc/28/22/22/279282222.db2.gz UNLVZPLZBVDSNL-QMMMGPOBSA-N 1 0 303.409 0.267 50 0 DCAARO Cc1ccc2ncn(CC[N@@H+]3CCC[C@@H](C(N)=O)C3)c(=O)c2c1 ZINC000043058604 281171327 /nfs/dbraw/zinc/17/13/27/281171327.db2.gz XZGLPAKXCGDMJX-CYBMUJFWSA-N 1 0 314.389 0.902 50 0 DCAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)CN1CCCNC1=O ZINC000095949369 289147281 /nfs/dbraw/zinc/14/72/81/289147281.db2.gz BPDQSYKKWHGEEQ-UHFFFAOYSA-N 1 0 318.421 0.992 50 0 DCAARO COc1cccc(C(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)c1OC ZINC000219479232 295287489 /nfs/dbraw/zinc/28/74/89/295287489.db2.gz MLTFLXPKQYQSRB-NEPJUHHUSA-N 1 0 308.378 0.841 50 0 DCAARO Cn1ccnc1[C@@](O)(CCNC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000153173442 303002480 /nfs/dbraw/zinc/00/24/80/303002480.db2.gz PZSMRNWUUOOJHN-SKDRFNHKSA-N 1 0 320.315 0.428 50 0 DCAARO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000089448679 332069455 /nfs/dbraw/zinc/06/94/55/332069455.db2.gz IAGPBKMILRBODC-CYBMUJFWSA-N 1 0 322.453 0.282 50 0 DCAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000534582575 334289917 /nfs/dbraw/zinc/28/99/17/334289917.db2.gz DCCQQZHELLPLFO-RYUDHWBXSA-N 1 0 302.334 0.394 50 0 DCAARO O=C(CCN1CCCCCC1=O)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534643809 334306166 /nfs/dbraw/zinc/30/61/66/334306166.db2.gz BYYZTIHPJAAQSW-NMWPEEMBSA-N 1 0 305.422 0.988 50 0 DCAARO Cc1cc(=O)[nH]c(CCNC(=O)c2ccc(CC[NH3+])cc2)n1 ZINC000534640795 334311046 /nfs/dbraw/zinc/31/10/46/334311046.db2.gz NXZWRUXXPNCPKJ-UHFFFAOYSA-N 1 0 300.362 0.964 50 0 DCAARO NC(=O)COc1ccc(/C=C/C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000237961011 527211943 /nfs/dbraw/zinc/21/19/43/527211943.db2.gz WTUOCBGWXBZZAU-LJLILKBBSA-N 1 0 303.362 0.514 50 0 DCAARO CCOc1ccc(S(=O)(=O)NC2C[NH2+]C2)cc1OCC ZINC000090289248 528580287 /nfs/dbraw/zinc/58/02/87/528580287.db2.gz KELDGTGBANZBLS-UHFFFAOYSA-N 1 0 300.380 0.734 50 0 DCAARO C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)C[C@@H]1[NH+](C)C ZINC000084714306 545702659 /nfs/dbraw/zinc/70/26/59/545702659.db2.gz VTLAMOWSTUQUCA-OLZOCXBDSA-N 1 0 321.425 0.180 50 0 DCAARO CN1CCC2(CC[NH+](CCS(C)(=O)=O)CC2)CCC1=O ZINC000670456107 547098024 /nfs/dbraw/zinc/09/80/24/547098024.db2.gz LAVFKZVPDAZPGL-UHFFFAOYSA-N 1 0 302.440 0.756 50 0 DCAARO O=C(C1CC1)N1CCC([NH2+]CCN2CCC[C@H](CO)C2)CC1 ZINC000670459246 547098127 /nfs/dbraw/zinc/09/81/27/547098127.db2.gz XVNFVLAWHCPNID-AWEZNQCLSA-N 1 0 309.454 0.681 50 0 DCAARO COCC1CCN(S(=O)(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000670473729 547102758 /nfs/dbraw/zinc/10/27/58/547102758.db2.gz MTVVKVOHOBVIML-UHFFFAOYSA-N 1 0 319.471 0.617 50 0 DCAARO CC(C)[C@](C)(C[NH3+])NS(=O)(=O)c1cc(Cl)cnc1N ZINC000685942291 548747628 /nfs/dbraw/zinc/74/76/28/548747628.db2.gz JTZSJGNPANXOEO-NSHDSACASA-N 1 0 306.819 0.969 50 0 DCAARO CCOC(=O)CCS(=O)(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000685944894 548748694 /nfs/dbraw/zinc/74/86/94/548748694.db2.gz GVPIDXFKMVQZML-NEPJUHHUSA-N 1 0 318.439 0.732 50 0 DCAARO Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000585086252 662948178 /nfs/dbraw/zinc/94/81/78/662948178.db2.gz WVRVEVBGLJGZCT-ZYHUDNBSSA-N 1 0 300.428 0.750 50 0 DCAARO O=C1CCCN1C[C@@H]1CCCN(c2ncnc3c2CC[NH2+]C3)C1 ZINC000067871870 665342661 /nfs/dbraw/zinc/34/26/61/665342661.db2.gz YPLHFSQMMKOJDR-ZDUSSCGKSA-N 1 0 315.421 0.961 50 0 DCAARO CCc1nc(N2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)ncc1C ZINC000071405865 666061527 /nfs/dbraw/zinc/06/15/27/666061527.db2.gz XHQXFNBWNQVGQX-HZPDHXFCSA-N 1 0 320.437 0.744 50 0 DCAARO COc1cccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1O ZINC000863947757 667196914 /nfs/dbraw/zinc/19/69/14/667196914.db2.gz DZSUJIGRKFYXPM-YPMHNXCESA-N 1 0 307.394 0.765 50 0 DCAARO Cn1cc(-c2ccnc(NCC[N@@H+]3CCC[C@H](CO)C3)n2)cn1 ZINC000063844453 685062676 /nfs/dbraw/zinc/06/26/76/685062676.db2.gz MMVCITYNAHBBPD-ZDUSSCGKSA-N 1 0 316.409 0.993 50 0 DCAARO Cc1nn(C)c2ncnc(N3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)c12 ZINC000072475985 685075186 /nfs/dbraw/zinc/07/51/86/685075186.db2.gz MXSCYZYWRIIEJR-STQMWFEESA-N 1 0 316.409 0.707 50 0 DCAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(CCn2cnnc2)CC1 ZINC001772707827 1157845225 /nfs/dbraw/zinc/84/52/25/1157845225.db2.gz ZQIZSDKTABTZAO-HNNXBMFYSA-N 1 0 320.441 0.297 50 0 DCAARO O=C(CCCCc1cccnc1)N1C[C@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772709407 1157847635 /nfs/dbraw/zinc/84/76/35/1157847635.db2.gz POUSMWOGMVGURQ-NVXWUHKLSA-N 1 0 303.406 0.835 50 0 DCAARO CN1C[C@H]2COC[C@@H]1C[N@H+](Cc1cccc(OCCO)c1)C2 ZINC001704312954 1179969733 /nfs/dbraw/zinc/96/97/33/1179969733.db2.gz JHWUQNNFJGQMEO-CVEARBPZSA-N 1 0 306.406 0.820 50 0 DCAARO COc1cc(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)ccc1O ZINC001704325907 1179973227 /nfs/dbraw/zinc/97/32/27/1179973227.db2.gz NRJKJYGBILYWLP-AAEUAGOBSA-N 1 0 306.362 0.803 50 0 DCAARO C[C@H](C[NH+]1CCCCC1)c1nc(CC(N)=O)nn1CC(C)(C)O ZINC000822276773 758189329 /nfs/dbraw/zinc/18/93/29/758189329.db2.gz GTGYELCBPJUPMK-GFCCVEGCSA-N 1 0 323.441 0.666 50 0 DCAARO CC[C@@H]1CCCCN1Cc1nc(CC(N)=O)nn1CC(C)(C)O ZINC000822718138 758204113 /nfs/dbraw/zinc/20/41/13/758204113.db2.gz SJFQKUVBXHDOLB-GFCCVEGCSA-N 1 0 323.441 0.841 50 0 DCAARO CCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)N2CCN(C)CC2)C1 ZINC000822922717 758213872 /nfs/dbraw/zinc/21/38/72/758213872.db2.gz LVPCGJLTVYYVMT-AWEZNQCLSA-N 1 0 318.487 0.190 50 0 DCAARO CCc1nc(S(=O)(=O)N2CCOC[C@@H](C[NH+](C)C)C2)c[nH]1 ZINC000823484476 758250038 /nfs/dbraw/zinc/25/00/38/758250038.db2.gz GUVFXZWQELJMDZ-NSHDSACASA-N 1 0 316.427 0.171 50 0 DCAARO CCn1cc(S(=O)(=O)NCCNc2cc[nH+]cc2C)c(C)n1 ZINC000823592163 758253080 /nfs/dbraw/zinc/25/30/80/758253080.db2.gz AARWFVLLBQEEOC-UHFFFAOYSA-N 1 0 323.422 0.727 50 0 DCAARO C[NH+](C)C[C@@H]1COCCN(C(=O)C2(Cn3ccnc3)CC2)C1 ZINC000823690060 758261549 /nfs/dbraw/zinc/26/15/49/758261549.db2.gz KMZPQKRTJQSUIS-AWEZNQCLSA-N 1 0 306.410 0.700 50 0 DCAARO C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(C(N)=O)cc3)C[C@H]2C1 ZINC000823806673 758269116 /nfs/dbraw/zinc/26/91/16/758269116.db2.gz CSOZZSWBCOCDHQ-OKILXGFUSA-N 1 0 302.378 0.489 50 0 DCAARO COC[C@H]1CCCN1S(=O)(=O)NC1CC[NH+](C(C)C)CC1 ZINC000824371008 758770149 /nfs/dbraw/zinc/77/01/49/758770149.db2.gz KFJRGHMSKUCMRW-CQSZACIVSA-N 1 0 319.471 0.804 50 0 DCAARO CC[N@@H+]1CCCN(S(=O)(=O)N2CCC(COC)CC2)CC1 ZINC000824372255 758771918 /nfs/dbraw/zinc/77/19/18/758771918.db2.gz QSWRTFKHUQAJIY-UHFFFAOYSA-N 1 0 319.471 0.617 50 0 DCAARO CC[N@@H+]1CC[C@@H](CNS(=O)(=O)N2CCC(COC)CC2)C1 ZINC000824372270 758772016 /nfs/dbraw/zinc/77/20/16/758772016.db2.gz SSJUFARPLRBQBJ-AWEZNQCLSA-N 1 0 319.471 0.521 50 0 DCAARO Cn1cncc1C(=O)NCC1CCN(c2ccnc(N)n2)CC1 ZINC000827591841 758869609 /nfs/dbraw/zinc/86/96/09/758869609.db2.gz AQZWWWGEGQIZSB-UHFFFAOYSA-N 1 0 315.381 0.439 50 0 DCAARO O=S(=O)(N1CCCC1)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000828388633 759001629 /nfs/dbraw/zinc/00/16/29/759001629.db2.gz QUIOCQLFOKOXJH-CQSZACIVSA-N 1 0 317.455 0.371 50 0 DCAARO O=C(c1ccccn1)N1CCC2(C[C@@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000581811593 760253675 /nfs/dbraw/zinc/25/36/75/760253675.db2.gz SRBDXOCLYLGBRV-CQSZACIVSA-N 1 0 314.389 0.508 50 0 DCAARO CN1CCN([C@H]2COC[C@@H]2[NH2+]C2CSCCSC2)CC1 ZINC001506396816 941804350 /nfs/dbraw/zinc/80/43/50/941804350.db2.gz OFIAUOWXJJEZCL-KBPBESRZSA-N 1 0 317.524 0.439 50 0 DCAARO COCCN1C[C@@H](CNc2cc(N)[nH+]c(SC)n2)CC1=O ZINC001506426448 1017269322 /nfs/dbraw/zinc/26/93/22/1017269322.db2.gz HCGZDCSVRPDUBX-SECBINFHSA-N 1 0 311.411 0.688 50 0 DCAARO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000074659041 185006422 /nfs/dbraw/zinc/00/64/22/185006422.db2.gz DWMCVOVIDGSMER-CABCVRRESA-N 1 0 312.458 0.690 50 0 DCAARO Cc1nc2n(c1C(=O)N(C)C)CCN(C(=O)[C@@]1(C)CCC[NH2+]1)C2 ZINC000097288817 282094397 /nfs/dbraw/zinc/09/43/97/282094397.db2.gz BYHXVTNDYJJYDR-MRXNPFEDSA-N 1 0 319.409 0.378 50 0 DCAARO C[NH+](C)CCN1C[C@H](C(=O)N2CC(c3ccccn3)C2)CC1=O ZINC000095526370 185378000 /nfs/dbraw/zinc/37/80/00/185378000.db2.gz QHKHGTXCJMBRRC-CYBMUJFWSA-N 1 0 316.405 0.418 50 0 DCAARO Cc1nc(CCNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)cc(=O)[nH]1 ZINC000095525125 185378028 /nfs/dbraw/zinc/37/80/28/185378028.db2.gz OFGNQNWOYAUWAX-ZDUSSCGKSA-N 1 0 306.410 0.857 50 0 DCAARO C[C@H](Cc1nc2c([nH]1)C(=O)NCC(C)(C)C2)N1CC[NH+](C)CC1 ZINC000095528501 185378570 /nfs/dbraw/zinc/37/85/70/185378570.db2.gz AUFMWXMYGQYITA-GFCCVEGCSA-N 1 0 319.453 0.900 50 0 DCAARO O=C(NC[C@H]1CCOC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000328590052 231233996 /nfs/dbraw/zinc/23/39/96/231233996.db2.gz OCEAWUUCKCYZGG-CYBMUJFWSA-N 1 0 309.410 0.226 50 0 DCAARO Cc1cc(C)n(CCCC(=O)NCc2cc3n(n2)CC[NH2+]C3)n1 ZINC000082125234 192359364 /nfs/dbraw/zinc/35/93/64/192359364.db2.gz JAQIQZLDWQGCKA-UHFFFAOYSA-N 1 0 316.409 0.896 50 0 DCAARO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(N)=O)cc(OC)c1 ZINC000095466748 185371853 /nfs/dbraw/zinc/37/18/53/185371853.db2.gz PSVVVDJSFHMLGV-GFCCVEGCSA-N 1 0 321.377 0.982 50 0 DCAARO O=C(NC[C@]1(O)CC[NH2+]C1)c1cccc(Cn2cccn2)c1 ZINC000072135576 191047211 /nfs/dbraw/zinc/04/72/11/191047211.db2.gz CFOXLNABRANULU-INIZCTEOSA-N 1 0 300.362 0.386 50 0 DCAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCn2cc(Cl)cn2)C1 ZINC000072139103 191047529 /nfs/dbraw/zinc/04/75/29/191047529.db2.gz ZDKBNUHVUSAQBG-CQSZACIVSA-N 1 0 314.817 0.842 50 0 DCAARO O=C(NCCc1csc(-c2ccncc2)n1)[C@@H]1C[NH2+]CCO1 ZINC000072128399 191043706 /nfs/dbraw/zinc/04/37/06/191043706.db2.gz HHURMMWLANMICP-ZDUSSCGKSA-N 1 0 318.402 0.852 50 0 DCAARO CN1CC[NH+]([C@H]2CN(c3ccc4cc[nH]c4n3)C[C@@H]2O)CC1 ZINC000072136985 191046251 /nfs/dbraw/zinc/04/62/51/191046251.db2.gz XACUNHPCXMYXRQ-KBPBESRZSA-N 1 0 301.394 0.360 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)NCc1csc(N2CCCC2)n1 ZINC000072134761 191046326 /nfs/dbraw/zinc/04/63/26/191046326.db2.gz CTDKRKRSMFZGAZ-NSHDSACASA-N 1 0 310.423 0.738 50 0 DCAARO OCC(CO)[N@@H+]1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072133832 191046795 /nfs/dbraw/zinc/04/67/95/191046795.db2.gz RWLBJDNMRCSZFQ-RCCFBDPRSA-N 1 0 318.417 0.607 50 0 DCAARO NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]([NH3+])CC2)c1 ZINC000072147199 191052276 /nfs/dbraw/zinc/05/22/76/191052276.db2.gz SUGDKVBCVXVAOT-VIFPVBQESA-N 1 0 315.370 0.427 50 0 DCAARO Cc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)[nH]n1 ZINC000072154991 191058549 /nfs/dbraw/zinc/05/85/49/191058549.db2.gz BGHVHNHPEORKQM-AWEZNQCLSA-N 1 0 319.409 0.467 50 0 DCAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC000237498180 186298080 /nfs/dbraw/zinc/29/80/80/186298080.db2.gz FIRCOJKIVWVVDA-NWDGAFQWSA-N 1 0 300.366 0.862 50 0 DCAARO O[C@@H](Cn1ccnc1-c1cc2n(n1)CC[NH2+]C2)c1ccccn1 ZINC000072433646 191164906 /nfs/dbraw/zinc/16/49/06/191164906.db2.gz ACQCBXNAOPBSLN-HNNXBMFYSA-N 1 0 310.361 0.978 50 0 DCAARO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000072632817 191206241 /nfs/dbraw/zinc/20/62/41/191206241.db2.gz CYWTXWYVHJXHPU-AWEZNQCLSA-N 1 0 310.419 0.917 50 0 DCAARO CC[C@H](CO)[NH+]1CCN(Cc2ccc(C(=O)NC)cc2)CC1 ZINC000075962488 191542356 /nfs/dbraw/zinc/54/23/56/191542356.db2.gz YMBBGXBTJAXDES-MRXNPFEDSA-N 1 0 305.422 0.935 50 0 DCAARO Cn1c(=O)cc(OCC(=O)NCC[NH+](C)C)c2ccccc21 ZINC000005066340 181199622 /nfs/dbraw/zinc/19/96/22/181199622.db2.gz DGVONVCHVOZYLN-UHFFFAOYSA-N 1 0 303.362 0.595 50 0 DCAARO O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1nc2ccc(Cl)cn2c1F ZINC000077521759 191730959 /nfs/dbraw/zinc/73/09/59/191730959.db2.gz HGXZWAUGARPEEC-RKDXNWHRSA-N 1 0 312.732 0.579 50 0 DCAARO COC(=O)c1ccc(S(=O)(=O)NC2C[NH2+]C2)cc1Cl ZINC000237252167 202207123 /nfs/dbraw/zinc/20/71/23/202207123.db2.gz SRSWMLSXKPRHCX-UHFFFAOYSA-N 1 0 304.755 0.377 50 0 DCAARO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262638987 283332794 /nfs/dbraw/zinc/33/27/94/283332794.db2.gz YMMWTUOWGRKBIQ-CFVMTHIKSA-N 1 0 301.390 0.943 50 0 DCAARO Cc1nc([C@H](NC(=O)[C@H]2C[NH2+]CCO2)c2ccccc2F)no1 ZINC000187786579 200156642 /nfs/dbraw/zinc/15/66/42/200156642.db2.gz IMGZKCQOFCQRTR-CHWSQXEVSA-N 1 0 320.324 0.711 50 0 DCAARO NC(=O)c1cc(C(=O)N2CCC[NH2+]CC2)nn1-c1ccccc1 ZINC000237717657 202336169 /nfs/dbraw/zinc/33/61/69/202336169.db2.gz DECJRENWISNGEV-UHFFFAOYSA-N 1 0 313.361 0.407 50 0 DCAARO Cc1nc([C@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccccc2F)no1 ZINC000237782739 202353626 /nfs/dbraw/zinc/35/36/26/202353626.db2.gz IMGZKCQOFCQRTR-QWHCGFSZSA-N 1 0 320.324 0.711 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)c2cnc3cc(C)ccn3c2=O)C1 ZINC000133001824 283658683 /nfs/dbraw/zinc/65/86/83/283658683.db2.gz JPDZKMKYZUNJGS-GFCCVEGCSA-N 1 0 300.362 0.827 50 0 DCAARO Cc1noc(C)c1CCCNC(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000244707876 202490329 /nfs/dbraw/zinc/49/03/29/202490329.db2.gz KJDRMMMRDBMDGK-CQSZACIVSA-N 1 0 308.426 0.976 50 0 DCAARO Cc1nn(C)cc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420417941 240025566 /nfs/dbraw/zinc/02/55/66/240025566.db2.gz BXZZANDGTJZBCK-UHFFFAOYSA-N 1 0 306.391 0.810 50 0 DCAARO O=S(=O)(Cc1ccccc1Cl)NC[C@@H]1C[NH2+]CCO1 ZINC000420480523 240040344 /nfs/dbraw/zinc/04/03/44/240040344.db2.gz OZNHDQVSZXSYGE-NSHDSACASA-N 1 0 304.799 0.748 50 0 DCAARO CCNC(=O)c1ccc(N2C[C@H](CO)[C@H](C[N@H+](C)CC)C2)nc1 ZINC000091452217 193058355 /nfs/dbraw/zinc/05/83/55/193058355.db2.gz JKYAAXVOVUTKER-HUUCEWRRSA-N 1 0 320.437 0.828 50 0 DCAARO Cc1n[nH]c(C)c1[C@H](N)C(=O)NCCNc1cc(C)cc[nH+]1 ZINC000091587006 193075595 /nfs/dbraw/zinc/07/55/95/193075595.db2.gz YDESZFUGKLLNIY-AWEZNQCLSA-N 1 0 302.382 0.958 50 0 DCAARO Cc1nc(C)c(CNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)s1 ZINC000091595001 193077566 /nfs/dbraw/zinc/07/75/66/193077566.db2.gz OKFIMNDXQIRFIF-NSHDSACASA-N 1 0 310.423 0.573 50 0 DCAARO CNS(=O)(=O)CC[NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000091504314 193065980 /nfs/dbraw/zinc/06/59/80/193065980.db2.gz XXXVTPASTYRTTB-UHFFFAOYSA-N 1 0 313.354 0.306 50 0 DCAARO [NH3+][C@H]1CN(C(=O)COc2ccc3c(c2)OCO3)C[C@@H]1C1CC1 ZINC000091643404 193083517 /nfs/dbraw/zinc/08/35/17/193083517.db2.gz UWUAOBRRUZDEJC-OLZOCXBDSA-N 1 0 304.346 0.990 50 0 DCAARO CCN1CC[C@]2(CN(c3nccc(N)n3)CC[N@@H+]2C)CCC1=O ZINC000091624916 193080559 /nfs/dbraw/zinc/08/05/59/193080559.db2.gz DXRULYRMQNGNRM-INIZCTEOSA-N 1 0 318.425 0.582 50 0 DCAARO Cn1nccc1CCC(=O)N[C@@H]1CCOC[C@H]1OCC[NH+](C)C ZINC000219512005 201558153 /nfs/dbraw/zinc/55/81/53/201558153.db2.gz QPGXMTNALWLDEO-HUUCEWRRSA-N 1 0 324.425 0.205 50 0 DCAARO CC[NH+](CC)CCCNC(=O)c1c(O)nc2sccn2c1=O ZINC000016690021 182058034 /nfs/dbraw/zinc/05/80/34/182058034.db2.gz JDOFVJNYJQKITJ-UHFFFAOYSA-N 1 0 324.406 0.923 50 0 DCAARO COc1ccc(COC[C@H](O)C[NH2+]CCN(C)C)cc1OC ZINC000022876222 182339382 /nfs/dbraw/zinc/33/93/82/182339382.db2.gz YBGFZEAJZAUJKC-CQSZACIVSA-N 1 0 312.410 0.733 50 0 DCAARO O=c1cc(C[NH2+]CCN2CCOCC2)c2ccc(O)cc2o1 ZINC000040161230 183040998 /nfs/dbraw/zinc/04/09/98/183040998.db2.gz GPTBNBSKEDDJNQ-UHFFFAOYSA-N 1 0 304.346 0.920 50 0 DCAARO C[C@H](CNS(=O)(=O)N1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000106072681 194184566 /nfs/dbraw/zinc/18/45/66/194184566.db2.gz XVIYCIQMWXWQAD-QWHCGFSZSA-N 1 0 305.444 0.273 50 0 DCAARO Cn1c(=O)c(C(=O)NCC[NH+]2CCCCC2)nc2cccnc21 ZINC000065282691 184320945 /nfs/dbraw/zinc/32/09/45/184320945.db2.gz USKMXXYRDHNSJB-UHFFFAOYSA-N 1 0 315.377 0.544 50 0 DCAARO Cn1c2ccccc2n(CC(=O)N2CCC([NH+](C)C)CC2)c1=O ZINC000065449042 184346184 /nfs/dbraw/zinc/34/61/84/184346184.db2.gz IJQMUZXGOHVPBX-UHFFFAOYSA-N 1 0 316.405 0.893 50 0 DCAARO CC(C)[N@H+](C)CC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000065604661 184371658 /nfs/dbraw/zinc/37/16/58/184371658.db2.gz FBGPKDYMGZRVIA-UHFFFAOYSA-N 1 0 321.425 0.481 50 0 DCAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCCN(C(=O)c2ccco2)CC1 ZINC000216516649 257273726 /nfs/dbraw/zinc/27/37/26/257273726.db2.gz QTUAWHGLKGCGJI-ZDUSSCGKSA-N 1 0 321.377 0.333 50 0 DCAARO COCc1cc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)[nH]n1 ZINC000222884096 257274313 /nfs/dbraw/zinc/27/43/13/257274313.db2.gz PCDYWYSUENLIFH-UHFFFAOYSA-N 1 0 303.370 0.745 50 0 DCAARO Cc1oc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1S(N)(=O)=O ZINC000237713427 257238906 /nfs/dbraw/zinc/23/89/06/257238906.db2.gz HUOSDJBTZYAZHO-WPRPVWTQSA-N 1 0 315.395 0.435 50 0 DCAARO C[NH2+]Cc1nnc(SC[C@@H]2CCCS(=O)(=O)C2)n1C ZINC000426715815 257243560 /nfs/dbraw/zinc/24/35/60/257243560.db2.gz CSTAZZZZEMFZDV-VIFPVBQESA-N 1 0 304.441 0.451 50 0 DCAARO O=C(c1ccccc1)N1CCC([NH2+][C@H]2CNCC[C@H]2O)CC1 ZINC000426690534 257244226 /nfs/dbraw/zinc/24/42/26/257244226.db2.gz GAISMWGDUUJWCZ-JKSUJKDBSA-N 1 0 303.406 0.604 50 0 DCAARO Cc1nnc(CNC(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)o1 ZINC000426549934 257246803 /nfs/dbraw/zinc/24/68/03/257246803.db2.gz MNIJYTGAZZXCGL-CYBMUJFWSA-N 1 0 323.397 0.774 50 0 DCAARO C[N@@H+]1CCCC[C@@H]1CC(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426550710 257246892 /nfs/dbraw/zinc/24/68/92/257246892.db2.gz YYMPZIVGBANGEH-LLVKDONJSA-N 1 0 315.381 0.752 50 0 DCAARO Cc1cccc(N2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)c1C ZINC000299745325 134744652 /nfs/dbraw/zinc/74/46/52/134744652.db2.gz XZUCNUXHBFNHHR-GJZGRUSLSA-N 1 0 303.406 0.675 50 0 DCAARO O=C(C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1)N1CCCO1 ZINC000011841350 395686842 /nfs/dbraw/zinc/68/68/42/395686842.db2.gz VXXDYTQTAQOPFR-AWEZNQCLSA-N 1 0 309.410 0.921 50 0 DCAARO O=C(CC[N@H+]1CCC[C@@H](O)C1)NC(=O)NCc1ccccc1 ZINC000029926180 395700903 /nfs/dbraw/zinc/70/09/03/395700903.db2.gz PFZLCECLXXPONT-CQSZACIVSA-N 1 0 305.378 0.859 50 0 DCAARO Cn1c(C[N@H+](C)CCCOc2ccccc2)cc(=O)n(C)c1=O ZINC000032913825 395714354 /nfs/dbraw/zinc/71/43/54/395714354.db2.gz NXXJGEBMKZSFFA-UHFFFAOYSA-N 1 0 317.389 0.985 50 0 DCAARO O[C@H](C[NH2+]C[C@H]1CCCN1c1cccnn1)Cn1cccn1 ZINC000106908689 395784647 /nfs/dbraw/zinc/78/46/47/395784647.db2.gz JUNUMULWZGFFBE-ZIAGYGMSSA-N 1 0 302.382 0.293 50 0 DCAARO O=C(N[C@H]1C[NH+]2CCC1CC2)c1coc(CN2CCOCC2)c1 ZINC000097522096 395758802 /nfs/dbraw/zinc/75/88/02/395758802.db2.gz HXBBPSDEOZSMNX-INIZCTEOSA-N 1 0 319.405 0.936 50 0 DCAARO Cc1nc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)s1 ZINC000097759237 395760455 /nfs/dbraw/zinc/76/04/55/395760455.db2.gz YRUDOONXBZCYPZ-NSHDSACASA-N 1 0 310.423 0.687 50 0 DCAARO O=C([O-])[C@@]12C[NH+](CC3CCC3)C[C@@H]1C[N@@H+](CCn1cnnc1)C2 ZINC000097797284 395760953 /nfs/dbraw/zinc/76/09/53/395760953.db2.gz GKDIMIGIBCLOLF-HOCLYGCPSA-N 1 0 319.409 0.397 50 0 DCAARO O=C(NCCNC(=O)[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000097775887 395761029 /nfs/dbraw/zinc/76/10/29/395761029.db2.gz TYZCXLZZNGYQRY-GFCCVEGCSA-N 1 0 311.769 0.174 50 0 DCAARO Cc1nn(C)c(C)c1CNc1c(=O)c(=O)c1NCC[NH+](C)C ZINC000101697701 395766588 /nfs/dbraw/zinc/76/65/88/395766588.db2.gz RHIRUXBGKXZBAO-UHFFFAOYSA-N 1 0 305.382 0.219 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)Cn2ccnc2)C1 ZINC000048364940 395814033 /nfs/dbraw/zinc/81/40/33/395814033.db2.gz QYKLIZKZMGNNHW-GJZGRUSLSA-N 1 0 323.441 0.928 50 0 DCAARO Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCC[NH+](C)C ZINC000049545025 395832390 /nfs/dbraw/zinc/83/23/90/395832390.db2.gz RNZNQDNLDXGDIV-UHFFFAOYSA-N 1 0 309.414 0.772 50 0 DCAARO C[C@H](CCC(=O)N(C)Cc1cnccn1)[NH+]1CCN(C)CC1 ZINC000220171531 395848083 /nfs/dbraw/zinc/84/80/83/395848083.db2.gz JXFCQRNYZYLWST-CQSZACIVSA-N 1 0 305.426 0.851 50 0 DCAARO [NH3+][C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)CCNC(=O)c1ccccc1F ZINC000220402430 395848794 /nfs/dbraw/zinc/84/87/94/395848794.db2.gz KAOBPMBCHNRTJP-AQNFWKISSA-N 1 0 321.352 0.176 50 0 DCAARO C[NH+](C)C1(CNC(=O)N[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000047594082 395796172 /nfs/dbraw/zinc/79/61/72/395796172.db2.gz STPYURPSUTYWLK-NSHDSACASA-N 1 0 303.428 0.347 50 0 DCAARO Cc1cc[nH+]c(NCCNC(=O)CN2CC[C@@H]([NH+](C)C)C2)c1 ZINC000244874533 395925773 /nfs/dbraw/zinc/92/57/73/395925773.db2.gz XCYGPNLMRCNEBR-CQSZACIVSA-N 1 0 305.426 0.554 50 0 DCAARO CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([NH2+]C)C2)cc1 ZINC000053203031 395878386 /nfs/dbraw/zinc/87/83/86/395878386.db2.gz KRXGYARTVNFZPD-LBPRGKRZSA-N 1 0 311.407 0.419 50 0 DCAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)CN1CCNCC1=O ZINC000151374851 395984588 /nfs/dbraw/zinc/98/45/88/395984588.db2.gz DSSCBJDRGWXNFH-SNVBAGLBSA-N 1 0 311.332 0.916 50 0 DCAARO CN1CCOc2cc(C(=O)N[C@@H]3C[C@@H](CO)[N@H+](C)C3)ccc21 ZINC000065374110 395992803 /nfs/dbraw/zinc/99/28/03/395992803.db2.gz CRCMIIOZOQFAIN-OLZOCXBDSA-N 1 0 305.378 0.310 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNc1cc(N2CCOCC2)nc(N)n1 ZINC000065374528 395993337 /nfs/dbraw/zinc/99/33/37/395993337.db2.gz HLZISVUIKOZJQZ-GFCCVEGCSA-N 1 0 306.414 0.792 50 0 DCAARO CC[N@@H+]1CC[C@H]2[C@H](C1)OCCN2C(=O)CCOCC(F)F ZINC000252510192 396022305 /nfs/dbraw/zinc/02/23/05/396022305.db2.gz ZDIYFXSVQWQYBN-RYUDHWBXSA-N 1 0 306.353 0.980 50 0 DCAARO C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)N1CCOC[C@H]1C ZINC000252585285 396022961 /nfs/dbraw/zinc/02/29/61/396022961.db2.gz HNWKSRUFXALGBP-RBSFLKMASA-N 1 0 312.458 0.689 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)C[C@@H](C)[NH2+]1 ZINC000153438128 396025110 /nfs/dbraw/zinc/02/51/10/396025110.db2.gz IOQNARWKYQEWQI-UMVBOHGHSA-N 1 0 324.446 0.851 50 0 DCAARO Cn1cc(C[N@@H+]2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)cn1 ZINC000257194582 396035975 /nfs/dbraw/zinc/03/59/75/396035975.db2.gz UHWFLGJUUWWATB-QWHCGFSZSA-N 1 0 303.366 0.888 50 0 DCAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)c1nnc[nH]1 ZINC000067872966 396037227 /nfs/dbraw/zinc/03/72/27/396037227.db2.gz XBRPSMROJKPVAZ-UHFFFAOYSA-N 1 0 301.350 0.905 50 0 DCAARO C[C@@H]1COCCN1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000257365504 396046845 /nfs/dbraw/zinc/04/68/45/396046845.db2.gz GJMNGNZVQPOBDA-JHJVBQTASA-N 1 0 303.428 0.120 50 0 DCAARO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000261597057 396047707 /nfs/dbraw/zinc/04/77/07/396047707.db2.gz AMCTWTCRFIZUKW-OCCSQVGLSA-N 1 0 308.403 0.424 50 0 DCAARO C[C@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)[N@H+](C)C1CC1 ZINC000068216965 396050096 /nfs/dbraw/zinc/05/00/96/396050096.db2.gz AJFPODRJUNZOOR-GFCCVEGCSA-N 1 0 321.425 0.370 50 0 DCAARO C[N@H+](CC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)C1CC1 ZINC000252490481 396020692 /nfs/dbraw/zinc/02/06/92/396020692.db2.gz KUULQHSGBLFPIF-UHFFFAOYSA-N 1 0 321.343 0.998 50 0 DCAARO CN1CCN(C(=O)C[NH+]2CCC(CCn3cccn3)CC2)CC1 ZINC000252489419 396020905 /nfs/dbraw/zinc/02/09/05/396020905.db2.gz JQQHUOLSCKXCNX-UHFFFAOYSA-N 1 0 319.453 0.759 50 0 DCAARO Cc1cc(NC(=O)C[NH2+][C@H]2CCCN(c3cccnn3)C2)on1 ZINC000069738763 396088442 /nfs/dbraw/zinc/08/84/42/396088442.db2.gz FSPLXQBXCHVJMY-LBPRGKRZSA-N 1 0 316.365 0.970 50 0 DCAARO CNC(=O)N1CCC([C@H]2CCN(C(=O)C3CC[NH2+]CC3)C2)CC1 ZINC000169781674 396091747 /nfs/dbraw/zinc/09/17/47/396091747.db2.gz HFFMHJCCZAIDGP-HNNXBMFYSA-N 1 0 322.453 0.886 50 0 DCAARO Cc1cnn(CC[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 ZINC000069900509 396094755 /nfs/dbraw/zinc/09/47/55/396094755.db2.gz YTFMRQXGUYRDGO-UHFFFAOYSA-N 1 0 302.382 0.608 50 0 DCAARO CC(C)(O)C[NH+]1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000069947144 396095383 /nfs/dbraw/zinc/09/53/83/396095383.db2.gz WGTPPVOJEXPMOX-UHFFFAOYSA-N 1 0 317.393 0.346 50 0 DCAARO CCCC[N@H+](CCO)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000070947740 396106711 /nfs/dbraw/zinc/10/67/11/396106711.db2.gz YMSVUUJWMMLTKN-UHFFFAOYSA-N 1 0 315.458 0.308 50 0 DCAARO CCOc1ncccc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000071867493 396119776 /nfs/dbraw/zinc/11/97/76/396119776.db2.gz VIGAEAQTHMSUKQ-CYBMUJFWSA-N 1 0 306.410 0.846 50 0 DCAARO C[NH+](C)C[C@H]1CN(Cc2cccc(OCC(N)=O)c2)CCO1 ZINC000071878827 396121742 /nfs/dbraw/zinc/12/17/42/396121742.db2.gz QSLASNCTXQMVIP-HNNXBMFYSA-N 1 0 307.394 0.313 50 0 DCAARO COC[C@H]([NH3+])C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000262343578 396127858 /nfs/dbraw/zinc/12/78/58/396127858.db2.gz TUJNLCRNSQCUBT-AWEZNQCLSA-N 1 0 300.362 0.731 50 0 DCAARO CN1CCO[C@H](C[NH2+]CCCS(=O)(=O)c2ccccc2)C1 ZINC000072267870 396127934 /nfs/dbraw/zinc/12/79/34/396127934.db2.gz XKDNPVYJADBLRY-CQSZACIVSA-N 1 0 312.435 0.771 50 0 DCAARO C[N@@H+](CC(=O)N1CCOCC1)C[C@H]1CCCN1c1cccnn1 ZINC000072279448 396129137 /nfs/dbraw/zinc/12/91/37/396129137.db2.gz MYVZMYIUEVFUOG-CQSZACIVSA-N 1 0 319.409 0.236 50 0 DCAARO C[C@]1([C@@H]2CCC[N@H+](CC(=O)NCC3CCC3)C2)NC(=O)NC1=O ZINC000072300681 396130691 /nfs/dbraw/zinc/13/06/91/396130691.db2.gz MOFZTVBUWLTVPQ-MLGOLLRUSA-N 1 0 322.409 0.213 50 0 DCAARO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000072300485 396130907 /nfs/dbraw/zinc/13/09/07/396130907.db2.gz IIWHERDYFFBEFY-AVGNSLFASA-N 1 0 319.471 0.503 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2ncc[nH]2)[C@H](C)C1 ZINC000072300644 396130920 /nfs/dbraw/zinc/13/09/20/396130920.db2.gz UAOBDCVLQCXGGF-NEPJUHHUSA-N 1 0 300.428 0.948 50 0 DCAARO Nc1ncc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)s1 ZINC000261885198 396076025 /nfs/dbraw/zinc/07/60/25/396076025.db2.gz RUOSZIDGTPLQCW-NSHDSACASA-N 1 0 310.423 0.796 50 0 DCAARO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@H]1c1ccccc1 ZINC000261918869 396079683 /nfs/dbraw/zinc/07/96/83/396079683.db2.gz ZELVNFDZCFFHGU-OLZOCXBDSA-N 1 0 306.391 0.773 50 0 DCAARO Cn1c(CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)nc2c1cccc2F ZINC000262521352 396150207 /nfs/dbraw/zinc/15/02/07/396150207.db2.gz NVMRFXQDPOYGJR-GXSJLCMTSA-N 1 0 306.341 0.094 50 0 DCAARO Cc1nc(CN2CCC[C@H]([N@H+](C)CCn3cncn3)C2)no1 ZINC000075130860 396176600 /nfs/dbraw/zinc/17/66/00/396176600.db2.gz CHKVOUAYIUHYFR-ZDUSSCGKSA-N 1 0 305.386 0.566 50 0 DCAARO Cc1noc(C)c1CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000078789292 396254240 /nfs/dbraw/zinc/25/42/40/396254240.db2.gz CVMJQAXWMGMIIQ-GJZGRUSLSA-N 1 0 307.394 0.892 50 0 DCAARO C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000182879303 396255881 /nfs/dbraw/zinc/25/58/81/396255881.db2.gz XROQPQDGNIZRJZ-FZMZJTMJSA-N 1 0 300.362 0.653 50 0 DCAARO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccccc2)cn1 ZINC000079111295 396261704 /nfs/dbraw/zinc/26/17/04/396261704.db2.gz LICVLVKMWIZCSC-UHFFFAOYSA-N 1 0 315.377 0.700 50 0 DCAARO CC(=O)c1ccc(N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)nc1 ZINC000077406796 396221067 /nfs/dbraw/zinc/22/10/67/396221067.db2.gz MYHCMTSKNSZYFR-QGZVFWFLSA-N 1 0 319.405 0.948 50 0 DCAARO Cc1nc(C)n([C@H](C)CN2C(=O)NC3(CC[NH2+]CC3)C2=O)n1 ZINC000077470292 396222875 /nfs/dbraw/zinc/22/28/75/396222875.db2.gz QDDFAXYIBACRPQ-SECBINFHSA-N 1 0 306.370 0.130 50 0 DCAARO CC(C)C[N@@H+]1CCN(C(=O)CCc2cn[nH]c2)C[C@@H]1CCO ZINC000584885478 396632273 /nfs/dbraw/zinc/63/22/73/396632273.db2.gz IWYBSLJVNPYFIG-HNNXBMFYSA-N 1 0 308.426 0.894 50 0 DCAARO COCCCC[NH+]1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC000584886765 396632340 /nfs/dbraw/zinc/63/23/40/396632340.db2.gz MKRYUKJBSPLLCA-UHFFFAOYSA-N 1 0 307.394 0.570 50 0 DCAARO CS(=O)(=O)NCC(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000584892327 396634237 /nfs/dbraw/zinc/63/42/37/396634237.db2.gz SMTRUNFKWVIYKC-UHFFFAOYSA-N 1 0 317.455 0.403 50 0 DCAARO C[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(F)ccc3O)C2)CC1 ZINC000584900689 396636134 /nfs/dbraw/zinc/63/61/34/396636134.db2.gz QPDCHCXBLOEESU-CYBMUJFWSA-N 1 0 307.369 0.993 50 0 DCAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1cnn2ccn(C)c12 ZINC000584899250 396636469 /nfs/dbraw/zinc/63/64/69/396636469.db2.gz LIVHFIWOHZKIMO-STQMWFEESA-N 1 0 305.382 0.510 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)N[C@@H]2COc3ccccc3C2)CC1 ZINC000584899061 396636643 /nfs/dbraw/zinc/63/66/43/396636643.db2.gz RWGRXOXMODQHNI-HNNXBMFYSA-N 1 0 303.406 0.744 50 0 DCAARO CN1CCN(C(=O)c2cc(Cl)cc(F)c2N)C[C@@H]1CO ZINC000585134337 396640639 /nfs/dbraw/zinc/64/06/39/396640639.db2.gz OCXYIQSHOUSSJV-SECBINFHSA-N 1 0 301.749 0.810 50 0 DCAARO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000585136542 396641216 /nfs/dbraw/zinc/64/12/16/396641216.db2.gz KCHRCXOXPDSIPJ-LSDHHAIUSA-N 1 0 324.425 0.400 50 0 DCAARO CNc1cc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)nc(C)[nH+]1 ZINC000585139221 396641591 /nfs/dbraw/zinc/64/15/91/396641591.db2.gz DUPTVUMSIYMYIP-SWLSCSKDSA-N 1 0 319.409 0.934 50 0 DCAARO CC[NH+]1CCN(CC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000579541993 397578393 /nfs/dbraw/zinc/57/83/93/397578393.db2.gz WNBNCGTUJUEROA-UHFFFAOYSA-N 1 0 305.426 0.753 50 0 DCAARO COc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1F ZINC000193323372 158582273 /nfs/dbraw/zinc/58/22/73/158582273.db2.gz FGPRDVAYQNKDTO-PHIMTYICSA-N 1 0 314.382 0.983 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C[C@H](C)[NH2+]1 ZINC000179161476 296876942 /nfs/dbraw/zinc/87/69/42/296876942.db2.gz BAGCBKJVODXIIP-UTINFBMNSA-N 1 0 307.316 0.652 50 0 DCAARO CCS(=O)(=O)NCCC[NH2+]Cc1c(C)nn(C)c1N(C)C ZINC000058405371 415341032 /nfs/dbraw/zinc/34/10/32/415341032.db2.gz HKNAURYQKHFEPV-UHFFFAOYSA-N 1 0 317.459 0.214 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCCc1ccc(OC)cc1 ZINC000067934651 415391055 /nfs/dbraw/zinc/39/10/55/415391055.db2.gz QRJLPGCSJNQYAC-HIFRSBDPSA-N 1 0 319.405 0.692 50 0 DCAARO C[N@@H+]1CCC[C@@H](C(=O)NCc2cc(N3CCOCC3)ncn2)C1 ZINC000072436101 415416230 /nfs/dbraw/zinc/41/62/30/415416230.db2.gz VAVKTVUIWUHARI-CYBMUJFWSA-N 1 0 319.409 0.271 50 0 DCAARO C[N@@H+]1CC[C@](C)(CNC(=O)c2cc(CN3CCOCC3)on2)C1 ZINC000067563070 415380849 /nfs/dbraw/zinc/38/08/49/415380849.db2.gz MWLHCTZQWULJDB-MRXNPFEDSA-N 1 0 322.409 0.578 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cn2cccc(C)c2n1 ZINC000067714595 415383028 /nfs/dbraw/zinc/38/30/28/415383028.db2.gz LQQRSWPXPFIKOG-AAEUAGOBSA-N 1 0 315.377 0.321 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2c(c1)OCCO2 ZINC000067688498 415383060 /nfs/dbraw/zinc/38/30/60/415383060.db2.gz JFZYGAZXLOWYCC-KBPBESRZSA-N 1 0 319.405 0.884 50 0 DCAARO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(=O)[nH]1 ZINC000075118568 415436639 /nfs/dbraw/zinc/43/66/39/415436639.db2.gz IGGKDWRTNACFIJ-CYBMUJFWSA-N 1 0 307.394 0.770 50 0 DCAARO C[C@H](O)CN1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000075603009 415447638 /nfs/dbraw/zinc/44/76/38/415447638.db2.gz HXXIKKXXUHWOHN-AWEZNQCLSA-N 1 0 305.422 0.887 50 0 DCAARO COc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)cc1 ZINC000091952244 415539913 /nfs/dbraw/zinc/53/99/13/415539913.db2.gz NONTWFPYXUBHDP-HUUCEWRRSA-N 1 0 322.405 0.300 50 0 DCAARO O=C(NCCN1CCNC1=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095362916 415551578 /nfs/dbraw/zinc/55/15/78/415551578.db2.gz HNRDVFYECYECQI-CYBMUJFWSA-N 1 0 320.393 0.633 50 0 DCAARO Cc1ccnc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000095361325 415552040 /nfs/dbraw/zinc/55/20/40/415552040.db2.gz GWMRSWYBCTXEDN-ZDUSSCGKSA-N 1 0 304.394 0.416 50 0 DCAARO Cc1nc[nH]c1CN1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000095377258 415558631 /nfs/dbraw/zinc/55/86/31/415558631.db2.gz JKZLUVJEBHNZPA-OCVGTWLNSA-N 1 0 322.453 0.868 50 0 DCAARO CCN1CC[NH+](C[C@@H]2CN(Cc3ncc[nH]3)C[C@@H]2CO)CC1 ZINC000095382217 415559845 /nfs/dbraw/zinc/55/98/45/415559845.db2.gz HSQLMGZOWJDEQG-HUUCEWRRSA-N 1 0 307.442 0.088 50 0 DCAARO O=C(CC1Cc2ccccc2C1)N1CC[N@@H+](CCO)C[C@H](O)C1 ZINC000097117561 415587785 /nfs/dbraw/zinc/58/77/85/415587785.db2.gz XQDGZLFPHQOTKA-KRWDZBQOSA-N 1 0 318.417 0.289 50 0 DCAARO COCCC1(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)CCC1 ZINC000107363208 415666431 /nfs/dbraw/zinc/66/64/31/415666431.db2.gz PONKMZMAPMYMKW-AWEZNQCLSA-N 1 0 312.458 0.738 50 0 DCAARO Cc1ccccc1[C@H]1CN(C(=O)CNC(=O)C[NH3+])[C@H](C)CO1 ZINC000124968224 415856946 /nfs/dbraw/zinc/85/69/46/415856946.db2.gz DRNYFKCQXZERCU-TZMCWYRMSA-N 1 0 305.378 0.358 50 0 DCAARO CO[C@]12CC[N@H+](CCn3c(=O)cc(C)[nH]c3=O)[C@H]1C[C@@H](O)CC2 ZINC000299760911 416064868 /nfs/dbraw/zinc/06/48/68/416064868.db2.gz RYDRLPZJGPHWBF-HEHGZKQESA-N 1 0 323.393 0.262 50 0 DCAARO [NH3+]CCCOc1ccc(F)cc1C(=O)N1CCOC[C@H]1CO ZINC000299784707 416066997 /nfs/dbraw/zinc/06/69/97/416066997.db2.gz ILYNZFKOXIGGKM-GFCCVEGCSA-N 1 0 312.341 0.387 50 0 DCAARO CNc1ncc(C(=O)NC2CCN(CC[NH+](C)C)CC2)cn1 ZINC000299780568 416068422 /nfs/dbraw/zinc/06/84/22/416068422.db2.gz QNWHQGSJXJZDAD-UHFFFAOYSA-N 1 0 306.414 0.274 50 0 DCAARO O=C(NCc1nnc2n1CC[NH2+]CC2)c1c(F)cccc1F ZINC000299787624 416069634 /nfs/dbraw/zinc/06/96/34/416069634.db2.gz PWHHWHXQXQHCCO-UHFFFAOYSA-N 1 0 307.304 0.632 50 0 DCAARO O=C(NC(CO)CO)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299802110 416072041 /nfs/dbraw/zinc/07/20/41/416072041.db2.gz WWOBDFIAFSAALD-XHSDSOJGSA-N 1 0 304.390 0.681 50 0 DCAARO C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1cccc(-n2ccnc2)c1 ZINC000237534905 416328228 /nfs/dbraw/zinc/32/82/28/416328228.db2.gz FYYLMDRMWBETLQ-NILFDRSVSA-N 1 0 300.362 0.772 50 0 DCAARO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000240900750 416329918 /nfs/dbraw/zinc/32/99/18/416329918.db2.gz ITONUQNWRSYXNG-GOEBONIOSA-N 1 0 306.410 0.954 50 0 DCAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000242302433 416330441 /nfs/dbraw/zinc/33/04/41/416330441.db2.gz YSORVVREZOPIDB-BXUZGUMPSA-N 1 0 316.423 0.922 50 0 DCAARO CCCC[C@H]([NH3+])C(=O)N1CCC(c2nnc(CO)n2C)CC1 ZINC000244723752 416330724 /nfs/dbraw/zinc/33/07/24/416330724.db2.gz MGRZTJIYAOMPDK-LBPRGKRZSA-N 1 0 309.414 0.531 50 0 DCAARO CC1CCN(C(=O)CC[NH+]2CCN(c3nc[nH]n3)CC2)CC1 ZINC000244673631 416330762 /nfs/dbraw/zinc/33/07/62/416330762.db2.gz HSWTYFCUADVJQE-UHFFFAOYSA-N 1 0 306.414 0.575 50 0 DCAARO CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000246488052 416331820 /nfs/dbraw/zinc/33/18/20/416331820.db2.gz DNNPNMJYUWLACF-RNJOBUHISA-N 1 0 302.440 0.847 50 0 DCAARO Nc1n[nH]c(CNC(=O)c2ccc(OCCC[NH3+])c(Cl)c2)n1 ZINC000426620269 416777470 /nfs/dbraw/zinc/77/74/70/416777470.db2.gz PTBLHUDVWUTRTE-UHFFFAOYSA-N 1 0 324.772 0.698 50 0 DCAARO O=C(NCc1noc(-c2c(F)cccc2F)n1)[C@@H]1C[NH2+]CCO1 ZINC000299758479 229403781 /nfs/dbraw/zinc/40/37/81/229403781.db2.gz NPJUMFRWAVYOKO-JTQLQIEISA-N 1 0 324.287 0.619 50 0 DCAARO O[C@H]1CN(c2ncnc3nc[nH]c32)CC[N@H+](Cc2ccco2)C1 ZINC000097213187 275054474 /nfs/dbraw/zinc/05/44/74/275054474.db2.gz IPFZKMHFECTRMR-LLVKDONJSA-N 1 0 314.349 0.629 50 0 DCAARO CC(C)(C)C(=O)NCCC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000089621319 278288015 /nfs/dbraw/zinc/28/80/15/278288015.db2.gz ZJHYSDLONQHWJD-UHFFFAOYSA-N 1 0 313.442 0.454 50 0 DCAARO C[C@H](C(=O)NCC(F)(F)F)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000106908701 298147294 /nfs/dbraw/zinc/14/72/94/298147294.db2.gz ZLIBFPUUMJCMMN-GARJFASQSA-N 1 0 311.348 0.440 50 0 DCAARO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2O)c(C)cc1Cl ZINC000534587220 334292332 /nfs/dbraw/zinc/29/23/32/334292332.db2.gz XAPQTFOTXOHFRX-GHMZBOCLSA-N 1 0 304.799 0.568 50 0 DCAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccccc1-n1cccn1 ZINC000534674647 334322056 /nfs/dbraw/zinc/32/20/56/334322056.db2.gz PLLPYQINJLABEW-ZFWWWQNUSA-N 1 0 300.362 0.931 50 0 DCAARO O=C(CN1c2ccccc2N2CCC[NH+]=C12)N1CCOCC1 ZINC000100833600 518198504 /nfs/dbraw/zinc/19/85/04/518198504.db2.gz DOGCOLAHOBHKPN-UHFFFAOYSA-N 1 0 300.362 0.932 50 0 DCAARO CN1C(=O)C[C@@H](C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC000237056247 523696856 /nfs/dbraw/zinc/69/68/56/523696856.db2.gz XBDSJFLATDIBMO-HIFRSBDPSA-N 1 0 305.353 0.777 50 0 DCAARO COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000158228495 526079313 /nfs/dbraw/zinc/07/93/13/526079313.db2.gz WDOCGVSFWBIZQZ-HOCLYGCPSA-N 1 0 319.405 0.692 50 0 DCAARO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000084281161 545700202 /nfs/dbraw/zinc/70/02/02/545700202.db2.gz KGVVBQMNSPPDQG-CYBMUJFWSA-N 1 0 323.397 0.279 50 0 DCAARO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000084281159 545701088 /nfs/dbraw/zinc/70/10/88/545701088.db2.gz WMTVPLRXZDWKPT-KBPBESRZSA-N 1 0 308.382 0.980 50 0 DCAARO CC[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@@H]1[NH+](C)C ZINC000084735519 545702808 /nfs/dbraw/zinc/70/28/08/545702808.db2.gz ZPJLDBKTIZFZKH-NEPJUHHUSA-N 1 0 310.398 0.117 50 0 DCAARO C[N@H+](Cc1ccc(OCC(N)=O)c(Cl)c1)[C@H]1COC[C@@H]1O ZINC000215749469 545937969 /nfs/dbraw/zinc/93/79/69/545937969.db2.gz NGHPMOVBJJGRPF-RYUDHWBXSA-N 1 0 314.769 0.396 50 0 DCAARO 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C[NH+](C)C[C@@H]1CN(C[C@@H](O)COc2ccc(F)cc2)CCO1 ZINC000106785910 194252094 /nfs/dbraw/zinc/25/20/94/194252094.db2.gz FXWJXDPHXCUOQR-GDBMZVCRSA-N 1 0 312.385 0.828 50 0 DCAARO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1CCN(C(=O)C2CC2)CC1 ZINC000058160897 184082184 /nfs/dbraw/zinc/08/21/84/184082184.db2.gz YQOJRBMWQKNUQN-AWEZNQCLSA-N 1 0 305.422 0.988 50 0 DCAARO CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000058265250 184095811 /nfs/dbraw/zinc/09/58/11/184095811.db2.gz ZHYNDBYEYMIAGL-CYBMUJFWSA-N 1 0 317.455 0.259 50 0 DCAARO CCS(=O)(=O)N1CCC[C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000065363096 184328864 /nfs/dbraw/zinc/32/88/64/184328864.db2.gz QRCNFLILJCVVJT-LBPRGKRZSA-N 1 0 317.455 0.259 50 0 DCAARO C[C@@H](CNC(=O)Nc1cnn(CC(N)=O)c1)C[NH+]1CCCC1 ZINC000065429144 184343408 /nfs/dbraw/zinc/34/34/08/184343408.db2.gz FPHCUQAJMMRDNK-NSHDSACASA-N 1 0 308.386 0.222 50 0 DCAARO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000065495730 184354897 /nfs/dbraw/zinc/35/48/97/184354897.db2.gz LUHZDAFXKVCLQY-VIFPVBQESA-N 1 0 300.428 0.798 50 0 DCAARO Cc1cc(=O)[nH]c(NCCNC(=O)C[NH+]2CCCCCC2)n1 ZINC000065494220 184355125 /nfs/dbraw/zinc/35/51/25/184355125.db2.gz NJJVBHQSSPUHAJ-UHFFFAOYSA-N 1 0 307.398 0.482 50 0 DCAARO c1cc2n(n1)C[C@H](C[NH2+]Cc1cccnc1-n1cncn1)CN2 ZINC000069520685 184522605 /nfs/dbraw/zinc/52/26/05/184522605.db2.gz ZQYMBCQVERNSMG-GFCCVEGCSA-N 1 0 310.365 0.690 50 0 DCAARO Cc1ccc(C(=O)NC2(C(N)=O)CCCC2)cc1OCC[NH3+] ZINC000426515479 257247997 /nfs/dbraw/zinc/24/79/97/257247997.db2.gz DMDJYHLOUOBTPX-UHFFFAOYSA-N 1 0 305.378 0.860 50 0 DCAARO COc1ccnc(N2CCC(C(=O)N3CC[NH2+]C[C@H]3C)CC2)n1 ZINC000124734850 195673335 /nfs/dbraw/zinc/67/33/35/195673335.db2.gz ZYCXYJXGBLGHIN-GFCCVEGCSA-N 1 0 319.409 0.522 50 0 DCAARO NC(=O)NC(=O)CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000014242134 395689534 /nfs/dbraw/zinc/68/95/34/395689534.db2.gz FLLWVGFHDUADHD-UHFFFAOYSA-N 1 0 319.361 0.872 50 0 DCAARO COCCOC[C@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002147884 395681308 /nfs/dbraw/zinc/68/13/08/395681308.db2.gz JRIGTVRHELNNNO-RRFJBIMHSA-N 1 0 322.405 0.291 50 0 biogenic DCAARO CS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000002944166 395682033 /nfs/dbraw/zinc/68/20/33/395682033.db2.gz UDMCTCXZDDJMQI-ZDUSSCGKSA-N 1 0 317.455 0.260 50 0 DCAARO C[NH+](C)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000002943427 395682187 /nfs/dbraw/zinc/68/21/87/395682187.db2.gz AKSLKFUICFVMBE-UHFFFAOYSA-N 1 0 300.362 0.588 50 0 DCAARO Cc1nc(C)c(C(=O)N2CCOC[C@@H]2C[N@H+](C)CCO)s1 ZINC000085470078 395701212 /nfs/dbraw/zinc/70/12/12/395701212.db2.gz MIWRFRSVUKSPHY-LBPRGKRZSA-N 1 0 313.423 0.525 50 0 DCAARO Cc1ccc(OCC(=O)N2CCOC[C@H]2C[N@H+](C)CCO)cc1 ZINC000085469971 395701220 /nfs/dbraw/zinc/70/12/20/395701220.db2.gz UMTYQXCEMKHPEP-OAHLLOKOSA-N 1 0 322.405 0.525 50 0 DCAARO CNC(=O)NC(=O)CN1CCC[N@H+](Cc2cccs2)CC1 ZINC000030210629 395702018 /nfs/dbraw/zinc/70/20/18/395702018.db2.gz SPPPMNBJQWXKHV-UHFFFAOYSA-N 1 0 310.423 0.711 50 0 DCAARO O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000089819058 395715401 /nfs/dbraw/zinc/71/54/01/395715401.db2.gz GBYGTHRXHTTYJD-CYBMUJFWSA-N 1 0 318.425 0.994 50 0 DCAARO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC000028851915 395696307 /nfs/dbraw/zinc/69/63/07/395696307.db2.gz RJXGYJPMICSRMH-UHFFFAOYSA-N 1 0 324.406 0.373 50 0 DCAARO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1cnc2ccccc2c1 ZINC000037020281 395725710 /nfs/dbraw/zinc/72/57/10/395725710.db2.gz TXYAXMKAQVCMKY-GFCCVEGCSA-N 1 0 307.375 0.935 50 0 DCAARO Cc1nnnn1Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000096137899 395746116 /nfs/dbraw/zinc/74/61/16/395746116.db2.gz NBYRQGLUOIJGRU-CQSZACIVSA-N 1 0 300.366 0.512 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H]1CO)N[C@H]1CCN(c2ccccn2)C1 ZINC000096494431 395754184 /nfs/dbraw/zinc/75/41/84/395754184.db2.gz CHBMRFXNZJXXBH-UONOGXRCSA-N 1 0 304.394 0.233 50 0 DCAARO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097202682 395755941 /nfs/dbraw/zinc/75/59/41/395755941.db2.gz KUVFOIFHQDGSIJ-ZDUSSCGKSA-N 1 0 306.410 0.847 50 0 DCAARO Cn1cc(C2CC[NH+](CCC(=O)N3CCOCC3)CC2)cn1 ZINC000097202989 395756088 /nfs/dbraw/zinc/75/60/88/395756088.db2.gz BZSVAMAZYJMZHA-UHFFFAOYSA-N 1 0 306.410 0.848 50 0 DCAARO Cc1cnn(C[C@@H]2CCC[N@H+]2[C@H](C)C(=O)N2CCOCC2)c1 ZINC000106868921 395783828 /nfs/dbraw/zinc/78/38/28/395783828.db2.gz ZSLQSKYYBBSIEQ-CABCVRRESA-N 1 0 306.410 0.903 50 0 DCAARO CC(=O)N1CCN([C@H]2CN(Cc3ncc(C)o3)C[C@H]2C)CC1 ZINC000107058138 395784417 /nfs/dbraw/zinc/78/44/17/395784417.db2.gz UGRHNRTYNZKHCB-DOMZBBRYSA-N 1 0 306.410 0.967 50 0 DCAARO CC(=O)OCc1c(COC(C)=O)[n+](=O)c2ccccc2n1O ZINC000100011700 395762274 /nfs/dbraw/zinc/76/22/74/395762274.db2.gz SLXBTPJDZAYCPX-UHFFFAOYSA-N 1 0 307.282 0.919 50 0 in-vitro DCAARO COCCOc1ccc(Cl)cc1S(=O)(=O)NCC[NH3+] ZINC000225485850 395860654 /nfs/dbraw/zinc/86/06/54/395860654.db2.gz BQIKPLLRMDTAIP-UHFFFAOYSA-N 1 0 308.787 0.602 50 0 DCAARO Nc1cc(=O)[nH]c(CCNC(=O)C2([NH+]3CCCC3)CCCC2)n1 ZINC000219929056 395846942 /nfs/dbraw/zinc/84/69/42/395846942.db2.gz UEKXRVLGKVIPIH-UHFFFAOYSA-N 1 0 319.409 0.832 50 0 DCAARO CNC(=O)CCN(C)c1cc(C2CC([NH3+])C2)nc(N(C)C)n1 ZINC000222942209 395853584 /nfs/dbraw/zinc/85/35/84/395853584.db2.gz XHZALZVOMPSTOT-UHFFFAOYSA-N 1 0 306.414 0.320 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000126232166 395911122 /nfs/dbraw/zinc/91/11/22/395911122.db2.gz UCEBXHKXPDVWKJ-JTQLQIEISA-N 1 0 316.810 0.934 50 0 DCAARO Cc1c(C(=O)NC[C@H]2CCC[NH2+]2)sc2ncn(C)c(=O)c12 ZINC000055393069 395918812 /nfs/dbraw/zinc/91/88/12/395918812.db2.gz ZGDNMAKPRKGHKI-SECBINFHSA-N 1 0 306.391 0.785 50 0 DCAARO COc1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(OC)n1 ZINC000244874996 395926109 /nfs/dbraw/zinc/92/61/09/395926109.db2.gz XKWLHOLAJOKLHG-LBPRGKRZSA-N 1 0 320.393 0.219 50 0 DCAARO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229713959 395875495 /nfs/dbraw/zinc/87/54/95/395875495.db2.gz HCSCPAIDTALWEC-FRRDWIJNSA-N 1 0 315.439 0.153 50 0 DCAARO C[C@H](CNC(=O)N[C@@H](C)c1nncn1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000229814578 395876119 /nfs/dbraw/zinc/87/61/19/395876119.db2.gz KIUMMGJDGMFOEX-NDBYEHHHSA-N 1 0 324.429 0.673 50 0 DCAARO COc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1OC ZINC000053254700 395879052 /nfs/dbraw/zinc/87/90/52/395879052.db2.gz JWPBIDZOAMZPLT-VIFPVBQESA-N 1 0 318.370 0.873 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCn1ccnc1C ZINC000065531279 395994189 /nfs/dbraw/zinc/99/41/89/395994189.db2.gz UACGHOPUBFLHCG-UHFFFAOYSA-N 1 0 318.425 0.860 50 0 DCAARO O=C(N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1ccc(CO)o1 ZINC000252527465 396022744 /nfs/dbraw/zinc/02/27/44/396022744.db2.gz CPROCRSYIAROTL-LALPHHSUSA-N 1 0 308.378 0.641 50 0 DCAARO C[C@@H]1CN(C(=O)CN2CCN(c3ccccn3)CC2)C[C@@H](C)[NH2+]1 ZINC000153972211 396028074 /nfs/dbraw/zinc/02/80/74/396028074.db2.gz JZNRPAMZTBHHMZ-HUUCEWRRSA-N 1 0 317.437 0.412 50 0 DCAARO Cc1cc(C)cc(C[N@@H+]2CC[C@H](CNC(=O)CNC(N)=O)C2)c1 ZINC000067774832 396033297 /nfs/dbraw/zinc/03/32/97/396033297.db2.gz RZYSPIXYKJDXPI-CQSZACIVSA-N 1 0 318.421 0.910 50 0 DCAARO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000257186240 396034463 /nfs/dbraw/zinc/03/44/63/396034463.db2.gz KFNRTOVXWMDHEF-JKSUJKDBSA-N 1 0 314.389 0.492 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CCNC(=O)C2=NNC(=O)CC2)C1 ZINC000067868856 396036988 /nfs/dbraw/zinc/03/69/88/396036988.db2.gz VPLNRBZNNHURKJ-LBPRGKRZSA-N 1 0 310.398 0.116 50 0 DCAARO COCC[NH2+]C[C@@]1(O)CCCN(Cc2cccc(OC)c2)C1=O ZINC000067878603 396038316 /nfs/dbraw/zinc/03/83/16/396038316.db2.gz QRXSZPDJAOTSBA-KRWDZBQOSA-N 1 0 322.405 0.785 50 0 DCAARO C[C@@](C[NH3+])(NC(=O)Cc1ccc(-n2cnnn2)cc1)C1CC1 ZINC000154942490 396045612 /nfs/dbraw/zinc/04/56/12/396045612.db2.gz FMQOLIYEELAKML-HNNXBMFYSA-N 1 0 300.366 0.448 50 0 DCAARO CCCn1ncnc1[C@@H](C)NC(=O)CCN1CC[NH+](C)CC1 ZINC000252482231 396019755 /nfs/dbraw/zinc/01/97/55/396019755.db2.gz DBBNGQPKBTZCPQ-CYBMUJFWSA-N 1 0 308.430 0.503 50 0 DCAARO Cc1nccc(C2CCN(C(=O)[C@H]3[C@@H]([NH3+])[C@@H]4C=C[C@H]3O4)CC2)n1 ZINC000252490427 396020840 /nfs/dbraw/zinc/02/08/40/396020840.db2.gz KTCURKMYHGDVMK-QXSJWSMHSA-N 1 0 314.389 0.772 50 0 DCAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)Nc1ccc(Cl)cn1 ZINC000069739531 396088650 /nfs/dbraw/zinc/08/86/50/396088650.db2.gz FQBDPRLGEWJJEK-SNVBAGLBSA-N 1 0 306.757 0.870 50 0 DCAARO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)CN2CCCC2=O)CC1 ZINC000069771702 396089547 /nfs/dbraw/zinc/08/95/47/396089547.db2.gz WUOZWGXWRKWDNX-CYBMUJFWSA-N 1 0 311.426 0.160 50 0 DCAARO CCN1CCO[C@H](C[NH2+]Cc2cnc(N3CCOCC3)nc2)C1 ZINC000069780272 396090356 /nfs/dbraw/zinc/09/03/56/396090356.db2.gz UFONSVMKDIXIGX-OAHLLOKOSA-N 1 0 321.425 0.124 50 0 DCAARO COc1ccc(OC)c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC000169756843 396091029 /nfs/dbraw/zinc/09/10/29/396091029.db2.gz NPEDPAWETFOCHF-BETUJISGSA-N 1 0 304.346 0.750 50 0 DCAARO CN(CCNC(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccccc1 ZINC000069872254 396092963 /nfs/dbraw/zinc/09/29/63/396092963.db2.gz AICHGWFEKHRMFC-UHFFFAOYSA-N 1 0 318.421 0.436 50 0 DCAARO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC000071817161 396116175 /nfs/dbraw/zinc/11/61/75/396116175.db2.gz FJBVXPVBLDQKBG-NSHDSACASA-N 1 0 319.365 0.155 50 0 DCAARO O=C(C[NH2+]C1(CO)CCOCC1)Nc1cccc2nsnc21 ZINC000071892998 396123813 /nfs/dbraw/zinc/12/38/13/396123813.db2.gz LFIKLVBAKJUFIX-UHFFFAOYSA-N 1 0 322.390 0.761 50 0 DCAARO CC(C)CNC(=O)CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000072294919 396129838 /nfs/dbraw/zinc/12/98/38/396129838.db2.gz RLDUZGOSCXSALO-RRFJBIMHSA-N 1 0 322.453 0.884 50 0 DCAARO O=C(C[NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)NC1CC1 ZINC000069626443 396085283 /nfs/dbraw/zinc/08/52/83/396085283.db2.gz UVVLFMHLHZBMFI-CYBMUJFWSA-N 1 0 319.409 0.780 50 0 DCAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCN(CCO)CC1 ZINC000069631578 396085316 /nfs/dbraw/zinc/08/53/16/396085316.db2.gz IPMCJQOYKYPPHX-QGZVFWFLSA-N 1 0 307.438 0.089 50 0 DCAARO Cc1nc(CN(C)[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)no1 ZINC000076047289 396192760 /nfs/dbraw/zinc/19/27/60/396192760.db2.gz NYERKXUJCINVLX-KBPBESRZSA-N 1 0 320.397 0.142 50 0 DCAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1c[nH]nc1C ZINC000078898654 396256907 /nfs/dbraw/zinc/25/69/07/396256907.db2.gz JTYPYVHDKCWGFE-AAEUAGOBSA-N 1 0 300.428 0.868 50 0 DCAARO O=C(NCc1ccncn1)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000077298123 396217214 /nfs/dbraw/zinc/21/72/14/396217214.db2.gz ICVRSPGKRBEFPF-GFCCVEGCSA-N 1 0 315.381 0.530 50 0 DCAARO COc1cc(N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)ncn1 ZINC000077299891 396218681 /nfs/dbraw/zinc/21/86/81/396218681.db2.gz ZPTQRPVWIMGDGC-OAHLLOKOSA-N 1 0 308.382 0.149 50 0 DCAARO O=S(=O)(c1ccccc1)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000077358147 396219257 /nfs/dbraw/zinc/21/92/57/396219257.db2.gz NXGDKIABBUWBKS-AWEZNQCLSA-N 1 0 309.435 0.602 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1nc(C(F)(F)F)no1 ZINC000077353695 396219328 /nfs/dbraw/zinc/21/93/28/396219328.db2.gz JYZKNBCBEJWRPH-UHFFFAOYSA-N 1 0 319.243 0.262 50 0 DCAARO Cc1ccccc1[C@H](CC(=O)N(C)[C@H]1CC[NH2+]C1)NC(N)=O ZINC000179049120 396219347 /nfs/dbraw/zinc/21/93/47/396219347.db2.gz MXPIMZXJKMJREG-JSGCOSHPSA-N 1 0 304.394 0.915 50 0 DCAARO CCNS(=O)(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192940574 396440967 /nfs/dbraw/zinc/44/09/67/396440967.db2.gz OXQHLKKSUSZUBI-CQSZACIVSA-N 1 0 312.439 0.690 50 0 DCAARO CC[N@@H+]1CCN(C(=O)Cn2c(C)cc(C)nc2=O)CC1(C)C ZINC000584885529 396632605 /nfs/dbraw/zinc/63/26/05/396632605.db2.gz QUDCIZYHSQNRTG-UHFFFAOYSA-N 1 0 306.410 0.803 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000584891448 396634304 /nfs/dbraw/zinc/63/43/04/396634304.db2.gz BGCANQDHZSPYSM-GJZGRUSLSA-N 1 0 315.377 0.921 50 0 DCAARO Nc1cc(=O)[nH]c(CCNC(=O)C[NH+]2CCCCCCC2)n1 ZINC000584894611 396635011 /nfs/dbraw/zinc/63/50/11/396635011.db2.gz RXDMUYHLPIVZBQ-UHFFFAOYSA-N 1 0 307.398 0.689 50 0 DCAARO O=C(CN1CCCCC1=O)NCCC[N@H+]1CCCC[C@@H]1CO ZINC000584900795 396636641 /nfs/dbraw/zinc/63/66/41/396636641.db2.gz XUWGIDJCEYDMLE-CQSZACIVSA-N 1 0 311.426 0.352 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN([C@@H]3C[C@H](C)OC3=O)C[C@H]2C)CC1 ZINC000299754158 396714423 /nfs/dbraw/zinc/71/44/23/396714423.db2.gz IOTZDPAQXYFIAN-OCVGTWLNSA-N 1 0 323.437 0.565 50 0 DCAARO COCCCS(=O)(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000132137460 158308103 /nfs/dbraw/zinc/30/81/03/158308103.db2.gz LXTFNCZVDLAWSR-ZDUSSCGKSA-N 1 0 306.428 0.149 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000134175204 158324539 /nfs/dbraw/zinc/32/45/39/158324539.db2.gz NWNFSAJMNLHONO-UWVGGRQHSA-N 1 0 307.316 0.608 50 0 DCAARO Cn1cc(CN2CCCN(c3nccn(C)c3=O)CC2)cn1 ZINC000329737859 159116483 /nfs/dbraw/zinc/11/64/83/159116483.db2.gz MKSNKDRDOHQYIT-UHFFFAOYSA-N 1 0 302.382 0.226 50 0 DCAARO CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000255847479 287127052 /nfs/dbraw/zinc/12/70/52/287127052.db2.gz PIBDXYHHFGSPKM-SKXBYLJPSA-N 1 0 302.378 0.663 50 0 DCAARO COc1ccc([C@@H](CC(=O)N2CC[C@H]([NH3+])C2)NC(C)=O)cc1 ZINC000132352196 196248340 /nfs/dbraw/zinc/24/83/40/196248340.db2.gz GULLDJKSESIWHU-DZGCQCFKSA-N 1 0 305.378 0.822 50 0 DCAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000004149099 415128034 /nfs/dbraw/zinc/12/80/34/415128034.db2.gz CROXUDSHGJTNPN-GFCCVEGCSA-N 1 0 305.444 0.116 50 0 DCAARO CC(C)C[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000031582045 415186252 /nfs/dbraw/zinc/18/62/52/415186252.db2.gz JPIFFEVOTNZBNS-UHFFFAOYSA-N 1 0 310.398 0.215 50 0 DCAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000044937494 415235155 /nfs/dbraw/zinc/23/51/55/415235155.db2.gz CVRZDUOSQVUEBU-TXEJJXNPSA-N 1 0 300.428 0.676 50 0 DCAARO O=C(Cn1nc2ccccn2c1=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044941767 415235201 /nfs/dbraw/zinc/23/52/01/415235201.db2.gz BYTIKICLGOHNRW-CHWSQXEVSA-N 1 0 315.377 0.239 50 0 DCAARO NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044935868 415235575 /nfs/dbraw/zinc/23/55/75/415235575.db2.gz DVKWDFHYPXTUCR-LLVKDONJSA-N 1 0 323.418 0.548 50 0 DCAARO CC(C)c1noc(CCCC(=O)NCCN2CC[NH+](C)CC2)n1 ZINC000046744495 415259792 /nfs/dbraw/zinc/25/97/92/415259792.db2.gz DXCDAFSIMMTNAH-UHFFFAOYSA-N 1 0 323.441 0.879 50 0 DCAARO CC(C)N(CC(N)=O)CC(=O)NCCN1CCc2ccccc21 ZINC000051477088 415311215 /nfs/dbraw/zinc/31/12/15/415311215.db2.gz NVNUZPGBBOHFIX-UHFFFAOYSA-N 1 0 318.421 0.361 50 0 DCAARO CNC(=O)c1[nH]nc2c1CN(C(=O)C[NH+]1CCCCCC1)CC2 ZINC000067678685 415379463 /nfs/dbraw/zinc/37/94/63/415379463.db2.gz HHSJHLNBABMQJM-UHFFFAOYSA-N 1 0 319.409 0.530 50 0 DCAARO C[C@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000075132670 415439219 /nfs/dbraw/zinc/43/92/19/415439219.db2.gz RIWIPHOBLFLESQ-XHDPSFHLSA-N 1 0 300.349 0.997 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc2c(s1)CCCC2 ZINC000077300464 415459768 /nfs/dbraw/zinc/45/97/68/415459768.db2.gz OANRNBOETMFTOK-MNOVXSKESA-N 1 0 307.419 0.915 50 0 DCAARO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)cc1 ZINC000091725673 415538177 /nfs/dbraw/zinc/53/81/77/415538177.db2.gz ZZYGMUHGWUDDCZ-HZPDHXFCSA-N 1 0 306.406 0.600 50 0 DCAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC000095354243 415551831 /nfs/dbraw/zinc/55/18/31/415551831.db2.gz OGOLWEMIYQMPCK-GFCCVEGCSA-N 1 0 317.397 0.583 50 0 DCAARO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C[C@H]1[NH+](C)C ZINC000107057177 415660654 /nfs/dbraw/zinc/66/06/54/415660654.db2.gz NMJIPBLNHQYBOE-OUAUKWLOSA-N 1 0 321.343 0.806 50 0 DCAARO CN1CCO[C@@H](C(=O)Nc2ccc3c(c2)N(C)CC[N@@H+](C)C3)C1 ZINC000108168965 415675261 /nfs/dbraw/zinc/67/52/61/415675261.db2.gz HDFLNFHEXNBNDD-MRXNPFEDSA-N 1 0 318.421 0.837 50 0 DCAARO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCCC[C@@H]3C(N)=O)C2=O)n(C)n1 ZINC000130900227 415922615 /nfs/dbraw/zinc/92/26/15/415922615.db2.gz QVSQZTHOTZUHHM-AVGNSLFASA-N 1 0 319.409 0.468 50 0 DCAARO Cc1[nH]nc(C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)c1Cl ZINC000299756494 416064373 /nfs/dbraw/zinc/06/43/73/416064373.db2.gz JCNXTWZCTBUUQR-JTQLQIEISA-N 1 0 300.790 0.948 50 0 DCAARO C[N@H+](CC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1)C1CCCC1 ZINC000299762985 416066026 /nfs/dbraw/zinc/06/60/26/416066026.db2.gz XPJGGARHXUXUNO-LSDHHAIUSA-N 1 0 319.409 0.825 50 0 DCAARO CC(C)c1nc(CCN(C)C(=O)[C@H]2[C@@H]([NH3+])[C@@H]3C=C[C@H]2O3)no1 ZINC000299782741 416066958 /nfs/dbraw/zinc/06/69/58/416066958.db2.gz NEVAGRGKKAQZAZ-DNIRFERGSA-N 1 0 306.366 0.475 50 0 DCAARO COCCCn1cnnc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC000299782091 416067140 /nfs/dbraw/zinc/06/71/40/416067140.db2.gz ULKDKMIMPBIJKP-UHFFFAOYSA-N 1 0 309.414 0.805 50 0 DCAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cn(C)c(C)n1 ZINC000246831675 416332419 /nfs/dbraw/zinc/33/24/19/416332419.db2.gz CXUCGLVXHWXCAB-OLZOCXBDSA-N 1 0 312.439 0.976 50 0 DCAARO Fc1ccccc1[C@@H]1COc2c(CN3CC[NH2+]CC3)nnn2C1 ZINC000263615168 416338357 /nfs/dbraw/zinc/33/83/57/416338357.db2.gz AZIMNFDFYYZGHZ-LBPRGKRZSA-N 1 0 317.368 0.999 50 0 DCAARO COc1ccc(CN2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)cn1 ZINC000215484060 416327204 /nfs/dbraw/zinc/32/72/04/416327204.db2.gz XZRBNQZOQIOTNS-GJZGRUSLSA-N 1 0 307.394 0.358 50 0 DCAARO CC(C)(CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc2c(c1)OCO2 ZINC000236694609 416328285 /nfs/dbraw/zinc/32/82/85/416328285.db2.gz HKEHHVVMOOIHOD-VXGBXAGGSA-N 1 0 306.362 0.532 50 0 DCAARO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000237891335 416328933 /nfs/dbraw/zinc/32/89/33/416328933.db2.gz FFNWPGQXBSJUIV-CYBMUJFWSA-N 1 0 307.369 0.682 50 0 DCAARO [NH3+][C@H]1CCN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000238062321 416329757 /nfs/dbraw/zinc/32/97/57/416329757.db2.gz CNTVLEFGFAMOKP-GJZGRUSLSA-N 1 0 307.369 0.759 50 0 DCAARO Cn1c(CNC(=O)CN2CC[C@H]([NH+](C)C)C2)nc2ccccc21 ZINC000244708196 416330694 /nfs/dbraw/zinc/33/06/94/416330694.db2.gz KPIFOBZHRPMRCX-ZDUSSCGKSA-N 1 0 315.421 0.825 50 0 DCAARO C[NH+]1CCC(OCCCNc2cc3nncn3c(N)n2)CC1 ZINC000534655113 416505973 /nfs/dbraw/zinc/50/59/73/416505973.db2.gz HVHLZUJGTCGQDI-UHFFFAOYSA-N 1 0 305.386 0.619 50 0 DCAARO COCc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000528056587 272631489 /nfs/dbraw/zinc/63/14/89/272631489.db2.gz OKSWYWMPWISJEC-UHFFFAOYSA-N 1 0 314.407 0.619 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000249116715 276373718 /nfs/dbraw/zinc/37/37/18/276373718.db2.gz SBNHFUFYZHDHQL-RWMBFGLXSA-N 1 0 305.444 0.414 50 0 DCAARO NC(=O)C1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000051186153 295036177 /nfs/dbraw/zinc/03/61/77/295036177.db2.gz LSHFXNLYGJTDIL-UONOGXRCSA-N 1 0 309.410 0.354 50 0 DCAARO CN(Cc1cnc2ccccc2n1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000534663296 334322598 /nfs/dbraw/zinc/32/25/98/334322598.db2.gz XQKZZRULQGHIJR-ZDUSSCGKSA-N 1 0 300.362 0.967 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C[C@@H](C)[NH2+]1 ZINC000154278936 534424816 /nfs/dbraw/zinc/42/48/16/534424816.db2.gz QHFZWEBMOBNBEY-RKDXNWHRSA-N 1 0 315.370 0.296 50 0 DCAARO O=C(NCCc1ccc(-n2cccn2)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000299748552 534446708 /nfs/dbraw/zinc/44/67/08/534446708.db2.gz HKUUIVVXNTZDJE-LSDHHAIUSA-N 1 0 300.362 0.254 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000158277989 522259315 /nfs/dbraw/zinc/25/93/15/522259315.db2.gz NXUPUNBHUXFOOE-VIFPVBQESA-N 1 0 301.368 0.059 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)NCCCNc2cccnc2)CC1 ZINC000223413834 545943098 /nfs/dbraw/zinc/94/30/98/545943098.db2.gz JPCNJRQFPRUXET-UHFFFAOYSA-N 1 0 305.426 0.637 50 0 DCAARO CC1CC[NH+](C[C@H](O)CN2CCC[C@H]2Cn2cncn2)CC1 ZINC000257365385 545975949 /nfs/dbraw/zinc/97/59/49/545975949.db2.gz VBVVFWKVGKKUQQ-HOTGVXAUSA-N 1 0 307.442 0.835 50 0 DCAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCc1ccc2nsnc2c1 ZINC000670445173 547093234 /nfs/dbraw/zinc/09/32/34/547093234.db2.gz KJOORWGLBHHMJD-JTQLQIEISA-N 1 0 302.363 0.601 50 0 DCAARO C[C@@H](CCn1cccn1)[NH+]1CCC2(CC1)CN(C)C(=O)CO2 ZINC000670451715 547095863 /nfs/dbraw/zinc/09/58/63/547095863.db2.gz LNMJESNCCYNKDL-AWEZNQCLSA-N 1 0 306.410 0.985 50 0 DCAARO Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@]1(C)CC[N@H+](C)C1 ZINC000670466112 547099300 /nfs/dbraw/zinc/09/93/00/547099300.db2.gz YCMVMVZCVYAXII-CYBMUJFWSA-N 1 0 300.428 0.989 50 0 DCAARO O=C(CNC(=O)NCc1ccc(F)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000170048140 563902858 /nfs/dbraw/zinc/90/28/58/563902858.db2.gz ABIVDURISXBAHE-ZDUSSCGKSA-N 1 0 322.384 0.741 50 0 DCAARO Cc1ccnc2nc(C(=O)N(C[C@H]3CCC[NH2+]3)C3CC3)nn21 ZINC000186505114 666231795 /nfs/dbraw/zinc/23/17/95/666231795.db2.gz PEGPVLJGBAODTJ-LLVKDONJSA-N 1 0 300.366 0.789 50 0 DCAARO COc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)on1 ZINC000184799497 666280956 /nfs/dbraw/zinc/28/09/56/666280956.db2.gz UIUCOYREBHVKRY-NSHDSACASA-N 1 0 309.366 0.914 50 0 DCAARO Cc1cccn(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1=O ZINC000186886571 666606945 /nfs/dbraw/zinc/60/69/45/666606945.db2.gz MTAURHUVVBDPQM-CQSZACIVSA-N 1 0 321.421 0.460 50 0 DCAARO CCOC(=O)[C@H]1CCCN(CC(=O)N[C@H](CCO)C(C)C)C1 ZINC000863948152 667197040 /nfs/dbraw/zinc/19/70/40/667197040.db2.gz MMHHEDXSLHXQRD-UONOGXRCSA-N 1 0 314.426 0.785 50 0 DCAARO C[C@@H](Cc1ccsc1)NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952966492 685598712 /nfs/dbraw/zinc/59/87/12/685598712.db2.gz KAUMLQQYSZSSOA-AAEUAGOBSA-N 1 0 309.435 0.993 50 0 DCAARO O=C(C[NH+]1CCCCCC1)NC[C@H]1CCCN(C(=O)CO)C1 ZINC000952981002 685600781 /nfs/dbraw/zinc/60/07/81/685600781.db2.gz YHYOGCFVRNPPEY-CQSZACIVSA-N 1 0 311.426 0.210 50 0 DCAARO O=C(C[NH+]1CCC(CNC(=O)[C@@H]2CCOC2)CC1)NC1CC1 ZINC000952981327 685601160 /nfs/dbraw/zinc/60/11/60/685601160.db2.gz VCSJUTQICVDUFA-CYBMUJFWSA-N 1 0 309.410 0.130 50 0 DCAARO CN(CC1(CO)CCC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000952981863 685601752 /nfs/dbraw/zinc/60/17/52/685601752.db2.gz WTDSUXAVSWORII-CYBMUJFWSA-N 1 0 311.426 0.018 50 0 DCAARO O=C(CCCCc1cccnc1)N1C[C@@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772709409 1157848396 /nfs/dbraw/zinc/84/83/96/1157848396.db2.gz POUSMWOGMVGURQ-RDJZCZTQSA-N 1 0 303.406 0.835 50 0 DCAARO Cc1cc(C(=O)N2CCC[N@H+](C[C@H](O)CO)CC2)ccc1F ZINC001772711599 1157849343 /nfs/dbraw/zinc/84/93/43/1157849343.db2.gz FFWAWYCGPPLTOB-AWEZNQCLSA-N 1 0 310.369 0.635 50 0 DCAARO O=C(c1[nH]nc2c1COCC2)N1CC[C@@]2(CO)CCC[NH2+][C@@H]2C1 ZINC001704300410 1179966944 /nfs/dbraw/zinc/96/69/44/1179966944.db2.gz VINBPUSJYPBKPM-CZUORRHYSA-N 1 0 320.393 0.059 50 0 DCAARO CCCn1cnnc1CNC(=O)C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000823031350 758219132 /nfs/dbraw/zinc/21/91/32/758219132.db2.gz WDVBTHDMXAJAQG-ZDUSSCGKSA-N 1 0 309.414 0.804 50 0 DCAARO CCS(=O)(=O)NC[C@@H](C)[NH+]1CCC2(CCC(=O)N2)CC1 ZINC000823412675 758246310 /nfs/dbraw/zinc/24/63/10/758246310.db2.gz CRUXUCCZEDVFKE-LLVKDONJSA-N 1 0 303.428 0.059 50 0 DCAARO C[NH+](C)C[C@H]1COCCN(C(=O)C2(Cn3ccnc3)CC2)C1 ZINC000823690062 758262353 /nfs/dbraw/zinc/26/23/53/758262353.db2.gz KMZPQKRTJQSUIS-CQSZACIVSA-N 1 0 306.410 0.700 50 0 DCAARO Cc1oncc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000585135196 766291739 /nfs/dbraw/zinc/29/17/39/766291739.db2.gz LLVAZBYCOLOIEM-UHFFFAOYSA-N 1 0 308.363 0.889 50 0 DCAARO C[C@H](OC[C@H]1CCCCO1)C(=O)N1CC[NH2+][C@@H](CCO)C1 ZINC000952884295 768952194 /nfs/dbraw/zinc/95/21/94/768952194.db2.gz ZHIFJNWABZJJGJ-MELADBBJSA-N 1 0 300.399 0.143 50 0 DCAARO Cn1ccnc1NC(=O)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC001529106600 1014495968 /nfs/dbraw/zinc/49/59/68/1014495968.db2.gz QDHUGQULYPQWFI-NSHDSACASA-N 1 0 303.370 0.796 50 0 DCAARO Cc1cc(C[C@@H]2C[N@H+](Cc3cnc(N(C)C)nc3)C[C@H]2O)[nH]n1 ZINC001529158609 1014508299 /nfs/dbraw/zinc/50/82/99/1014508299.db2.gz GFNLOJQJMOHOLR-UKRRQHHQSA-N 1 0 316.409 0.610 50 0 DCAARO CCCN1C(=O)N[C@@H](CC(=O)N2CCC[N@@H+](C(C)C)CC2)C1=O ZINC001506403569 1017255349 /nfs/dbraw/zinc/25/53/49/1017255349.db2.gz UKHYNRUHZCNHEV-ZDUSSCGKSA-N 1 0 324.425 0.650 50 0 DCAARO CC[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC[N@@H+]1C(C)C ZINC001506411818 1017261009 /nfs/dbraw/zinc/26/10/09/1017261009.db2.gz URWFSYUDYRQNJM-LBPRGKRZSA-N 1 0 305.444 0.386 50 0 DCAARO C[C@@H](CN(C)CCO)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001506414635 1017263673 /nfs/dbraw/zinc/26/36/73/1017263673.db2.gz HDLHJUBHHFYMFG-AWEZNQCLSA-N 1 0 312.458 0.569 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CC2(CCCC2)C1=O ZINC000095475558 185373166 /nfs/dbraw/zinc/37/31/66/185373166.db2.gz MIBSWAADOZIXOU-ZDUSSCGKSA-N 1 0 321.421 0.906 50 0 DCAARO Cc1nccn1CCN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000095499080 185374727 /nfs/dbraw/zinc/37/47/27/185374727.db2.gz PRSBMEIUXABRAF-CQSZACIVSA-N 1 0 321.425 0.060 50 0 DCAARO C[NH+](C)CCCC(=O)N1CCC(c2nccn2CC(N)=O)CC1 ZINC000095527716 185378275 /nfs/dbraw/zinc/37/82/75/185378275.db2.gz GYDAFONLNBICDK-UHFFFAOYSA-N 1 0 321.425 0.416 50 0 DCAARO COC(=O)c1cccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1 ZINC000170601729 197784661 /nfs/dbraw/zinc/78/46/61/197784661.db2.gz DCXBIERUVREFPN-INIZCTEOSA-N 1 0 308.378 0.906 50 0 DCAARO CC[C@H]1C[N@@H+](C(CO)CO)CCC(=O)N1Cc1ccccc1 ZINC000071746616 191019420 /nfs/dbraw/zinc/01/94/20/191019420.db2.gz WZXLIPXSUCLMLX-HNNXBMFYSA-N 1 0 306.406 0.853 50 0 DCAARO CO[C@H]1CN(C(=O)c2cc(C(C)C)n3ncnc3n2)CC[C@H]1[NH3+] ZINC000071760284 191026522 /nfs/dbraw/zinc/02/65/22/191026522.db2.gz XRPCIEQROPNOCA-MFKMUULPSA-N 1 0 318.381 0.436 50 0 DCAARO COCCC[N@@H+]1CC[C@@H](Cn2cnc3cn(C)nc3c2=O)C1 ZINC000072158061 191060733 /nfs/dbraw/zinc/06/07/33/191060733.db2.gz CWIRXWXRIZWRFC-GFCCVEGCSA-N 1 0 305.382 0.488 50 0 DCAARO Cn1ccnc1CN1CCN(Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072159138 191062413 /nfs/dbraw/zinc/06/24/13/191062413.db2.gz KMEIPCSKACOSJJ-UHFFFAOYSA-N 1 0 315.425 0.038 50 0 DCAARO CCn1nc(C)c(NC(=O)CN2CC[C@H](CO)[C@@H](O)C2)c1C ZINC000072168348 191067007 /nfs/dbraw/zinc/06/70/07/191067007.db2.gz LYSDZQZZZGZPBS-OLZOCXBDSA-N 1 0 310.398 0.133 50 0 DCAARO Cc1c(Cl)c(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)nn1C ZINC000072169438 191067744 /nfs/dbraw/zinc/06/77/44/191067744.db2.gz LTCYRJBXQDJJSJ-ZDUSSCGKSA-N 1 0 300.790 0.521 50 0 DCAARO Cc1ccn2c(=O)cc(C[N@@H+]3CC[C@H](CO)[C@@H](O)C3)nc2c1 ZINC000072169240 191068323 /nfs/dbraw/zinc/06/83/23/191068323.db2.gz XNSCDLRBDOSQDF-OCCSQVGLSA-N 1 0 303.362 0.178 50 0 DCAARO OC[C@H](O)CNc1nc(C2CCCC2)nc2c1CC[NH2+]CC2 ZINC000072421144 191157916 /nfs/dbraw/zinc/15/79/16/191157916.db2.gz XYKPGEAYVRMLOC-GFCCVEGCSA-N 1 0 306.410 0.588 50 0 DCAARO O=S(=O)(CCNC[C@]1(O)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000072426768 191161805 /nfs/dbraw/zinc/16/18/05/191161805.db2.gz NGRJSHGQZSUUBC-AWEZNQCLSA-N 1 0 316.398 0.304 50 0 DCAARO COCCn1cnnc1CCNc1ncnc2c1CC[NH2+]CC2 ZINC000072430207 191163706 /nfs/dbraw/zinc/16/37/06/191163706.db2.gz RUGKDDXIEWXGQO-UHFFFAOYSA-N 1 0 317.397 0.057 50 0 DCAARO Cc1nc(N(C)C)cc(NCCNC(=O)c2cnccn2)[nH+]1 ZINC000072437377 191166050 /nfs/dbraw/zinc/16/60/50/191166050.db2.gz NPPCHKGXAVJWND-UHFFFAOYSA-N 1 0 301.354 0.483 50 0 DCAARO [NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)c3cscn3)CC[C@H]21 ZINC000072438726 191167971 /nfs/dbraw/zinc/16/79/71/191167971.db2.gz WCGKYEZRLZQXRG-CMPLNLGQSA-N 1 0 308.407 0.555 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)o1 ZINC000076050719 191561545 /nfs/dbraw/zinc/56/15/45/191561545.db2.gz QCIIPCSPMUPLRS-VHSXEESVSA-N 1 0 315.395 0.210 50 0 DCAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005250968 181221584 /nfs/dbraw/zinc/22/15/84/181221584.db2.gz FSXATPLUROOKGE-UHFFFAOYSA-N 1 0 321.377 0.854 50 0 DCAARO Cc1cccc(CC(=O)N2CCOC[C@H]2C[N@H+](C)CCO)c1 ZINC000085470025 192510945 /nfs/dbraw/zinc/51/09/45/192510945.db2.gz BHJLJLRRTAOPGX-MRXNPFEDSA-N 1 0 306.406 0.689 50 0 DCAARO COCC[NH2+]CC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000237148658 202166642 /nfs/dbraw/zinc/16/66/42/202166642.db2.gz QCDOSVCVIOMDSG-SOUVJXGZSA-N 1 0 313.442 0.323 50 0 DCAARO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262638991 283332503 /nfs/dbraw/zinc/33/25/03/283332503.db2.gz YMMWTUOWGRKBIQ-YUELXQCFSA-N 1 0 301.390 0.943 50 0 DCAARO Cc1ncn(CCNC(=O)CC[NH+]2CCC(C(N)=O)CC2)c1C ZINC000426666938 240354375 /nfs/dbraw/zinc/35/43/75/240354375.db2.gz DPGZWDJAJSIHPD-UHFFFAOYSA-N 1 0 321.425 0.204 50 0 DCAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000063194027 296023990 /nfs/dbraw/zinc/02/39/90/296023990.db2.gz OBXRXRYZEQJKMO-MFKMUULPSA-N 1 0 311.407 0.676 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cnccc2C)C[C@@H]1CO ZINC000091426554 193054144 /nfs/dbraw/zinc/05/41/44/193054144.db2.gz WNDVXLULCMOFGQ-HUUCEWRRSA-N 1 0 321.421 0.649 50 0 DCAARO NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1cccnc1)CC2 ZINC000091550727 193072340 /nfs/dbraw/zinc/07/23/40/193072340.db2.gz BTEIICUPIONRSZ-UHFFFAOYSA-N 1 0 316.405 0.772 50 0 DCAARO Cc1cnc(N)nc1NCC[C@@H]1CCC(=O)N1CC[NH+](C)C ZINC000091562857 193073683 /nfs/dbraw/zinc/07/36/83/193073683.db2.gz IXTIZPTUZUUAEQ-LBPRGKRZSA-N 1 0 306.414 0.722 50 0 DCAARO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c(O)c1 ZINC000091643356 193084351 /nfs/dbraw/zinc/08/43/51/193084351.db2.gz BXYLEZYGDXDOIG-ZIAGYGMSSA-N 1 0 322.405 0.305 50 0 DCAARO CCC[C@H]1C[N@H+](CCCn2cccn2)C[C@@H]1NS(C)(=O)=O ZINC000091746633 193101725 /nfs/dbraw/zinc/10/17/25/193101725.db2.gz JVSHTRYIEGIYEI-KBPBESRZSA-N 1 0 314.455 0.923 50 0 DCAARO COc1ccc([C@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2[NH3+])cc1 ZINC000091636825 193082231 /nfs/dbraw/zinc/08/22/31/193082231.db2.gz DPSOVKAJYMJSAM-KGLIPLIRSA-N 1 0 316.365 0.025 50 0 DCAARO COc1ccccc1OC1CN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000091873334 193120982 /nfs/dbraw/zinc/12/09/82/193120982.db2.gz SZYMCKKDDSPLSI-LBPRGKRZSA-N 1 0 306.362 0.663 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000251782851 202828396 /nfs/dbraw/zinc/82/83/96/202828396.db2.gz WGONFVDGUQRUIU-QNWHQSFQSA-N 1 0 305.444 0.448 50 0 DCAARO COc1cccc(OCCOC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000022466227 182323069 /nfs/dbraw/zinc/32/30/69/182323069.db2.gz VHZGCYXOTSJNQD-OAHLLOKOSA-N 1 0 324.421 0.699 50 0 DCAARO C[NH+]1CCN([C@H](CNS(C)(=O)=O)c2ccc(F)cc2)CC1 ZINC000022783073 182334159 /nfs/dbraw/zinc/33/41/59/182334159.db2.gz AMYSEPLEGMNFQY-CQSZACIVSA-N 1 0 315.414 0.663 50 0 DCAARO Cc1ccc(COC[C@H](O)C[NH+]2CCN(CCO)CC2)cc1 ZINC000023114602 182348816 /nfs/dbraw/zinc/34/88/16/182348816.db2.gz USDSKQBCDYCXJP-QGZVFWFLSA-N 1 0 308.422 0.482 50 0 DCAARO Cc1cc(C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)nc(C)n1 ZINC000067654142 291704007 /nfs/dbraw/zinc/70/40/07/291704007.db2.gz UGDNRLJTNABDNX-UHFFFAOYSA-N 1 0 317.437 0.945 50 0 DCAARO COc1cc(CN2CC[N@H+](C)[C@H](CCO)C2)cc2c1OCO2 ZINC000104473500 194010242 /nfs/dbraw/zinc/01/02/42/194010242.db2.gz GHBGZRJWJLFJQL-CYBMUJFWSA-N 1 0 308.378 0.922 50 0 DCAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1CCN(C(=O)C2CC2)CC1 ZINC000058160896 184082046 /nfs/dbraw/zinc/08/20/46/184082046.db2.gz YQOJRBMWQKNUQN-CQSZACIVSA-N 1 0 305.422 0.988 50 0 DCAARO Cn1c(=O)c(C(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)cc2c1CCCC2 ZINC000065436155 184344705 /nfs/dbraw/zinc/34/47/05/184344705.db2.gz XEVPDTUMMWELOR-OLZOCXBDSA-N 1 0 319.405 0.059 50 0 DCAARO CC[N@H+](C)CCNC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000065444130 184346377 /nfs/dbraw/zinc/34/63/77/184346377.db2.gz NLXUEDBWRFAKTE-UHFFFAOYSA-N 1 0 310.442 0.982 50 0 DCAARO C[NH+](C)Cc1ccccc1C(=O)N1CCN2CCNC(=O)[C@H]2C1 ZINC000065470140 184350788 /nfs/dbraw/zinc/35/07/88/184350788.db2.gz HDCFUMSQIYGTGP-OAHLLOKOSA-N 1 0 316.405 0.004 50 0 DCAARO Cc1nc2c(c(NCCSc3nncn3C)n1)CC[NH2+]CC2 ZINC000065397080 184336197 /nfs/dbraw/zinc/33/61/97/184336197.db2.gz DFEBIOAOYWNHMX-UHFFFAOYSA-N 1 0 319.438 0.806 50 0 DCAARO Cc1cn(CCNc2nc(C)nc3c2CC[N@H+](C)CC3)nn1 ZINC000065525591 184359661 /nfs/dbraw/zinc/35/96/61/184359661.db2.gz KWLFQRXZRLEETF-UHFFFAOYSA-N 1 0 301.398 0.827 50 0 DCAARO NC(=O)C1CC[NH+](CCCNC(=O)c2ccc(=O)[nH]c2)CC1 ZINC000065611010 184372966 /nfs/dbraw/zinc/37/29/66/184372966.db2.gz UYIQOQWKPCMMOC-UHFFFAOYSA-N 1 0 306.366 0.104 50 0 DCAARO COc1ccc(CCNC(=[NH2+])NCCN2CCOCC2)cc1 ZINC000066244952 184398237 /nfs/dbraw/zinc/39/82/37/184398237.db2.gz VTDSBDNBRDAAAN-UHFFFAOYSA-N 1 0 306.410 0.684 50 0 DCAARO CCN(CCC[NH2+]C[C@@H]1CNc2ccnn2C1)S(C)(=O)=O ZINC000058307322 256538677 /nfs/dbraw/zinc/53/86/77/256538677.db2.gz FNOSKSBTITUDFO-GFCCVEGCSA-N 1 0 315.443 0.186 50 0 DCAARO CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246486280 256607783 /nfs/dbraw/zinc/60/77/83/256607783.db2.gz DNNPNMJYUWLACF-LOWDOPEQSA-N 1 0 302.440 0.847 50 0 DCAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCOc1cccc(C(N)=O)c1 ZINC000237489640 257238797 /nfs/dbraw/zinc/23/87/97/257238797.db2.gz JZICMTAEMMKZQS-AAEUAGOBSA-N 1 0 305.378 0.893 50 0 DCAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)NCCn1cnnc1 ZINC000426674036 257244153 /nfs/dbraw/zinc/24/41/53/257244153.db2.gz AQNBTQMIEIHDSY-UHFFFAOYSA-N 1 0 309.757 0.699 50 0 DCAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCCc1c[nH]cn1 ZINC000426429860 257250513 /nfs/dbraw/zinc/25/05/13/257250513.db2.gz UGYPSDMXVSBQPJ-GFCCVEGCSA-N 1 0 302.382 0.432 50 0 DCAARO C[NH+](C)CCN1CCC(NC(=O)c2cccn3cnnc23)CC1 ZINC000426434819 257250565 /nfs/dbraw/zinc/25/05/65/257250565.db2.gz HPGWDQXDCPEFAH-UHFFFAOYSA-N 1 0 316.409 0.485 50 0 DCAARO COCC[N@@H+]1CCC[C@H](CN(C)C(=O)NCc2nccn2C)C1 ZINC000426420266 257251256 /nfs/dbraw/zinc/25/12/56/257251256.db2.gz TUUWYHZSJGGAGN-CQSZACIVSA-N 1 0 323.441 0.920 50 0 DCAARO Cc1ccn2c(nnc2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000426406320 257251544 /nfs/dbraw/zinc/25/15/44/257251544.db2.gz QMPRHSXRYQDZBF-NSHDSACASA-N 1 0 300.366 0.647 50 0 DCAARO COc1ncc(C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)cn1 ZINC000426379960 257252715 /nfs/dbraw/zinc/25/27/15/257252715.db2.gz VZYSDYDTAZPPTB-UHFFFAOYSA-N 1 0 319.409 0.337 50 0 DCAARO Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C(N)=O ZINC000257365402 257257016 /nfs/dbraw/zinc/25/70/16/257257016.db2.gz AZUKEQATOMKEIY-LBPRGKRZSA-N 1 0 323.418 0.563 50 0 DCAARO COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000071859692 184872386 /nfs/dbraw/zinc/87/23/86/184872386.db2.gz IQVMJDSZVDMASS-KBPBESRZSA-N 1 0 321.425 0.576 50 0 DCAARO COc1ccc(OC)c([C@H](O)CN2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000071877155 184882584 /nfs/dbraw/zinc/88/25/84/184882584.db2.gz ZYSORTXSVMNVFV-CZUORRHYSA-N 1 0 324.421 0.736 50 0 DCAARO CN1CCC[C@](O)(C[NH2+]CCCn2ncc3ccccc32)C1=O ZINC000014969699 395689804 /nfs/dbraw/zinc/68/98/04/395689804.db2.gz UXNJDRDSNBWNCD-KRWDZBQOSA-N 1 0 316.405 0.999 50 0 DCAARO CC[NH+](CC)CCNC(=O)c1cnc(N2CCOCC2)nc1C ZINC000021638645 395691550 /nfs/dbraw/zinc/69/15/50/395691550.db2.gz UYUITCFLLHFMQQ-UHFFFAOYSA-N 1 0 321.425 0.693 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000089374693 395710552 /nfs/dbraw/zinc/71/05/52/395710552.db2.gz NZWVMZIJIMOMJE-UHFFFAOYSA-N 1 0 310.398 0.069 50 0 DCAARO c1ncn(CC[N@@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC000089835005 395715940 /nfs/dbraw/zinc/71/59/40/395715940.db2.gz UWYDCLQLZWCBLW-DLBZAZTESA-N 1 0 313.405 0.863 50 0 DCAARO OCCN1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000033526511 395717221 /nfs/dbraw/zinc/71/72/21/395717221.db2.gz PVCYEHFLYKIVMI-HNNXBMFYSA-N 1 0 312.385 0.313 50 0 DCAARO Cn1c(N)c(C(=O)C[N@H+](C)CC2CCCCC2)c(=O)n(C)c1=O ZINC000029455059 395698074 /nfs/dbraw/zinc/69/80/74/395698074.db2.gz RHLRBHHHQAFIRG-UHFFFAOYSA-N 1 0 322.409 0.361 50 0 DCAARO CC[NH+]1CCC(NC(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000029607865 395698953 /nfs/dbraw/zinc/69/89/53/395698953.db2.gz CBKACMROBUDRAI-UHFFFAOYSA-N 1 0 315.377 0.392 50 0 DCAARO NC(=O)CC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000040513780 395734104 /nfs/dbraw/zinc/73/41/04/395734104.db2.gz YCIKKEFICRCDOB-UHFFFAOYSA-N 1 0 313.199 0.842 50 0 DCAARO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000096441627 395753516 /nfs/dbraw/zinc/75/35/16/395753516.db2.gz QXMXDBMDKABSFP-JTQLQIEISA-N 1 0 305.304 0.669 50 0 DCAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2C[C@@H](O)CN2CCOCC2)n1 ZINC000106869190 395784317 /nfs/dbraw/zinc/78/43/17/395784317.db2.gz GTBRSHRDAPJTIE-SJORKVTESA-N 1 0 322.453 0.657 50 0 DCAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000106908518 395784381 /nfs/dbraw/zinc/78/43/81/395784381.db2.gz JLIDIHWWLSPUQU-JKSUJKDBSA-N 1 0 322.453 0.867 50 0 DCAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cn1cccnc1=O ZINC000097730246 395760552 /nfs/dbraw/zinc/76/05/52/395760552.db2.gz OYPCZNRVWZCKDY-UHFFFAOYSA-N 1 0 314.389 0.834 50 0 DCAARO CCCC[C@@H]([NH3+])C(=O)N1CCC(n2cc(CCCO)nn2)CC1 ZINC000048488501 395816399 /nfs/dbraw/zinc/81/63/99/395816399.db2.gz VBWBNHPGARNRCS-OAHLLOKOSA-N 1 0 323.441 0.884 50 0 DCAARO NC(=O)c1csc(N2CCN(Cc3ccoc3)C[C@H](O)C2)n1 ZINC000225340150 395859360 /nfs/dbraw/zinc/85/93/60/395859360.db2.gz CNNPGOJWJMKKIJ-NSHDSACASA-N 1 0 322.390 0.518 50 0 DCAARO Cc1nc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)cn1C ZINC000195574157 395832360 /nfs/dbraw/zinc/83/23/60/395832360.db2.gz ZTJJNLHMDUHUIO-GFCCVEGCSA-N 1 0 302.444 0.983 50 0 DCAARO Nc1cc(N2CC[N@H+](CC3CCC3)C[C@@H](C(=O)[O-])C2)ncn1 ZINC000217930161 395840842 /nfs/dbraw/zinc/84/08/42/395840842.db2.gz PQMRMTBYPWURHM-GFCCVEGCSA-N 1 0 305.382 0.682 50 0 DCAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccc2nccn2c1 ZINC000219318486 395845690 /nfs/dbraw/zinc/84/56/90/395845690.db2.gz OXJWJQQIIYVCDB-FAAHXZRKSA-N 1 0 300.362 0.782 50 0 DCAARO Cc1cc(C)n(CCCN(C)C(=O)CC[NH+]2CCN(C)CC2)n1 ZINC000220327913 395847800 /nfs/dbraw/zinc/84/78/00/395847800.db2.gz PWEOKXLHGXOKSW-UHFFFAOYSA-N 1 0 321.469 0.986 50 0 DCAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2cn3cccnc3n2)C[C@H](C)O1 ZINC000051353150 395849917 /nfs/dbraw/zinc/84/99/17/395849917.db2.gz HHEDQUASBHCXBB-BETUJISGSA-N 1 0 317.393 0.958 50 0 DCAARO Cn1ccc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1=O ZINC000051734931 395854166 /nfs/dbraw/zinc/85/41/66/395854166.db2.gz RPOAGNZAPDOSQR-ZDUSSCGKSA-N 1 0 313.423 0.289 50 0 DCAARO COCc1nc(C2CC([NH3+])C2)cc(N2CCC(=O)N(C)CC2)n1 ZINC000223836631 395856782 /nfs/dbraw/zinc/85/67/82/395856782.db2.gz LQRFPPUWYKZQPM-UHFFFAOYSA-N 1 0 319.409 0.496 50 0 DCAARO COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC[NH+]1CCCCCCC1 ZINC000055061073 395910752 /nfs/dbraw/zinc/91/07/52/395910752.db2.gz BEQDACZXQAKVSV-KGLIPLIRSA-N 1 0 312.410 0.777 50 0 DCAARO NC(=O)c1ccc(NC(=O)CCN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000244796110 395925200 /nfs/dbraw/zinc/92/52/00/395925200.db2.gz RTBXWSATLAOTMD-HNNXBMFYSA-N 1 0 316.405 0.894 50 0 DCAARO COc1nccnc1O[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](C)C2)C1 ZINC000225806647 395863748 /nfs/dbraw/zinc/86/37/48/395863748.db2.gz JGHVOQVRXWSVPS-STQMWFEESA-N 1 0 320.393 0.807 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2C)CC1 ZINC000229306879 395874276 /nfs/dbraw/zinc/87/42/76/395874276.db2.gz BFMDOGMBRFWSQA-GOEBONIOSA-N 1 0 322.453 0.093 50 0 DCAARO Cc1cc([C@@H]2CCC[N@H+](C[C@@H](O)CN3CCCC3=O)C2)[nH]n1 ZINC000229923889 395876758 /nfs/dbraw/zinc/87/67/58/395876758.db2.gz HNNWLJWUGUWMPC-ZIAGYGMSSA-N 1 0 306.410 0.881 50 0 DCAARO CC[N@@H+]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CCOCC(F)F ZINC000252510193 396022340 /nfs/dbraw/zinc/02/23/40/396022340.db2.gz ZDIYFXSVQWQYBN-VXGBXAGGSA-N 1 0 306.353 0.980 50 0 DCAARO NC(=O)C1(C(=O)NCC[C@H]2C[N@@H+](C3CCCCC3)CCO2)CC1 ZINC000067446612 396026104 /nfs/dbraw/zinc/02/61/04/396026104.db2.gz RIHPTBVTGCDRRL-AWEZNQCLSA-N 1 0 323.437 0.792 50 0 DCAARO CCOC(=O)c1cc(CN2CC[N@H+](CCO)[C@H](C)C2)[nH]c1C ZINC000253431876 396028532 /nfs/dbraw/zinc/02/85/32/396028532.db2.gz UZXLGXVUBRIDAV-GFCCVEGCSA-N 1 0 309.410 0.998 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccccc1O ZINC000067690692 396030982 /nfs/dbraw/zinc/03/09/82/396030982.db2.gz LDPRWMSPZQQJAE-STQMWFEESA-N 1 0 305.378 0.388 50 0 DCAARO CCn1c(=O)n(Cc2cc(OC)ccn2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067771357 396033517 /nfs/dbraw/zinc/03/35/17/396033517.db2.gz PBJUUSIDYPFDHN-GFCCVEGCSA-N 1 0 317.393 0.984 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cccc(O)c1 ZINC000067821578 396034678 /nfs/dbraw/zinc/03/46/78/396034678.db2.gz DUVXQQUUTKNDRY-HIFRSBDPSA-N 1 0 319.405 0.731 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)c(OC)c(F)c1 ZINC000067847608 396036000 /nfs/dbraw/zinc/03/60/00/396036000.db2.gz LABNBJRWPCAWHO-KWQFWETISA-N 1 0 313.304 0.261 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2n[nH]nc2c1 ZINC000067871460 396037488 /nfs/dbraw/zinc/03/74/88/396037488.db2.gz OJWAUEUKRTZCQP-MFKMUULPSA-N 1 0 316.365 0.024 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000067947229 396039955 /nfs/dbraw/zinc/03/99/55/396039955.db2.gz MRPWCLOYJJGZFF-ZFWWWQNUSA-N 1 0 312.373 0.765 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccccc1OCCO ZINC000067983466 396041325 /nfs/dbraw/zinc/04/13/25/396041325.db2.gz NGYVEWZCGOWBTG-GJZGRUSLSA-N 1 0 321.421 0.484 50 0 DCAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N1CCOC[C@@H]1C ZINC000257365577 396046784 /nfs/dbraw/zinc/04/67/84/396046784.db2.gz SZZASPHXKVHGJS-MJBXVCDLSA-N 1 0 317.455 0.511 50 0 DCAARO CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157925209 396064038 /nfs/dbraw/zinc/06/40/38/396064038.db2.gz NVNFWRXKMCCJAV-UONOGXRCSA-N 1 0 310.419 0.592 50 0 DCAARO CCCC[C@@H]([NH3+])C(=O)N1CCN(c2ccnc3nncn32)CC1 ZINC000252482856 396020256 /nfs/dbraw/zinc/02/02/56/396020256.db2.gz DPFNNGDXOAIJMR-GFCCVEGCSA-N 1 0 317.397 0.290 50 0 DCAARO COCCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069719811 396088552 /nfs/dbraw/zinc/08/85/52/396088552.db2.gz DEDZZBJGSKGAGP-INIZCTEOSA-N 1 0 320.437 0.921 50 0 DCAARO CC(C)c1cc(NC(=O)C[NH2+][C@H]2CCc3ncnn3C2)on1 ZINC000069740429 396088738 /nfs/dbraw/zinc/08/87/38/396088738.db2.gz OSHKSQVQRYCCCW-JTQLQIEISA-N 1 0 304.354 0.933 50 0 DCAARO CNC(=O)C1(C(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)CC1 ZINC000069771608 396089761 /nfs/dbraw/zinc/08/97/61/396089761.db2.gz RLVOXBDHMGWVET-LBPRGKRZSA-N 1 0 311.426 0.064 50 0 DCAARO COCCN1C(=O)[C@H]2C[N@H+](Cc3scnc3C)C[C@H]2C1=O ZINC000169751564 396091010 /nfs/dbraw/zinc/09/10/10/396091010.db2.gz YPEGSRWBQXTADC-PHIMTYICSA-N 1 0 309.391 0.515 50 0 DCAARO COc1cc(OC)cc(C(=O)N[C@@H]2CN(C)C[C@H]2C[NH+](C)C)c1 ZINC000169790638 396093535 /nfs/dbraw/zinc/09/35/35/396093535.db2.gz XYIZNBQBQXIAAL-CZUORRHYSA-N 1 0 321.421 0.925 50 0 DCAARO CC(C)[NH+]1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000071800819 396115253 /nfs/dbraw/zinc/11/52/53/396115253.db2.gz WGHJDQZHRYHTKK-UHFFFAOYSA-N 1 0 314.389 0.949 50 0 DCAARO O=C(c1cccnc1-n1cncn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839837 396118522 /nfs/dbraw/zinc/11/85/22/396118522.db2.gz OACCJNZAIASKAP-ZDUSSCGKSA-N 1 0 312.377 0.973 50 0 DCAARO C[NH+](C)C[C@@H]1CN(Cc2cccc(OCC(N)=O)c2)CCO1 ZINC000071878826 396121356 /nfs/dbraw/zinc/12/13/56/396121356.db2.gz QSLASNCTXQMVIP-OAHLLOKOSA-N 1 0 307.394 0.313 50 0 DCAARO Cc1cnn(C[C@H]2CCC[N@H+]2[C@@H](C)C(=O)N2CCOCC2)c1 ZINC000071875781 396121456 /nfs/dbraw/zinc/12/14/56/396121456.db2.gz ZSLQSKYYBBSIEQ-LSDHHAIUSA-N 1 0 306.410 0.903 50 0 DCAARO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nn1cnc2ccccc21 ZINC000071882586 396123819 /nfs/dbraw/zinc/12/38/19/396123819.db2.gz GUDSQVQVRYVEJD-ZDUSSCGKSA-N 1 0 316.409 0.925 50 0 DCAARO C[C@H](CNc1cncc(-n2cccn2)n1)N1CC[NH+](C)CC1 ZINC000071899576 396124317 /nfs/dbraw/zinc/12/43/17/396124317.db2.gz YYXCXCHTDSZKKR-CYBMUJFWSA-N 1 0 301.398 0.710 50 0 DCAARO Cc1cnn(CC[NH2+]CC(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000072253086 396127447 /nfs/dbraw/zinc/12/74/47/396127447.db2.gz QYWXLURCCHTTET-UHFFFAOYSA-N 1 0 323.441 0.008 50 0 DCAARO C[C@@]1([C@H]2CCC[N@H+](CC(=O)NCC3CCC3)C2)NC(=O)NC1=O ZINC000072300682 396130613 /nfs/dbraw/zinc/13/06/13/396130613.db2.gz MOFZTVBUWLTVPQ-LRDDRELGSA-N 1 0 322.409 0.213 50 0 DCAARO C[C@H](Cn1cccn1)[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000069372474 396076816 /nfs/dbraw/zinc/07/68/16/396076816.db2.gz LCPGHQLVVCNMKK-CYBMUJFWSA-N 1 0 302.382 0.688 50 0 DCAARO CC[N@H+](CCNC(=O)Cn1c2ccccc2n(C)c1=O)C1CC1 ZINC000069530359 396082138 /nfs/dbraw/zinc/08/21/38/396082138.db2.gz YSNPRRCYBUOFDL-UHFFFAOYSA-N 1 0 316.405 0.941 50 0 DCAARO CN(C)S(=O)(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC000069631221 396085619 /nfs/dbraw/zinc/08/56/19/396085619.db2.gz GKJSCDGZZOXBSN-UHFFFAOYSA-N 1 0 312.439 0.334 50 0 DCAARO NS(=O)(=O)Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1 ZINC000262587857 396159078 /nfs/dbraw/zinc/15/90/78/396159078.db2.gz XDEGPZRLGPHVCA-UHFFFAOYSA-N 1 0 311.407 0.476 50 0 DCAARO C[C@H](C(=O)N1CCOCC1)[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075603991 396182753 /nfs/dbraw/zinc/18/27/53/396182753.db2.gz RXWYFRSUCYJHQD-CYBMUJFWSA-N 1 0 324.425 0.066 50 0 DCAARO O=C(CCN1CCCC1=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000078789258 396254265 /nfs/dbraw/zinc/25/42/65/396254265.db2.gz WEFYPMTXTBGCNQ-KBPBESRZSA-N 1 0 309.410 0.057 50 0 DCAARO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000078803019 396254817 /nfs/dbraw/zinc/25/48/17/396254817.db2.gz BQCJWKCOLZDTKG-ZIAGYGMSSA-N 1 0 316.467 0.812 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]2C)CC1 ZINC000078896104 396256777 /nfs/dbraw/zinc/25/67/77/396256777.db2.gz WSCYAPICZQFELD-BBRMVZONSA-N 1 0 322.453 0.092 50 0 DCAARO O[C@@]1(C[NH+]2CCC(CCn3cccn3)CC2)CNCCOC1 ZINC000077375900 396220366 /nfs/dbraw/zinc/22/03/66/396220366.db2.gz SQADHCZCRFJWGL-MRXNPFEDSA-N 1 0 308.426 0.336 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000179123630 396221869 /nfs/dbraw/zinc/22/18/69/396221869.db2.gz MRVHTZAPQOLISL-NSHDSACASA-N 1 0 316.361 0.172 50 0 DCAARO O[C@@]1(CNCc2csc(N3CCCC3)n2)C[NH2+]CCOC1 ZINC000077427812 396222413 /nfs/dbraw/zinc/22/24/13/396222413.db2.gz FBZSNGXIAHUGAY-CQSZACIVSA-N 1 0 312.439 0.184 50 0 DCAARO O=C(CC[N@H+]1CCOC[C@H](CO)C1)N1CCc2ccccc2C1 ZINC000077470249 396222676 /nfs/dbraw/zinc/22/26/76/396222676.db2.gz IRPIDTBMVPNXNV-HNNXBMFYSA-N 1 0 318.417 0.902 50 0 DCAARO Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)C[NH3+])CC1 ZINC000077539515 396225474 /nfs/dbraw/zinc/22/54/74/396225474.db2.gz OAQPWDOOPHGWHA-UHFFFAOYSA-N 1 0 320.441 0.466 50 0 DCAARO Cn1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000077672104 396228535 /nfs/dbraw/zinc/22/85/35/396228535.db2.gz NWLDEXCIRCJXKG-ZDUSSCGKSA-N 1 0 307.398 0.996 50 0 DCAARO C[C@@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC[NH2+]1 ZINC000188465555 396382472 /nfs/dbraw/zinc/38/24/72/396382472.db2.gz ALGWIMZPEISZHY-LLVKDONJSA-N 1 0 308.382 0.061 50 0 DCAARO CN1CC[NH+](CCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000584884371 396631470 /nfs/dbraw/zinc/63/14/70/396631470.db2.gz SYZXLEURFSOEBI-RDJZCZTQSA-N 1 0 309.454 0.778 50 0 DCAARO Cn1cnnc1CCC(=O)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000584891252 396634144 /nfs/dbraw/zinc/63/41/44/396634144.db2.gz BHPUGINBFBWMGJ-CQSZACIVSA-N 1 0 321.425 0.053 50 0 DCAARO CCCCNC(=O)[C@@H](C)N1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000585140771 396641429 /nfs/dbraw/zinc/64/14/29/396641429.db2.gz JJPWTNSGDLSSHQ-GHMZBOCLSA-N 1 0 308.382 0.982 50 0 DCAARO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000370211024 159503882 /nfs/dbraw/zinc/50/38/82/159503882.db2.gz AWJIIONDWCWIPA-RYUDHWBXSA-N 1 0 320.459 0.179 50 0 DCAARO Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000408473631 160116243 /nfs/dbraw/zinc/11/62/43/160116243.db2.gz DZHZFRDIQFEIFX-IUODEOHRSA-N 1 0 320.437 0.964 50 0 DCAARO C[C@@H]1CN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)C[C@@H](C)[NH2+]1 ZINC000255570086 287125543 /nfs/dbraw/zinc/12/55/43/287125543.db2.gz ZUSBNOLOJANKGA-UYMHTNOESA-N 1 0 317.389 0.773 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000044344547 415219438 /nfs/dbraw/zinc/21/94/38/415219438.db2.gz VEKMBMPOUMPJTB-OLZOCXBDSA-N 1 0 317.455 0.259 50 0 DCAARO C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000048272796 415288061 /nfs/dbraw/zinc/28/80/61/415288061.db2.gz FVALRCGTESVBJH-NSHDSACASA-N 1 0 320.459 0.050 50 0 DCAARO Cc1nn2c(nccc2[C@@H]2C[NH2+]CCO2)c1CN1CCOCC1 ZINC000072343669 415413455 /nfs/dbraw/zinc/41/34/55/415413455.db2.gz YHGGLGJUUWQINC-HNNXBMFYSA-N 1 0 317.393 0.531 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(OC)c1O ZINC000067850242 415390384 /nfs/dbraw/zinc/39/03/84/415390384.db2.gz UTDIXZQUFNMEOJ-KOLCDFICSA-N 1 0 307.350 0.079 50 0 DCAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@H](O)C1 ZINC000084549613 415497955 /nfs/dbraw/zinc/49/79/55/415497955.db2.gz SQMVFTNCFQFNLG-INIZCTEOSA-N 1 0 303.406 0.792 50 0 DCAARO CC[N@H+](CCNC(=O)N1CCN(c2cnn(C)c2)CC1)C1CC1 ZINC000074872290 415432876 /nfs/dbraw/zinc/43/28/76/415432876.db2.gz CBYHKETUZGTPER-UHFFFAOYSA-N 1 0 320.441 0.736 50 0 DCAARO O=C(NCCc1c[nH]cn1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095367321 415552064 /nfs/dbraw/zinc/55/20/64/415552064.db2.gz PVSUKJDJQZILIK-ZDUSSCGKSA-N 1 0 306.410 0.959 50 0 DCAARO Cc1cccc2c(=O)n(CC(=O)NC[C@@H]3CCC[N@H+]3C)cnc12 ZINC000095955527 415563015 /nfs/dbraw/zinc/56/30/15/415563015.db2.gz OQIQIVNTVQFURW-ZDUSSCGKSA-N 1 0 314.389 0.915 50 0 DCAARO Cc1ccc(CN(C)C(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)o1 ZINC000106869311 415651109 /nfs/dbraw/zinc/65/11/09/415651109.db2.gz ZGCXNPHCLQVQAT-UONOGXRCSA-N 1 0 323.437 0.933 50 0 DCAARO CC(C)CS(=O)(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000096428371 415582232 /nfs/dbraw/zinc/58/22/32/415582232.db2.gz MQSMWCXAVMYATD-AWEZNQCLSA-N 1 0 305.488 0.834 50 0 DCAARO CN(C)C(=O)N1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000096483422 415582731 /nfs/dbraw/zinc/58/27/31/415582731.db2.gz HHACGXZYNBMEJK-UHFFFAOYSA-N 1 0 301.350 0.774 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)c2nncn2C)C1 ZINC000107574747 415668358 /nfs/dbraw/zinc/66/83/58/415668358.db2.gz HTUXAQYNYFABCB-CHWSQXEVSA-N 1 0 324.429 0.532 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2cccnc2)CC[N@@H+]1C[C@H](C)O ZINC000106906963 415651938 /nfs/dbraw/zinc/65/19/38/415651938.db2.gz WDKJUTQEDDIQNB-ZFWWWQNUSA-N 1 0 306.410 0.797 50 0 DCAARO Cc1noc([C@H]2CCN(C(=O)CC[NH+]3CCN(C)CC3)C2)n1 ZINC000299781978 416068248 /nfs/dbraw/zinc/06/82/48/416068248.db2.gz WZFMBXFKDJZUGV-ZDUSSCGKSA-N 1 0 307.398 0.331 50 0 DCAARO O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1C[NH2+]CCO1 ZINC000187726049 416262371 /nfs/dbraw/zinc/26/23/71/416262371.db2.gz UHZWQLMZJSWGSV-WCQYABFASA-N 1 0 323.780 0.550 50 0 DCAARO CC1(C)CN(S(=O)(=O)c2cn3c(n2)CCCC3)CC[C@@H]1[NH3+] ZINC000225428582 416327734 /nfs/dbraw/zinc/32/77/34/416327734.db2.gz IZGLNJZSZCOIPT-NSHDSACASA-N 1 0 312.439 0.967 50 0 DCAARO CCCc1cc(CN(C)C(=O)CN2CC[C@@H]([NH+](C)C)C2)[nH]n1 ZINC000244678987 416330754 /nfs/dbraw/zinc/33/07/54/416330754.db2.gz INLQFLYJGCTGBJ-OAHLLOKOSA-N 1 0 307.442 0.957 50 0 DCAARO Cc1onc(N)c1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420425516 416418501 /nfs/dbraw/zinc/41/85/01/416418501.db2.gz IYYXNNWEMKWYDL-UHFFFAOYSA-N 1 0 308.363 0.647 50 0 DCAARO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000333370957 278220482 /nfs/dbraw/zinc/22/04/82/278220482.db2.gz MJQYKLKNKYTUDY-DZGCQCFKSA-N 1 0 322.453 0.187 50 0 DCAARO CC1CCC(O)(C[NH+]2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000089991843 278525671 /nfs/dbraw/zinc/52/56/71/278525671.db2.gz RDRWZDMLIWAINH-UHFFFAOYSA-N 1 0 304.456 0.928 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC000240894801 279745901 /nfs/dbraw/zinc/74/59/01/279745901.db2.gz IPZPTBIRFXYAGV-UPJWGTAASA-N 1 0 317.455 0.255 50 0 DCAARO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Cn1cnnn1 ZINC000066946267 289136305 /nfs/dbraw/zinc/13/63/05/289136305.db2.gz JMSHKMGIYJNREY-UHFFFAOYSA-N 1 0 316.409 0.696 50 0 DCAARO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000089448676 332069269 /nfs/dbraw/zinc/06/92/69/332069269.db2.gz 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ZINC000181228196 665508387 /nfs/dbraw/zinc/50/83/87/665508387.db2.gz JMSRLGSBHUGQRB-ZDUSSCGKSA-N 1 0 317.393 0.545 50 0 DCAARO Cc1nccn1CCNC(=O)N1CCOC[C@@H](C[NH+](C)C)C1 ZINC000426382808 661560688 /nfs/dbraw/zinc/56/06/88/661560688.db2.gz SDIYFKFKWZMHOC-AWEZNQCLSA-N 1 0 309.414 0.411 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ncc[nH]3)C2)CC1 ZINC000426488005 661606091 /nfs/dbraw/zinc/60/60/91/661606091.db2.gz MMDHDSRMJHNLNH-CQSZACIVSA-N 1 0 319.453 0.875 50 0 DCAARO Cn1cnc(C(=O)N2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)c1 ZINC000299760523 662675429 /nfs/dbraw/zinc/67/54/29/662675429.db2.gz VLQGIWBTVIZDSD-ZDUSSCGKSA-N 1 0 306.410 0.729 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000952964983 685597960 /nfs/dbraw/zinc/59/79/60/685597960.db2.gz DZNYUDQFPRZZRQ-GXTWGEPZSA-N 1 0 323.368 0.173 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCC3(CCCO3)CC2)C1 ZINC000952967861 685598842 /nfs/dbraw/zinc/59/88/42/685598842.db2.gz MLZRNYQLMCAIOD-ZDUSSCGKSA-N 1 0 309.410 0.355 50 0 DCAARO COc1cccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](C)C(=O)N3C2)c1 ZINC000014754829 685049239 /nfs/dbraw/zinc/04/92/39/685049239.db2.gz PWCABVDIPPOUJI-JKOKRWQUSA-N 1 0 303.362 0.273 50 0 DCAARO Nc1n[nH]c(CC(=O)N2CCC[N@H+](Cc3cccs3)CC2)n1 ZINC000019839896 685052148 /nfs/dbraw/zinc/05/21/48/685052148.db2.gz IOIJSVACFQOTKJ-UHFFFAOYSA-N 1 0 320.422 0.725 50 0 DCAARO C[NH2+]Cc1cn(CC2CCN(C(=O)[C@H]3CCOC3)CC2)nn1 ZINC000023399293 685052871 /nfs/dbraw/zinc/05/28/71/685052871.db2.gz NQSANWGJWBKLPN-ZDUSSCGKSA-N 1 0 307.398 0.273 50 0 DCAARO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(c1cc[nH+]cc1)C2 ZINC000091807006 685106434 /nfs/dbraw/zinc/10/64/34/685106434.db2.gz RDQOYXKKAKOYKR-GXTWGEPZSA-N 1 0 302.378 0.597 50 0 DCAARO O=C(CN1C[C@H]2C[NH2+]C[C@]2(CO)C1)NC1CCCCCCC1 ZINC001772703515 1157842309 /nfs/dbraw/zinc/84/23/09/1157842309.db2.gz XRQQICFPFOHIIY-RHSMWYFYSA-N 1 0 309.454 0.729 50 0 DCAARO CN(C)C[C@]12C[NH2+]C[C@H]1CN(c1ccc(S(C)(=O)=O)cn1)C2 ZINC001772712547 1157849146 /nfs/dbraw/zinc/84/91/46/1157849146.db2.gz RSQFCNBYNBGTMU-WFASDCNBSA-N 1 0 324.450 0.073 50 0 DCAARO Cc1cc(C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2O)[nH]n1 ZINC001704354932 1179983289 /nfs/dbraw/zinc/98/32/89/1179983289.db2.gz MZLLKQCIKHMDJM-GDBMZVCRSA-N 1 0 320.437 0.812 50 0 DCAARO C[C@@H](CNS(=O)(=O)C1CC1)[NH2+]C1(C(N)=O)CCCCC1 ZINC000821826768 758181827 /nfs/dbraw/zinc/18/18/27/758181827.db2.gz BYRFDQPVSQSHDL-JTQLQIEISA-N 1 0 303.428 0.235 50 0 DCAARO C[NH+](C)C[C@H]1COCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000823689903 758262147 /nfs/dbraw/zinc/26/21/47/758262147.db2.gz DFFMVMQQFARFLH-CYBMUJFWSA-N 1 0 305.444 0.227 50 0 DCAARO O=C(NCc1ccc2c(c1)CCCO2)NC[C@H]1C[NH2+]CCO1 ZINC000828027279 758916857 /nfs/dbraw/zinc/91/68/57/758916857.db2.gz FIUFULJCQNQTNT-CQSZACIVSA-N 1 0 305.378 0.799 50 0 DCAARO O=C(c1cccnc1)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000828184510 758943249 /nfs/dbraw/zinc/94/32/49/758943249.db2.gz AERWAPKNUARCOO-CQSZACIVSA-N 1 0 323.418 0.463 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC(c3cccnc3)C2)C1 ZINC000952853160 768917781 /nfs/dbraw/zinc/91/77/81/768917781.db2.gz KCYYFWNYEHSTMQ-ZDUSSCGKSA-N 1 0 302.378 0.205 50 0 DCAARO OC[C@@H]1CN(c2nc(-c3ccccn3)nc3c2CCC3)CC[NH2+]1 ZINC000952883721 768951684 /nfs/dbraw/zinc/95/16/84/768951684.db2.gz ZAGDVBLNAHXVQV-LBPRGKRZSA-N 1 0 311.389 0.798 50 0 DCAARO Cc1cc(C)n(CCNC(=O)C[C@H](C)[NH+]2CCOCC2)c(=O)n1 ZINC000240662512 769931485 /nfs/dbraw/zinc/93/14/85/769931485.db2.gz PLTGVTNIIIPPTL-ZDUSSCGKSA-N 1 0 322.409 0.087 50 0 DCAARO COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CC[NH3+])cc1OC ZINC001529090486 1014494376 /nfs/dbraw/zinc/49/43/76/1014494376.db2.gz IYIGOZTZKAFVHX-GDBMZVCRSA-N 1 0 324.377 0.313 50 0 DCAARO C[N@@H+]1CCC[C@H](C(=O)N2CCCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001529185613 1014516834 /nfs/dbraw/zinc/51/68/34/1014516834.db2.gz OOMUAPIROQHXPF-ZDUSSCGKSA-N 1 0 319.409 0.426 50 0 DCAARO CC[N@H+](CC[C@H]1CCS(=O)(=O)C1)CCN1CCOCC1 ZINC001506399223 1017253938 /nfs/dbraw/zinc/25/39/38/1017253938.db2.gz CBPQECYZGQIVEI-AWEZNQCLSA-N 1 0 304.456 0.465 50 0 DCAARO CO[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1nc(N)nc2c1CCCC2 ZINC001506401417 1017254741 /nfs/dbraw/zinc/25/47/41/1017254741.db2.gz ZZNHKFJKQOXHSQ-NWDGAFQWSA-N 1 0 305.382 0.044 50 0 DCAARO C[C@H](CN(C)C(=O)CCNS(C)(=O)=O)C[NH+]1CCCC1 ZINC001506405748 1017255163 /nfs/dbraw/zinc/25/51/63/1017255163.db2.gz NRQHMXABBPTWKK-GFCCVEGCSA-N 1 0 305.444 0.116 50 0 DCAARO CSc1nc(N)cc(N(C)CC2CC[NH+](CCO)CC2)n1 ZINC001506407588 1017257342 /nfs/dbraw/zinc/25/73/42/1017257342.db2.gz XHOHWOYHNNBKBV-UHFFFAOYSA-N 1 0 311.455 0.921 50 0 DCAARO COc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000082083733 192354329 /nfs/dbraw/zinc/35/43/29/192354329.db2.gz MVRYDGBUQSOGOG-CQSZACIVSA-N 1 0 317.389 0.732 50 0 DCAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1nc2ccccc2[nH]c1=O ZINC000082108133 192357241 /nfs/dbraw/zinc/35/72/41/192357241.db2.gz DKBAMYCVLBSWRX-UHFFFAOYSA-N 1 0 324.344 0.153 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000328596333 530027061 /nfs/dbraw/zinc/02/70/61/530027061.db2.gz HQIINARQWRSKKG-YSKGHYERSA-N 1 0 323.418 0.558 50 0 DCAARO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(C(N)=O)cc1 ZINC000408518787 530058229 /nfs/dbraw/zinc/05/82/29/530058229.db2.gz ZZAVQQJJACNUMF-HUUCEWRRSA-N 1 0 317.389 0.721 50 0 DCAARO CCNC(=O)c1ccc(N2CCO[C@@H](CC[NH+](C)C)C2)nc1 ZINC000071748262 191020295 /nfs/dbraw/zinc/02/02/95/191020295.db2.gz RPKRPULAUDNANA-AWEZNQCLSA-N 1 0 306.410 0.988 50 0 DCAARO C[C@H](NC(=O)C1CC[NH+](Cc2cccn2C)CC1)C(=O)N(C)C ZINC000071746875 191020839 /nfs/dbraw/zinc/02/08/39/191020839.db2.gz MMNSDGZUYLKHHC-ZDUSSCGKSA-N 1 0 320.437 0.830 50 0 DCAARO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000071763444 191027629 /nfs/dbraw/zinc/02/76/29/191027629.db2.gz MMBHCVJDKGXYMT-HTQZYQBOSA-N 1 0 304.393 0.693 50 0 DCAARO CO[C@H]1CN(C(=O)c2cccc(S(C)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000071763784 191028288 /nfs/dbraw/zinc/02/82/88/191028288.db2.gz MJYXNKVCFGMTAK-OLZOCXBDSA-N 1 0 312.391 0.278 50 0 DCAARO CC(C)c1noc(Cn2ncc(N3CC[C@H](C[NH3+])C3)cc2=O)n1 ZINC000072160978 191061955 /nfs/dbraw/zinc/06/19/55/191061955.db2.gz IWHKXIKOBUHGPA-LLVKDONJSA-N 1 0 318.381 0.583 50 0 DCAARO O=C(NC[C@]1(O)CCC[NH2+]CC1)c1ccc(-n2cnnc2)cc1 ZINC000072168408 191067332 /nfs/dbraw/zinc/06/73/32/191067332.db2.gz BJTQCDGCYAALKV-INIZCTEOSA-N 1 0 315.377 0.502 50 0 DCAARO O=C(CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)N1CCOCC1 ZINC000072253244 191087893 /nfs/dbraw/zinc/08/78/93/191087893.db2.gz DTSUSAZTRFIQRU-CQSZACIVSA-N 1 0 307.398 0.239 50 0 DCAARO CNc1ccnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)n1 ZINC000072425935 191160324 /nfs/dbraw/zinc/16/03/24/191160324.db2.gz GBDPJRRHZHBJHF-QWHCGFSZSA-N 1 0 318.425 0.555 50 0 DCAARO Cc1nn(CCO)cc1CN1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072426809 191160780 /nfs/dbraw/zinc/16/07/80/191160780.db2.gz COUNPNQXONKDLT-UHFFFAOYSA-N 1 0 322.453 0.605 50 0 DCAARO O=C1OCCN1CCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072432559 191164048 /nfs/dbraw/zinc/16/40/48/191164048.db2.gz SRRUMNCZTGNZBC-UHFFFAOYSA-N 1 0 302.338 0.302 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072431661 191164924 /nfs/dbraw/zinc/16/49/24/191164924.db2.gz MIPGNEGUKNCOFB-INIZCTEOSA-N 1 0 321.396 0.848 50 0 DCAARO CC(=O)Nc1cccc(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000005250809 181221819 /nfs/dbraw/zinc/22/18/19/181221819.db2.gz JIGXDILBQCBSCD-UHFFFAOYSA-N 1 0 306.366 0.651 50 0 DCAARO C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237432435 202263560 /nfs/dbraw/zinc/26/35/60/202263560.db2.gz BLWLVBYDOOKRBD-PWSUYJOCSA-N 1 0 314.382 0.795 50 0 DCAARO O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CC[NH2+]CC1 ZINC000237838930 202367804 /nfs/dbraw/zinc/36/78/04/202367804.db2.gz CVZJLMVMWDGZQC-JTQLQIEISA-N 1 0 309.316 0.750 50 0 DCAARO C[N@H+]1CC=C(CNC(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000271913265 209318729 /nfs/dbraw/zinc/31/87/29/209318729.db2.gz IYOACGGRRJGRNC-UHFFFAOYSA-N 1 0 315.420 0.387 50 0 DCAARO CC[NH+](CC)CCNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000006783603 181387599 /nfs/dbraw/zinc/38/75/99/181387599.db2.gz PFUFOPGCIFRHPL-UHFFFAOYSA-N 1 0 305.444 0.116 50 0 DCAARO Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@H](O)CO3)CC2)c1 ZINC000091319878 193038680 /nfs/dbraw/zinc/03/86/80/193038680.db2.gz ODZHDTGKYDOJBI-INIZCTEOSA-N 1 0 319.405 0.642 50 0 DCAARO COc1ccc([C@H]2CN(C(=O)CN3CCOC3=O)C[C@@H]2[NH3+])cc1 ZINC000091563188 193073171 /nfs/dbraw/zinc/07/31/71/193073171.db2.gz HXONSTXSPYAMIP-KGLIPLIRSA-N 1 0 319.361 0.401 50 0 DCAARO CS(=O)(=O)N1CCc2[nH]cnc2C12CC[NH+](CC1CC1)CC2 ZINC000092078609 193154812 /nfs/dbraw/zinc/15/48/12/193154812.db2.gz VDMOHCDBMONCGY-UHFFFAOYSA-N 1 0 324.450 0.929 50 0 DCAARO CC(C)(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)S(C)(=O)=O ZINC000093526129 193264254 /nfs/dbraw/zinc/26/42/54/193264254.db2.gz CLXCLQAEWOPFRD-SRVKXCTJSA-N 1 0 302.440 0.847 50 0 DCAARO CN1CCN(C(=O)CNc2nc(Cl)nc3nc[nH]c32)CC1 ZINC000020650563 182241161 /nfs/dbraw/zinc/24/11/61/182241161.db2.gz GZCDLWQOYSWXCR-UHFFFAOYSA-N 1 0 309.761 0.192 50 0 DCAARO NC(=O)C1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000032753250 182659475 /nfs/dbraw/zinc/65/94/75/182659475.db2.gz OTCRDQPQOUACNN-UHFFFAOYSA-N 1 0 302.378 0.917 50 0 DCAARO Cc1nc(C)c(CC(=O)N2CC[NH+](CC(C)C)CC2)c(=O)[nH]1 ZINC000042348221 183256601 /nfs/dbraw/zinc/25/66/01/183256601.db2.gz YQSTWYZRCAUWRO-UHFFFAOYSA-N 1 0 306.410 0.729 50 0 DCAARO COc1ncccc1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000044954772 183467176 /nfs/dbraw/zinc/46/71/76/183467176.db2.gz KEPYILNAHUYZIP-CQSZACIVSA-N 1 0 322.409 0.736 50 0 DCAARO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCn2cccn2)cc1 ZINC000049076316 183710608 /nfs/dbraw/zinc/71/06/08/183710608.db2.gz FZTRPRKLKQPESY-CQSZACIVSA-N 1 0 309.391 0.610 50 0 DCAARO CC[NH+]1CCN(CCCNC(=O)N[C@@H](C)c2nncn2C)CC1 ZINC000065415725 184340438 /nfs/dbraw/zinc/34/04/38/184340438.db2.gz KWQFYTVYQVJLBN-ZDUSSCGKSA-N 1 0 323.445 0.203 50 0 DCAARO C[C@@H](Cn1ccnc1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000065452679 184346713 /nfs/dbraw/zinc/34/67/13/184346713.db2.gz MUPUTXDNOYWARH-KBPBESRZSA-N 1 0 309.414 0.418 50 0 DCAARO O=C(NCCc1cccnc1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065455601 184347642 /nfs/dbraw/zinc/34/76/42/184347642.db2.gz VHOPVHGVYLUTQL-AWEZNQCLSA-N 1 0 314.393 0.645 50 0 DCAARO CCn1c(CC2CC[NH2+]CC2)nn(C[C@@H]2COCCO2)c1=O ZINC000065397590 184335732 /nfs/dbraw/zinc/33/57/32/184335732.db2.gz CHXNKDKTFFKTBA-CYBMUJFWSA-N 1 0 310.398 0.022 50 0 DCAARO CCOC(=O)C1=C(CN2CC[NH+](CC(C)C)CC2)NC(=O)NC1 ZINC000065579102 184367999 /nfs/dbraw/zinc/36/79/99/184367999.db2.gz ZILQJGVKMXFJFC-UHFFFAOYSA-N 1 0 324.425 0.390 50 0 DCAARO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCCNS(C)(=O)=O ZINC000089919302 291840251 /nfs/dbraw/zinc/84/02/51/291840251.db2.gz ILNYIEBUZQTOQJ-DGCLKSJQSA-N 1 0 306.428 0.637 50 0 DCAARO O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250837722 257237509 /nfs/dbraw/zinc/23/75/09/257237509.db2.gz LDUNOOLMIWQQQG-RVMXOQNASA-N 1 0 300.424 0.601 50 0 DCAARO C[NH2+]Cc1nnc(SCC[C@@H]2CCS(=O)(=O)C2)n1C ZINC000426719948 257243280 /nfs/dbraw/zinc/24/32/80/257243280.db2.gz OLEPJKYKQLSKBU-SECBINFHSA-N 1 0 304.441 0.451 50 0 DCAARO Cc1ccc(C(=O)NCCN2CCNC2=O)cc1OCC[NH3+] ZINC000426599032 257245958 /nfs/dbraw/zinc/24/59/58/257245958.db2.gz XHNVVLKXQLVMNS-UHFFFAOYSA-N 1 0 306.366 0.088 50 0 DCAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCCn1ccnc1 ZINC000426465126 257250095 /nfs/dbraw/zinc/25/00/95/257250095.db2.gz HYVSMCXFWDDARH-CYBMUJFWSA-N 1 0 302.382 0.363 50 0 DCAARO O=C(NCCc1cn[nH]c1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000426403433 257251722 /nfs/dbraw/zinc/25/17/22/257251722.db2.gz BYTSQINILBJYLT-HNNXBMFYSA-N 1 0 321.425 0.440 50 0 DCAARO CC[NH2+]Cc1ccc(OC[C@@H](O)CN2CCOCC2)c(OC)c1 ZINC000012050110 395686939 /nfs/dbraw/zinc/68/69/39/395686939.db2.gz HQGNRFNXIXHRJM-HNNXBMFYSA-N 1 0 324.421 0.877 50 0 DCAARO C[C@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000012602383 395687914 /nfs/dbraw/zinc/68/79/14/395687914.db2.gz KHUWFAQUFRAOHH-LBPRGKRZSA-N 1 0 319.409 0.556 50 0 DCAARO C[C@@H](CNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1)[NH+](C)C ZINC000089900642 395716341 /nfs/dbraw/zinc/71/63/41/395716341.db2.gz PTPOBXMOUSSRFQ-DZGCQCFKSA-N 1 0 319.405 0.480 50 0 DCAARO Cn1cnc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1Cl ZINC000035247451 395719768 /nfs/dbraw/zinc/71/97/68/395719768.db2.gz HMVAUXGSLNJESX-UHFFFAOYSA-N 1 0 306.819 0.788 50 0 DCAARO CC(C)N1C(=O)N[C@]2(CC[N@H+](CCc3cnn(C)c3)C2)C1=O ZINC000084597378 395698490 /nfs/dbraw/zinc/69/84/90/395698490.db2.gz HILOXQOBMBCUBI-HNNXBMFYSA-N 1 0 305.382 0.367 50 0 DCAARO Cn1cnc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000037989557 395730256 /nfs/dbraw/zinc/73/02/56/395730256.db2.gz ZQKVWVYHOIWBJU-VIFPVBQESA-N 1 0 318.830 0.836 50 0 DCAARO CCCS(=O)(=O)N1CCN(c2cc(N(C)C)cn[nH+]2)CC1 ZINC000096098684 395744501 /nfs/dbraw/zinc/74/45/01/395744501.db2.gz OXOLCTFAOAUYAS-UHFFFAOYSA-N 1 0 313.427 0.404 50 0 DCAARO NC(=O)COc1cccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097370367 395756984 /nfs/dbraw/zinc/75/69/84/395756984.db2.gz VQCCUYHEIRCCCP-OAHLLOKOSA-N 1 0 318.421 0.030 50 0 DCAARO CN1CCO[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000106844209 395783664 /nfs/dbraw/zinc/78/36/64/395783664.db2.gz MNGFHRNEZSCNHS-UKRRQHHQSA-N 1 0 314.813 1.000 50 0 DCAARO O=C(CCc1cn[nH]c1)N1CC[N@H+](CC2CCC2)C[C@H](O)C1 ZINC000097610211 395759038 /nfs/dbraw/zinc/75/90/38/395759038.db2.gz BHFYZZNMLJLSRN-HNNXBMFYSA-N 1 0 306.410 0.648 50 0 DCAARO CN1C(=O)[C@H]2C[N@H+](Cc3cnc(N4CCCC4)s3)C[C@H]2C1=O ZINC000097638084 395759783 /nfs/dbraw/zinc/75/97/83/395759783.db2.gz CXJOWDUAJSDLGH-TXEJJXNPSA-N 1 0 320.418 0.790 50 0 DCAARO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(-n2cccn2)cc1 ZINC000097756381 395760548 /nfs/dbraw/zinc/76/05/48/395760548.db2.gz BIJXCBFEKLBVTK-AWEZNQCLSA-N 1 0 301.350 0.982 50 0 DCAARO CNC(=C[N+](=O)[O-])NCCSC[C@H]1CC[C@@H](C[NH+](C)C)O1 ZINC000100231039 395762902 /nfs/dbraw/zinc/76/29/02/395762902.db2.gz HCDJRCQNCQCVSO-PBZFIDODSA-N 1 0 318.443 0.713 50 0 DCAARO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)CC2CCC2)CC1 ZINC000195576941 395832355 /nfs/dbraw/zinc/83/23/55/395832355.db2.gz BDIGAJGCDPLKIV-CYBMUJFWSA-N 1 0 303.472 0.732 50 0 DCAARO Cc1cc(C)n(CC(=O)NCCNc2cc[nH+]cc2C)c(=O)n1 ZINC000219585110 395846429 /nfs/dbraw/zinc/84/64/29/395846429.db2.gz ULUVHFDDSHSUFZ-UHFFFAOYSA-N 1 0 315.377 0.792 50 0 DCAARO Cn1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1=O ZINC000051592166 395852143 /nfs/dbraw/zinc/85/21/43/395852143.db2.gz HUBUJFMBFNVUAZ-UHFFFAOYSA-N 1 0 319.405 0.456 50 0 DCAARO O=C([C@@H]1CCC(=O)N1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000223663995 395855698 /nfs/dbraw/zinc/85/56/98/395855698.db2.gz FFNUISYAOKDXTP-INIZCTEOSA-N 1 0 313.401 0.577 50 0 DCAARO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000054411043 395899757 /nfs/dbraw/zinc/89/97/57/395899757.db2.gz PYEUYWVLYRHHRG-ZDUSSCGKSA-N 1 0 305.382 0.744 50 0 DCAARO C[C@@H](NC(=O)CC[NH+]1CCN(CCO)CC1)c1ccccc1 ZINC000054424024 395900020 /nfs/dbraw/zinc/90/00/20/395900020.db2.gz URDUVJKTFHMINU-OAHLLOKOSA-N 1 0 305.422 0.864 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 ZINC000125660461 395905012 /nfs/dbraw/zinc/90/50/12/395905012.db2.gz ZZEWECCMIWLIEN-NTYUQYKDSA-N 1 0 303.362 0.384 50 0 DCAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[NH2+]C[C@@H]2C)[nH]n1 ZINC000126435038 395913861 /nfs/dbraw/zinc/91/38/61/395913861.db2.gz RTVINOYBOVZDNF-VIFPVBQESA-N 1 0 302.382 0.861 50 0 DCAARO CNS(=O)(=O)CCNC(=O)CC[NH+]1CCCCCCC1 ZINC000055358785 395918173 /nfs/dbraw/zinc/91/81/73/395918173.db2.gz ZJMGIROLMNDWNQ-UHFFFAOYSA-N 1 0 305.444 0.308 50 0 DCAARO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229531305 395874511 /nfs/dbraw/zinc/87/45/11/395874511.db2.gz YTSXCCXGXYPPHR-RBSFLKMASA-N 1 0 321.425 0.674 50 0 DCAARO CC1CC[NH+](C[C@H](O)CN2CCO[C@@H](Cn3cncn3)C2)CC1 ZINC000229554802 395875905 /nfs/dbraw/zinc/87/59/05/395875905.db2.gz BRJWQOTUAZYODE-JKSUJKDBSA-N 1 0 323.441 0.072 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C)CC1 ZINC000229918425 395876481 /nfs/dbraw/zinc/87/64/81/395876481.db2.gz LETWVOXKHYUYSR-DOTOQJQBSA-N 1 0 319.453 0.758 50 0 DCAARO CN1N=C(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCC1=O ZINC000053176099 395877599 /nfs/dbraw/zinc/87/75/99/395877599.db2.gz UFJREKMCKBMVAF-UHFFFAOYSA-N 1 0 301.350 0.338 50 0 DCAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000247758468 395978619 /nfs/dbraw/zinc/97/86/19/395978619.db2.gz FVJUPHLRWSUWDD-HRCADAONSA-N 1 0 324.425 0.689 50 0 DCAARO Cn1ncc2c1nc(C(=O)NCC[NH+](C)C)nc2N1CCCC1 ZINC000065257125 395991067 /nfs/dbraw/zinc/99/10/67/395991067.db2.gz HRQWMOPYLIGUCE-UHFFFAOYSA-N 1 0 317.397 0.255 50 0 DCAARO Cn1cc([C@@H]2C[C@@H]2C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000252671856 396023957 /nfs/dbraw/zinc/02/39/57/396023957.db2.gz OLRZRQYPOUXKPK-CAOSSQGBSA-N 1 0 318.421 0.581 50 0 DCAARO Cc1ncc(CO)c(CN2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)c1O ZINC000067490962 396027089 /nfs/dbraw/zinc/02/70/89/396027089.db2.gz RAWRXJONSJKYHU-OCCSQVGLSA-N 1 0 322.409 0.014 50 0 DCAARO Cc1cc(=O)n(CC[NH+]2CCC(c3cc[nH]n3)CC2)c(=O)[nH]1 ZINC000253536285 396029583 /nfs/dbraw/zinc/02/95/83/396029583.db2.gz CSWFRTVOTRPCIF-UHFFFAOYSA-N 1 0 303.366 0.860 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(OC)cc1C ZINC000067855187 396036205 /nfs/dbraw/zinc/03/62/05/396036205.db2.gz VBIDOAUQUPMXFO-FZMZJTMJSA-N 1 0 305.378 0.682 50 0 DCAARO CCOC(=O)N1CCC([NH+]2CCC3(CC2)NCCNC3=O)CC1 ZINC000067946451 396039703 /nfs/dbraw/zinc/03/97/03/396039703.db2.gz UIEPCYOAERYFIX-UHFFFAOYSA-N 1 0 324.425 0.161 50 0 DCAARO CC(C)(C)c1nc(N2CC[C@@H](O)C2)cc(N2CC[C@@H](O)C2)n1 ZINC000252500615 396021708 /nfs/dbraw/zinc/02/17/08/396021708.db2.gz SZFKVVFYCNVGKQ-VXGBXAGGSA-N 1 0 306.410 0.916 50 0 DCAARO C[NH+](C)CCNC(=O)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000069703496 396087577 /nfs/dbraw/zinc/08/75/77/396087577.db2.gz KSCFQNQMSQUUPS-UHFFFAOYSA-N 1 0 315.377 0.548 50 0 DCAARO C[C@H](OC[C@@H]1CCCCO1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000069738556 396088713 /nfs/dbraw/zinc/08/87/13/396088713.db2.gz YKRYWBWQKKPVHX-KKUMJFAQSA-N 1 0 313.442 0.323 50 0 DCAARO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069981813 396097540 /nfs/dbraw/zinc/09/75/40/396097540.db2.gz ORYNBXPUVREIMP-NWDGAFQWSA-N 1 0 317.397 0.987 50 0 DCAARO CO[C@H]1CN(C(=O)c2cnnn2-c2ccccc2)CC[C@H]1[NH3+] ZINC000071498354 396114640 /nfs/dbraw/zinc/11/46/40/396114640.db2.gz GXKZLKAVWGMEOE-OCCSQVGLSA-N 1 0 301.350 0.456 50 0 DCAARO CC1CC[NH+](C[C@H](O)Cn2nnc3ccccc3c2=O)CC1 ZINC000071825032 396117209 /nfs/dbraw/zinc/11/72/09/396117209.db2.gz ZIVQMNUMCFGFSB-ZDUSSCGKSA-N 1 0 302.378 0.884 50 0 DCAARO O=C(c1cccnc1-n1cncn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839836 396118359 /nfs/dbraw/zinc/11/83/59/396118359.db2.gz OACCJNZAIASKAP-CYBMUJFWSA-N 1 0 312.377 0.973 50 0 DCAARO C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000072267905 396128143 /nfs/dbraw/zinc/12/81/43/396128143.db2.gz YTUCELNNIBBZSI-IUODEOHRSA-N 1 0 309.385 0.923 50 0 DCAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000072254072 396128271 /nfs/dbraw/zinc/12/82/71/396128271.db2.gz NDUGJWXFBFAQOW-MCIONIFRSA-N 1 0 310.398 0.047 50 0 DCAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)C1CCOCC1 ZINC000072292500 396129768 /nfs/dbraw/zinc/12/97/68/396129768.db2.gz CQXNRFADMRRSJN-GXTWGEPZSA-N 1 0 317.455 0.511 50 0 DCAARO O=C1CCCN1C[C@H](O)C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000075125751 396176449 /nfs/dbraw/zinc/17/64/49/396176449.db2.gz UIEIXTXLRDVOOF-CQSZACIVSA-N 1 0 319.409 0.150 50 0 DCAARO [NH3+]C[C@@H]1CCN(C(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000178572675 396199504 /nfs/dbraw/zinc/19/95/04/396199504.db2.gz NKDBNTSMDHHJLD-AWEZNQCLSA-N 1 0 303.410 0.011 50 0 DCAARO Cc1cc([C@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)[nH]n1 ZINC000078901156 396258096 /nfs/dbraw/zinc/25/80/96/396258096.db2.gz OHHRTOOWEGGPPQ-LBPRGKRZSA-N 1 0 317.393 0.495 50 0 DCAARO Cc1cc(N2CCN(C(=O)CCn3cnnn3)CC2)cc(C)[nH+]1 ZINC000077407015 396221266 /nfs/dbraw/zinc/22/12/66/396221266.db2.gz KLHFVAJYPQTDSZ-UHFFFAOYSA-N 1 0 315.381 0.424 50 0 DCAARO C[NH+]1CCN(c2ccc(C(=O)N3CCOC[C@@H](O)C3)cc2)CC1 ZINC000077486420 396224298 /nfs/dbraw/zinc/22/42/98/396224298.db2.gz MVYBJBSZWYNQDD-INIZCTEOSA-N 1 0 319.405 0.272 50 0 DCAARO C[C@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)CC[NH2+]1 ZINC000179183150 396224371 /nfs/dbraw/zinc/22/43/71/396224371.db2.gz JWGZXFKZSGFVFC-ZETCQYMHSA-N 1 0 300.156 0.571 50 0 DCAARO COCCn1cnnc1C[NH2+][C@H]1CCC(=O)N(CC2CC2)CC1 ZINC000584890681 396634267 /nfs/dbraw/zinc/63/42/67/396634267.db2.gz CTIXKCLRTXIMRH-AWEZNQCLSA-N 1 0 321.425 0.805 50 0 DCAARO Cc1cc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)nc(C)n1 ZINC000584901392 396636890 /nfs/dbraw/zinc/63/68/90/396636890.db2.gz GLOCOQPXQWDRJK-GJZGRUSLSA-N 1 0 304.394 0.765 50 0 DCAARO C[NH+](C)CC1(O)CCN(C(=O)c2nc3cccnc3[nH]2)CC1 ZINC000584903870 396637206 /nfs/dbraw/zinc/63/72/06/396637206.db2.gz UJFUWQRSSKFWLM-UHFFFAOYSA-N 1 0 303.366 0.487 50 0 DCAARO C[C@H](O)[C@@H](O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000585140260 396641604 /nfs/dbraw/zinc/64/16/04/396641604.db2.gz AXWAMOGQHHUWOQ-ZFWWWQNUSA-N 1 0 308.378 0.935 50 0 DCAARO Cn1cc(CN2CCCN(C(=O)c3cncn3C)CC2)cn1 ZINC000330311202 159158977 /nfs/dbraw/zinc/15/89/77/159158977.db2.gz VOTJSGJJEHTODM-UHFFFAOYSA-N 1 0 302.382 0.502 50 0 DCAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000237326614 286924834 /nfs/dbraw/zinc/92/48/34/286924834.db2.gz UHBFIAOGMBSBKO-LOWDOPEQSA-N 1 0 305.444 0.400 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1 ZINC000134020390 196354117 /nfs/dbraw/zinc/35/41/17/196354117.db2.gz BBFULOIQWWALJB-LBPRGKRZSA-N 1 0 311.407 0.466 50 0 DCAARO COC(=O)N1C[C@@H](O)[C@@H]([NH+]2CCCCC2)CN1C(=O)OC ZINC000001275873 415124856 /nfs/dbraw/zinc/12/48/56/415124856.db2.gz MMZZRSKYKIOHML-WDEREUQCSA-N 1 0 301.343 0.267 50 0 DCAARO C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)N(C)CC2CC2)CC1 ZINC000332181693 415283498 /nfs/dbraw/zinc/28/34/98/415283498.db2.gz WRZGGBDOQFZPNZ-LBPRGKRZSA-N 1 0 319.471 0.350 50 0 DCAARO CS(=O)(=O)NCCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000044862420 415228522 /nfs/dbraw/zinc/22/85/22/415228522.db2.gz MVHRWASBFONFIX-UHFFFAOYSA-N 1 0 322.434 0.960 50 0 DCAARO O[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)COc1ccccc1 ZINC000058307294 415343383 /nfs/dbraw/zinc/34/33/83/415343383.db2.gz JWLBVYVCBGYCSR-KGLIPLIRSA-N 1 0 302.378 0.954 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(Cn3ccnc3)o2)C1 ZINC000072150285 415411318 /nfs/dbraw/zinc/41/13/18/415411318.db2.gz VLCKKEQLUOESHC-INIZCTEOSA-N 1 0 318.377 0.663 50 0 DCAARO COc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)nc(OC)n1 ZINC000067460262 415373489 /nfs/dbraw/zinc/37/34/89/415373489.db2.gz CXGDGQBEMAZWOD-NSHDSACASA-N 1 0 308.382 0.956 50 0 DCAARO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2cccnc2)CCC1=O ZINC000067649787 415379714 /nfs/dbraw/zinc/37/97/14/415379714.db2.gz FWLJWAIPQMZJRJ-HNNXBMFYSA-N 1 0 318.421 0.541 50 0 DCAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH2+]CCO ZINC000067473034 415381415 /nfs/dbraw/zinc/38/14/15/415381415.db2.gz DEKFJEDQCGOPHO-HNNXBMFYSA-N 1 0 314.332 0.400 50 0 DCAARO CCn1ccnc1Cn1nc([C@@H]2CCC[NH2+]C2)n(CC)c1=O ZINC000067688565 415385320 /nfs/dbraw/zinc/38/53/20/415385320.db2.gz MVJFZCAXVGZINP-GFCCVEGCSA-N 1 0 304.398 0.796 50 0 DCAARO CC(C)C[C@H]1COCCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000079306083 415468370 /nfs/dbraw/zinc/46/83/70/415468370.db2.gz PVHYDBLAXPSOOG-LSDHHAIUSA-N 1 0 312.458 0.689 50 0 DCAARO C[N@H+](CCn1cccn1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085796228 415504230 /nfs/dbraw/zinc/50/42/30/415504230.db2.gz JBVFVXPGHIMDQF-ZDUSSCGKSA-N 1 0 300.428 0.487 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)CC[N@@H+]1C[C@H](C)O ZINC000106869321 415650652 /nfs/dbraw/zinc/65/06/52/415650652.db2.gz LLNNGOPJLMHJCG-SMDDNHRTSA-N 1 0 323.441 0.742 50 0 DCAARO Cc1n[nH]cc1C[NH2+]CCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000097159639 415586938 /nfs/dbraw/zinc/58/69/38/415586938.db2.gz MBBPVIRWNRITHD-GHMZBOCLSA-N 1 0 316.427 0.247 50 0 DCAARO Cc1cccc(N2CCN(C(=O)C3(O)CC[NH+](C)CC3)CC2)n1 ZINC000097117472 415587839 /nfs/dbraw/zinc/58/78/39/415587839.db2.gz MZKJNVCQMXGDIK-UHFFFAOYSA-N 1 0 318.421 0.495 50 0 DCAARO COC(=O)[C@H](F)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000107051818 415661244 /nfs/dbraw/zinc/66/12/44/415661244.db2.gz DHRKINHRJKVRHU-QLFBSQMISA-N 1 0 315.433 0.988 50 0 DCAARO CCn1ncnc1CN1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107665148 415673360 /nfs/dbraw/zinc/67/33/60/415673360.db2.gz IMRAZXSTYJBAPP-OAHLLOKOSA-N 1 0 306.414 0.084 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000108087437 415675760 /nfs/dbraw/zinc/67/57/60/415675760.db2.gz CABSESQOTSRDKF-DOMZBBRYSA-N 1 0 321.425 0.753 50 0 DCAARO COC(=O)Cn1ncc2c1ncnc2N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000108368338 415679016 /nfs/dbraw/zinc/67/90/16/415679016.db2.gz OGAQZQPMILBQSQ-QWRGUYRKSA-N 1 0 318.381 0.528 50 0 DCAARO Cc1ccn(-c2ccc(N3CCC[N@H+](CCO)CC3)nn2)n1 ZINC000131556291 415930182 /nfs/dbraw/zinc/93/01/82/415930182.db2.gz NYTKPBRTWHAPPN-UHFFFAOYSA-N 1 0 302.382 0.475 50 0 DCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1cccn2cnnc12 ZINC000299764866 416066038 /nfs/dbraw/zinc/06/60/38/416066038.db2.gz USDCXRRZVHTTMY-STQMWFEESA-N 1 0 301.350 0.322 50 0 DCAARO C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)Cn1cccc1 ZINC000299773901 416066429 /nfs/dbraw/zinc/06/64/29/416066429.db2.gz GSNCCXBFUWQYCM-CQSZACIVSA-N 1 0 306.410 0.547 50 0 DCAARO CC(=O)N1CCN(C(=O)c2cc(F)ccc2OCCC[NH3+])CC1 ZINC000299788763 416069161 /nfs/dbraw/zinc/06/91/61/416069161.db2.gz UZPPEPRKHOSCAA-UHFFFAOYSA-N 1 0 323.368 0.858 50 0 DCAARO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C[N@@H+]1C[C@@H]3CC[C@H]1C3)C2 ZINC000299796997 416070990 /nfs/dbraw/zinc/07/09/90/416070990.db2.gz RPZZQOURDHDTOB-NEPJUHHUSA-N 1 0 302.378 0.860 50 0 DCAARO O=C(CC[NH+]1CCCC1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299801463 416071223 /nfs/dbraw/zinc/07/12/23/416071223.db2.gz YTYHKNAGJBWZJB-UONOGXRCSA-N 1 0 305.382 0.436 50 0 DCAARO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@H](C)[NH2+]1 ZINC000179162275 416183585 /nfs/dbraw/zinc/18/35/85/416183585.db2.gz JHPBTOJGOKCZKP-OCAPTIKFSA-N 1 0 314.183 0.960 50 0 DCAARO Cc1nn(CC(=O)NCC[C@@H](C)[NH+]2CCN(C)CC2)c(C)c1C ZINC000215626870 416327263 /nfs/dbraw/zinc/32/72/63/416327263.db2.gz QUECXCQRACTPNN-CYBMUJFWSA-N 1 0 321.469 0.951 50 0 DCAARO CS(=O)(=O)c1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000216262581 416327339 /nfs/dbraw/zinc/32/73/39/416327339.db2.gz WUOCAZNFXWYNIC-HOTGVXAUSA-N 1 0 324.446 0.731 50 0 DCAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000237459994 416328197 /nfs/dbraw/zinc/32/81/97/416328197.db2.gz MCGDWHLIQPAQKX-IUCAKERBSA-N 1 0 306.819 0.964 50 0 DCAARO Cn1c(=O)[nH]cc(CC[N@@H+]2CCOc3ccccc3C2)c1=O ZINC000241081903 416329947 /nfs/dbraw/zinc/32/99/47/416329947.db2.gz YSEGZGZMLAWAJA-UHFFFAOYSA-N 1 0 301.346 0.923 50 0 DCAARO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000239667439 416330149 /nfs/dbraw/zinc/33/01/49/416330149.db2.gz BQCJWKCOLZDTKG-KBPBESRZSA-N 1 0 316.467 0.812 50 0 DCAARO Nc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 ZINC000584887315 416515887 /nfs/dbraw/zinc/51/58/87/416515887.db2.gz UHQKARSHMRGQAK-GFCCVEGCSA-N 1 0 310.423 0.985 50 0 DCAARO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)CC1=O ZINC000299749365 229393091 /nfs/dbraw/zinc/39/30/91/229393091.db2.gz KCDJNOOAJDGFQD-NGFQHRJXSA-N 1 0 301.390 0.682 50 0 DCAARO COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)N(C)C ZINC000299751088 229394256 /nfs/dbraw/zinc/39/42/56/229394256.db2.gz PLCUYHBXWUFEPZ-UBHSHLNASA-N 1 0 307.394 0.137 50 0 DCAARO Cc1cccc2nc(C(=O)N3CC[C@](O)(C[NH+](C)C)C3)cn21 ZINC000072121782 274803211 /nfs/dbraw/zinc/80/32/11/274803211.db2.gz HVCHVYKTZUGOOM-INIZCTEOSA-N 1 0 302.378 0.781 50 0 DCAARO C[N@@H+]1CCN2C[C@@H](NC(=O)c3scc4c3OCCO4)C[C@H]2C1 ZINC000067965015 277115790 /nfs/dbraw/zinc/11/57/90/277115790.db2.gz UVYFTXJZRZWTCX-QWRGUYRKSA-N 1 0 323.418 0.637 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000178604603 277294907 /nfs/dbraw/zinc/29/49/07/277294907.db2.gz NXNNXIYWDSZZDY-GFCCVEGCSA-N 1 0 311.407 0.466 50 0 DCAARO CC(C)C[NH+]1CCC(C(=O)N2CCN(C[C@@H](C)O)CC2)CC1 ZINC000069632092 277382928 /nfs/dbraw/zinc/38/29/28/277382928.db2.gz AUSHOJFFUJCBHR-OAHLLOKOSA-N 1 0 311.470 0.879 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C[C@@H](C)[NH2+]1 ZINC000246566367 287973109 /nfs/dbraw/zinc/97/31/09/287973109.db2.gz BAGCBKJVODXIIP-KYXWUPHJSA-N 1 0 307.316 0.652 50 0 DCAARO COc1c(C)cnc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)c1C ZINC000077471039 277782150 /nfs/dbraw/zinc/78/21/50/277782150.db2.gz WYOAWQMZCFLWSW-UHFFFAOYSA-N 1 0 318.377 0.881 50 0 DCAARO Cc1cc(N2CCN(C(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)nc(C)n1 ZINC000237788297 280557651 /nfs/dbraw/zinc/55/76/51/280557651.db2.gz PBOCPZAYCQEYAY-KBPBESRZSA-N 1 0 303.410 0.869 50 0 DCAARO C[C@H](C(=O)Nc1nccs1)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000106840916 289385998 /nfs/dbraw/zinc/38/59/98/289385998.db2.gz PQWCOEWILVCBTJ-SDDRHHMPSA-N 1 0 312.439 0.857 50 0 DCAARO Cn1cc(CCC(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cn1 ZINC000244787966 294231837 /nfs/dbraw/zinc/23/18/37/294231837.db2.gz QHCDJJLKQQIODD-ZOBUZTSGSA-N 1 0 320.437 0.608 50 0 DCAARO COc1cccc(OC)c1C(=O)N1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091964518 295309027 /nfs/dbraw/zinc/30/90/27/295309027.db2.gz LBPHSSOGQYZRNM-CHWSQXEVSA-N 1 0 322.405 0.946 50 0 DCAARO CSCC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002147377 295604729 /nfs/dbraw/zinc/60/47/29/295604729.db2.gz ZMSKGTWYKHTIRQ-AGIUHOORSA-N 1 0 321.446 0.874 50 0 biogenic DCAARO CC[N@@H+]1C[C@H](NC(=O)CNC(=O)c2ccccc2)[C@@H](OC)C1 ZINC000534590760 334294142 /nfs/dbraw/zinc/29/41/42/334294142.db2.gz LQUUVVUAEUHQSD-KBPBESRZSA-N 1 0 305.378 0.252 50 0 DCAARO O=S(=O)(Cc1cccc(Cl)c1)NC[C@H]1C[NH2+]CCO1 ZINC000534655074 334313525 /nfs/dbraw/zinc/31/35/25/334313525.db2.gz OZHJLBMJGOGGOF-GFCCVEGCSA-N 1 0 304.799 0.748 50 0 DCAARO O=C(Cc1cn2ccsc2n1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000534676676 334323660 /nfs/dbraw/zinc/32/36/60/334323660.db2.gz INVRVEMQRSIQPG-STQMWFEESA-N 1 0 320.418 0.918 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@H](C)[NH2+]1 ZINC000153866641 534425347 /nfs/dbraw/zinc/42/53/47/534425347.db2.gz CFCGMVJDKUCXJV-DTORHVGOSA-N 1 0 302.334 0.039 50 0 DCAARO Cc1cccc2ncc(C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)c(=O)n12 ZINC000077379947 545679229 /nfs/dbraw/zinc/67/92/29/545679229.db2.gz RYNWJSRJBVAPLQ-GXTWGEPZSA-N 1 0 312.373 0.779 50 0 DCAARO CC(=O)N1CCCc2ccc(S(=O)(=O)N3CC[C@@H]([NH3+])C3)cc21 ZINC000236574418 545951117 /nfs/dbraw/zinc/95/11/17/545951117.db2.gz XBDBVAKKLGLQFC-CYBMUJFWSA-N 1 0 323.418 0.707 50 0 DCAARO O=S(=O)(NCCCCC[NH+]1CCOCC1)c1cn[nH]c1 ZINC000670470524 547099935 /nfs/dbraw/zinc/09/99/35/547099935.db2.gz HHYWAEIMZNARHI-UHFFFAOYSA-N 1 0 302.400 0.191 50 0 DCAARO CN(C)Cc1noc(CN2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)n1 ZINC000244695581 660602323 /nfs/dbraw/zinc/60/23/23/660602323.db2.gz JPBGRAUXAHLUOC-CQSZACIVSA-N 1 0 323.441 0.552 50 0 DCAARO Cc1nc(S(=O)(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)cn1C ZINC000888095677 661167580 /nfs/dbraw/zinc/16/75/80/661167580.db2.gz QAIAMLXSVIOSGZ-MNOVXSKESA-N 1 0 300.428 0.736 50 0 DCAARO CN(C)C(=O)[C@@](C)(NC[C@@H](O)C[N@H+](C)C1CC1)C(F)(F)F ZINC000888095791 661168642 /nfs/dbraw/zinc/16/86/42/661168642.db2.gz WAMDSSRYLYBZHT-ZYHUDNBSSA-N 1 0 311.348 0.440 50 0 DCAARO CC(CO)(CO)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000888096541 661173982 /nfs/dbraw/zinc/17/39/82/661173982.db2.gz IAOUQQTWMVEULZ-HNNXBMFYSA-N 1 0 321.421 0.551 50 0 DCAARO O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299923603 659663324 /nfs/dbraw/zinc/66/33/24/659663324.db2.gz WWUNEWVADWYIKB-MNOVXSKESA-N 1 0 311.363 0.967 50 0 DCAARO COc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1F ZINC000020536943 659680652 /nfs/dbraw/zinc/68/06/52/659680652.db2.gz RQODIHKCPAGZGU-GJZGRUSLSA-N 1 0 310.369 0.712 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2scnc2c1 ZINC000067850472 665333809 /nfs/dbraw/zinc/33/38/09/665333809.db2.gz JMMDXDJKNNHODO-KOLCDFICSA-N 1 0 304.375 0.584 50 0 DCAARO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cn[nH]n1 ZINC000183392449 666037036 /nfs/dbraw/zinc/03/70/36/666037036.db2.gz DJMNMVSZPUAPPA-ZDUSSCGKSA-N 1 0 301.350 0.301 50 0 DCAARO Cn1ccnc1[C@H](NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)C1CC1 ZINC000952965842 685599328 /nfs/dbraw/zinc/59/93/28/685599328.db2.gz UOJTTZAUGQPGQS-GXTWGEPZSA-N 1 0 319.409 0.185 50 0 DCAARO CSCC[NH+]1CCC(NC(=O)[C@H](C)Cn2cncn2)CC1 ZINC000952971759 685599735 /nfs/dbraw/zinc/59/97/35/685599735.db2.gz XXLWWCSLIPIODR-GFCCVEGCSA-N 1 0 311.455 0.858 50 0 DCAARO O=C(NCC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cnccn1 ZINC000952986845 685601840 /nfs/dbraw/zinc/60/18/40/685601840.db2.gz ITQZTLCAMQKQEO-AWEZNQCLSA-N 1 0 304.394 0.955 50 0 DCAARO C[C@@H](CN(C)S(=O)(=O)N1CCN(C)CC1)C[NH+]1CCCC1 ZINC000952982160 685601883 /nfs/dbraw/zinc/60/18/83/685601883.db2.gz ZRHADPWAMFNOCG-AWEZNQCLSA-N 1 0 318.487 0.142 50 0 DCAARO CN(CCNC(=O)C1([NH+]2CCCC2)CCCC1)S(C)(=O)=O ZINC000952982503 685602018 /nfs/dbraw/zinc/60/20/18/685602018.db2.gz AMSZURJFICUUIM-UHFFFAOYSA-N 1 0 317.455 0.403 50 0 DCAARO Cc1nc2c(c(=O)n1C)CC[N@H+](CCCn1cccn1)CC2 ZINC000065395167 685063195 /nfs/dbraw/zinc/06/31/95/685063195.db2.gz VEXWTDNLQZMAJF-UHFFFAOYSA-N 1 0 301.394 0.776 50 0 DCAARO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C3CCOCC3)CCN2)cn1 ZINC000072145899 685074095 /nfs/dbraw/zinc/07/40/95/685074095.db2.gz UDCGKXGNTZKQLU-HNNXBMFYSA-N 1 0 304.394 0.781 50 0 DCAARO O=C(NC[C@]1(O)CC[NH2+]C1)c1c[nH]nc1-c1cccc(F)c1 ZINC000072167491 685075021 /nfs/dbraw/zinc/07/50/21/685075021.db2.gz AURJBBOILVADNA-HNNXBMFYSA-N 1 0 304.325 0.670 50 0 DCAARO CC(C)n1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000077471855 685081435 /nfs/dbraw/zinc/08/14/35/685081435.db2.gz MAZSWEJUNYUGJK-GFCCVEGCSA-N 1 0 307.398 0.391 50 0 DCAARO C[N@@H+]1C[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(F)cc1)C2 ZINC001704311369 1179969585 /nfs/dbraw/zinc/96/95/85/1179969585.db2.gz GSHFFCFOQQNVRH-OCCSQVGLSA-N 1 0 308.353 0.994 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)CNC(=O)c1ccccc1)C2 ZINC001704313646 1179970145 /nfs/dbraw/zinc/97/01/45/1179970145.db2.gz LGCGKOGYVIITLJ-ZFWWWQNUSA-N 1 0 317.389 0.205 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(Cc1cccc(OCCO)c1)C2 ZINC001704316342 1179970761 /nfs/dbraw/zinc/97/07/61/1179970761.db2.gz YKXMVZKNQULZQI-HOTGVXAUSA-N 1 0 306.406 0.820 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1cn3ccccc3n1)C2 ZINC001704330266 1179975114 /nfs/dbraw/zinc/97/51/14/1179975114.db2.gz ARYMZFYGQNCZMD-STQMWFEESA-N 1 0 300.362 0.737 50 0 DCAARO CC[NH+]1CCN(CC(=O)NC[C@@H](O)c2cccc(O)c2)CC1 ZINC000823112976 758222563 /nfs/dbraw/zinc/22/25/63/758222563.db2.gz WLHBGXPXQZDEBD-OAHLLOKOSA-N 1 0 307.394 0.179 50 0 DCAARO Cn1ncc2c1nc(NCCC[N@@H+]1CCCC[C@@H]1CO)nc2N ZINC000828710841 759072246 /nfs/dbraw/zinc/07/22/46/759072246.db2.gz NNWWKEGADKWEBU-LLVKDONJSA-N 1 0 319.413 0.594 50 0 DCAARO CC(C)C[N@@H+]1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)C[C@H]1CCO ZINC001529198864 1014519035 /nfs/dbraw/zinc/51/90/35/1014519035.db2.gz MJQLNWIOYCUZHL-CYBMUJFWSA-N 1 0 310.398 0.412 50 0 DCAARO CS(=O)(=O)NCC[NH2+]C1CCN(Cc2ccco2)CC1 ZINC001506398978 1017252417 /nfs/dbraw/zinc/25/24/17/1017252417.db2.gz JAHPFDIDVJQCJG-UHFFFAOYSA-N 1 0 301.412 0.383 50 0 DCAARO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@H](O)C2)CC1 ZINC000074657416 185006369 /nfs/dbraw/zinc/00/63/69/185006369.db2.gz PWHZDHRGZJIKPQ-CABCVRRESA-N 1 0 312.458 0.426 50 0 DCAARO O=C(CCn1cc(Cl)cn1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082115071 192357588 /nfs/dbraw/zinc/35/75/88/192357588.db2.gz KRBPRTQEXYBYIU-UHFFFAOYSA-N 1 0 322.800 0.933 50 0 DCAARO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000097173329 185418685 /nfs/dbraw/zinc/41/86/85/185418685.db2.gz VZZBYZYRQOHVJY-JTQLQIEISA-N 1 0 305.309 0.385 50 0 DCAARO CN(Cc1c(Br)cnn1C)C[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000328597006 529973420 /nfs/dbraw/zinc/97/34/20/529973420.db2.gz CKAPYWRHXVHADP-DTWKUNHWSA-N 1 0 303.204 0.337 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000328596332 530027206 /nfs/dbraw/zinc/02/72/06/530027206.db2.gz HQIINARQWRSKKG-PPGNKHEKSA-N 1 0 323.418 0.558 50 0 DCAARO Cc1nc(N2CCCCC2)ncc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000071681460 191006985 /nfs/dbraw/zinc/00/69/85/191006985.db2.gz JNHQFPFYJMBGCD-CYBMUJFWSA-N 1 0 319.409 0.575 50 0 DCAARO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C ZINC000071721675 191014731 /nfs/dbraw/zinc/01/47/31/191014731.db2.gz TVYDYDWNEVWTDJ-GFCCVEGCSA-N 1 0 304.394 0.867 50 0 DCAARO Nc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]([NH3+])CC1CCCC1)C2 ZINC000071753026 191024139 /nfs/dbraw/zinc/02/41/39/191024139.db2.gz KPAVKFALNXEAMU-NSHDSACASA-N 1 0 305.382 0.144 50 0 DCAARO CC[C@H]1CN(C(=O)Cc2nnc(-c3ccncc3)[nH]2)CC[NH2+]1 ZINC000071755451 191025203 /nfs/dbraw/zinc/02/52/03/191025203.db2.gz QUPDKXPMACKYCI-LBPRGKRZSA-N 1 0 300.366 0.620 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)NCCCn1nnc2ccccc21 ZINC000072140210 191048059 /nfs/dbraw/zinc/04/80/59/191048059.db2.gz OKGKVHCCUYEEQI-LBPRGKRZSA-N 1 0 303.366 0.316 50 0 DCAARO NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]([NH3+])CC2)c1 ZINC000072147200 191052689 /nfs/dbraw/zinc/05/26/89/191052689.db2.gz SUGDKVBCVXVAOT-SECBINFHSA-N 1 0 315.370 0.427 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCn2ccccc2=O)C1 ZINC000072148167 191054634 /nfs/dbraw/zinc/05/46/34/191054634.db2.gz HLOSFUUBQVQUAW-INIZCTEOSA-N 1 0 307.394 0.154 50 0 DCAARO CC(C)c1nnc2n1CCN(C(=O)C[C@H]1COCC[NH2+]1)CC2 ZINC000072164510 191065362 /nfs/dbraw/zinc/06/53/62/191065362.db2.gz KJOOPPCTJYXAQL-LBPRGKRZSA-N 1 0 307.398 0.165 50 0 DCAARO CCN(CC[NH+](C)C)C(=O)c1cc(N2CCOCC2)ccn1 ZINC000072167092 191066117 /nfs/dbraw/zinc/06/61/17/191066117.db2.gz FGCFKJJWOPYKFY-UHFFFAOYSA-N 1 0 306.410 0.942 50 0 DCAARO C[NH+](C)CC(=O)N1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000072270838 191094376 /nfs/dbraw/zinc/09/43/76/191094376.db2.gz QJHDNBJENMXOPC-OAHLLOKOSA-N 1 0 309.385 0.565 50 0 DCAARO CCCc1cc(N2CCO[C@@H](C[NH+](C)C)C2)n2ncnc2n1 ZINC000072276586 191098972 /nfs/dbraw/zinc/09/89/72/191098972.db2.gz JFGACDCFUAQWGO-ZDUSSCGKSA-N 1 0 304.398 0.844 50 0 DCAARO CC(C)(C)[NH2+]C[C@H](O)COc1nsnc1N1CCOCC1 ZINC000000002176 180668343 /nfs/dbraw/zinc/66/83/43/180668343.db2.gz BLJRIMJGRPQVNF-JTQLQIEISA-N 1 0 316.427 0.503 50 0 fda DCAARO CCCOC[C@H]1CCN(c2nc(N)nc3c2CC[NH2+]CC3)C1 ZINC000072418233 191157052 /nfs/dbraw/zinc/15/70/52/191157052.db2.gz OJRBYKNJDKWGLW-LBPRGKRZSA-N 1 0 305.426 1.000 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000072424573 191159462 /nfs/dbraw/zinc/15/94/62/191159462.db2.gz IWFDZNLTTJILGO-DOMZBBRYSA-N 1 0 308.353 0.918 50 0 DCAARO CN(CCCc1cnn(C)c1)[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1O ZINC000072429965 191163617 /nfs/dbraw/zinc/16/36/17/191163617.db2.gz PNUGWLWMJNRYQA-IRXDYDNUSA-N 1 0 322.453 0.509 50 0 DCAARO Cc1nonc1OCCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072475339 191177106 /nfs/dbraw/zinc/17/71/06/191177106.db2.gz DKBUYGIMSIWJSI-UHFFFAOYSA-N 1 0 315.337 0.620 50 0 DCAARO O[C@@]1(CNCc2noc(Cc3ccccc3)n2)CCC[NH2+]C1 ZINC000072476767 191178363 /nfs/dbraw/zinc/17/83/63/191178363.db2.gz ZVVSELFFZJURIL-INIZCTEOSA-N 1 0 302.378 0.865 50 0 DCAARO O[C@]1(C[NH2+]CCCN2CCCc3ccccc32)CNCCOC1 ZINC000077341882 191695332 /nfs/dbraw/zinc/69/53/32/191695332.db2.gz OIWALQFUPRGZMW-GOSISDBHSA-N 1 0 319.449 0.770 50 0 DCAARO COc1ccc(OC)c(S(=O)(=O)NCCC[NH+](C)C)c1 ZINC000005156572 181210769 /nfs/dbraw/zinc/21/07/69/181210769.db2.gz GMKDFXVGHOAHCV-UHFFFAOYSA-N 1 0 302.396 0.934 50 0 DCAARO CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@@H](C[NH2+]C)C2)C1=O ZINC000236873084 202046584 /nfs/dbraw/zinc/04/65/84/202046584.db2.gz RJGYJHYLTCTRTO-LBPRGKRZSA-N 1 0 324.425 0.555 50 0 DCAARO CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237393132 202253861 /nfs/dbraw/zinc/25/38/61/202253861.db2.gz INCHAXCUFFXMOX-CHWSQXEVSA-N 1 0 311.407 0.227 50 0 DCAARO C[C@H](C(=O)N1CC[C@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000237413470 202259400 /nfs/dbraw/zinc/25/94/00/202259400.db2.gz FUCAHOZTYKKQMG-KOLCDFICSA-N 1 0 300.355 0.548 50 0 DCAARO O=C(NCc1nnc2n1CCC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000089819060 192879068 /nfs/dbraw/zinc/87/90/68/192879068.db2.gz GBYGTHRXHTTYJD-ZDUSSCGKSA-N 1 0 318.425 0.994 50 0 DCAARO Cc1ccccc1[C@H](CC(=O)N1CC[NH2+][C@@H](C)C1)NC(N)=O ZINC000237609874 202302093 /nfs/dbraw/zinc/30/20/93/202302093.db2.gz LASUMRJJNFQUQW-JSGCOSHPSA-N 1 0 304.394 0.915 50 0 DCAARO Cc1noc(CN2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000237688932 202328393 /nfs/dbraw/zinc/32/83/93/202328393.db2.gz AQONSKZPZJWYNI-CHWSQXEVSA-N 1 0 307.398 0.540 50 0 DCAARO Cc1cc(N2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)nc(C)n1 ZINC000237787925 202354500 /nfs/dbraw/zinc/35/45/00/202354500.db2.gz PBOCPZAYCQEYAY-ZIAGYGMSSA-N 1 0 303.410 0.869 50 0 DCAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000237402855 296024405 /nfs/dbraw/zinc/02/44/05/296024405.db2.gz MCGDWHLIQPAQKX-BDAKNGLRSA-N 1 0 306.819 0.964 50 0 DCAARO OCCOCC[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000006552546 181353205 /nfs/dbraw/zinc/35/32/05/181353205.db2.gz GAQQFFVLASHJSE-CYBMUJFWSA-N 1 0 303.786 0.816 50 0 DCAARO CN1CCC([NH+]2CCC(NC(=O)c3ccncn3)CC2)CC1 ZINC000275362161 212291747 /nfs/dbraw/zinc/29/17/47/212291747.db2.gz UIZOYQNLHDIUGW-UHFFFAOYSA-N 1 0 303.410 0.765 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@@H]1CO ZINC000091452139 193058324 /nfs/dbraw/zinc/05/83/24/193058324.db2.gz XIMYPIKOCTZEPN-GHMZBOCLSA-N 1 0 312.332 0.584 50 0 DCAARO C[N@@H+]1CCN(C(=O)NC2CCCC2)C[C@@]12CCNC(=O)CC2 ZINC000091548545 193072335 /nfs/dbraw/zinc/07/23/35/193072335.db2.gz WEJFDQBCOQGMMI-MRXNPFEDSA-N 1 0 308.426 0.925 50 0 DCAARO Cc1nn(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(=O)c2ccccc12 ZINC000091644338 193084412 /nfs/dbraw/zinc/08/44/12/193084412.db2.gz HDFZFXLPCJHNOU-BETUJISGSA-N 1 0 312.373 0.383 50 0 DCAARO OCCNc1cc(N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)ncn1 ZINC000091676990 193089307 /nfs/dbraw/zinc/08/93/07/193089307.db2.gz QTELEVMKKLUVSI-ZIAGYGMSSA-N 1 0 321.425 0.021 50 0 DCAARO O=C(Cc1cccnc1)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091690252 193091867 /nfs/dbraw/zinc/09/18/67/193091867.db2.gz FTPJLRPWPYAXDE-HZPDHXFCSA-N 1 0 303.406 0.787 50 0 DCAARO [NH3+]CCn1cc(C(=O)N2CCC[C@](CO)(CC3CC3)C2)nn1 ZINC000091794199 193109021 /nfs/dbraw/zinc/10/90/21/193109021.db2.gz MDPYTMBPMICMCK-HNNXBMFYSA-N 1 0 307.398 0.252 50 0 DCAARO CC[N@H+](CCO)C[C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@@H]1CO ZINC000092028044 193143123 /nfs/dbraw/zinc/14/31/23/193143123.db2.gz MWNFSXPSZYBOHZ-HUUCEWRRSA-N 1 0 324.421 0.891 50 0 DCAARO CNC(=O)c1cncc(/C=C\C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000493803977 241158982 /nfs/dbraw/zinc/15/89/82/241158982.db2.gz QVBPTIGXLISWLB-GXMNPTEKSA-N 1 0 302.378 0.794 50 0 DCAARO CCc1noc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)n1 ZINC000092098677 193158334 /nfs/dbraw/zinc/15/83/34/193158334.db2.gz QUVGDAANFGKLSV-OAHLLOKOSA-N 1 0 308.382 0.439 50 0 DCAARO Cc1cc(C)n(CCNC(=O)[C@@H]2CCCCC[N@H+]2C)c(=O)n1 ZINC000095376653 193437860 /nfs/dbraw/zinc/43/78/60/193437860.db2.gz BRPBNEZRBRLZOF-AWEZNQCLSA-N 1 0 306.410 0.851 50 0 DCAARO CN1CC[NH+](C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019419252 182122600 /nfs/dbraw/zinc/12/26/00/182122600.db2.gz ZOQLEQUDSGFQML-CQSZACIVSA-N 1 0 308.378 0.540 50 0 DCAARO CC[NH+]1CCN(C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019790782 182149419 /nfs/dbraw/zinc/14/94/19/182149419.db2.gz SGZVHJPSMOCNHN-HNNXBMFYSA-N 1 0 322.405 0.930 50 0 DCAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020434242 182216948 /nfs/dbraw/zinc/21/69/48/182216948.db2.gz JUFWSTBDMAHEJE-KBPBESRZSA-N 1 0 309.797 0.711 50 0 DCAARO C[NH+]1CCN(CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000020727315 182244627 /nfs/dbraw/zinc/24/46/27/182244627.db2.gz OWXFPJBFPWTIRT-UHFFFAOYSA-N 1 0 315.414 0.742 50 0 DCAARO CCC[NH+]1CCC(NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000047631274 183599206 /nfs/dbraw/zinc/59/92/06/183599206.db2.gz JVQGBSAZUWXEDU-UHFFFAOYSA-N 1 0 317.393 0.487 50 0 DCAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC000058275637 184098169 /nfs/dbraw/zinc/09/81/69/184098169.db2.gz JOSYVRXIDHKEST-LBPRGKRZSA-N 1 0 302.382 0.894 50 0 DCAARO COC(=O)c1cccn1C1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000058317054 184104726 /nfs/dbraw/zinc/10/47/26/184104726.db2.gz HIPCEQDDNHYSMT-SNVBAGLBSA-N 1 0 322.365 0.495 50 0 DCAARO C[C@H](CNc1nc2c(c(=O)[nH]1)CC[NH2+]CC2)Oc1cccnc1 ZINC000063856225 184289968 /nfs/dbraw/zinc/28/99/68/184289968.db2.gz ZTPCUNUJVKVZBC-LLVKDONJSA-N 1 0 315.377 0.733 50 0 DCAARO CC(C)[C@H](Cn1ccnc1)NC(=O)CN1CCC[N@H+](C)CC1 ZINC000065372441 184329834 /nfs/dbraw/zinc/32/98/34/184329834.db2.gz HXYXMUFPPFKAAE-HNNXBMFYSA-N 1 0 307.442 0.661 50 0 DCAARO COC(=O)CN1CCC(Nc2cc(C)[nH+]c(N(C)C)n2)CC1 ZINC000065371857 184330272 /nfs/dbraw/zinc/33/02/72/184330272.db2.gz SXAAUVATSHXCFM-UHFFFAOYSA-N 1 0 307.398 0.900 50 0 DCAARO CC[C@H](CNC(=O)Nc1cnn(CC(N)=O)c1)[NH+]1CCCC1 ZINC000065449104 184345966 /nfs/dbraw/zinc/34/59/66/184345966.db2.gz BJCRZKVBVGCKLK-GFCCVEGCSA-N 1 0 308.386 0.364 50 0 DCAARO Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])nc1Cl ZINC000237804609 257237834 /nfs/dbraw/zinc/23/78/34/257237834.db2.gz IQMDOPBUICHKAN-DTWKUNHWSA-N 1 0 306.819 0.869 50 0 DCAARO Cc1ccc(OCCNC(=O)N[C@@H]2CC[NH2+]C[C@H]2O)cc1C ZINC000426723809 257243632 /nfs/dbraw/zinc/24/36/32/257243632.db2.gz AREPYVACQUTNAH-HUUCEWRRSA-N 1 0 307.394 0.704 50 0 DCAARO CC[N@@H+]1CCC[C@](C)(C(=O)N2CCN(c3nc[nH]n3)CC2)C1 ZINC000426700090 257244294 /nfs/dbraw/zinc/24/42/94/257244294.db2.gz SLJSVWNVQTWIIK-HNNXBMFYSA-N 1 0 306.414 0.575 50 0 DCAARO [NH3+]CCOc1ccc(CC(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000426690331 257244541 /nfs/dbraw/zinc/24/45/41/257244541.db2.gz QTTCFFAXZRTLDD-ZDUSSCGKSA-N 1 0 319.361 0.230 50 0 DCAARO Cc1ccc(C(=O)NCCSc2c[nH]nn2)cc1OCC[NH3+] ZINC000426613657 257245274 /nfs/dbraw/zinc/24/52/74/257245274.db2.gz RHSSVXJTHVBXNQ-UHFFFAOYSA-N 1 0 321.406 0.973 50 0 DCAARO NC(=O)C1(NC(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000426505965 257248593 /nfs/dbraw/zinc/24/85/93/257248593.db2.gz XKJMFIZREIFRBV-GFCCVEGCSA-N 1 0 319.409 0.264 50 0 DCAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)N1CCc2[nH]cnc2C1 ZINC000426420024 257251071 /nfs/dbraw/zinc/25/10/71/257251071.db2.gz UBDWSXDPTKCNDD-GFCCVEGCSA-N 1 0 314.393 0.658 50 0 DCAARO C[C@@H](C(=O)NCc1nc(-c2cnccn2)n[nH]1)[NH+]1CCCCC1 ZINC000426399461 257251638 /nfs/dbraw/zinc/25/16/38/257251638.db2.gz UMUNDTRJAVOYIT-NSHDSACASA-N 1 0 315.381 0.752 50 0 DCAARO [NH3+]CCOc1ccc(F)cc1C(=O)NCCN1CCCC1=O ZINC000426372134 257253392 /nfs/dbraw/zinc/25/33/92/257253392.db2.gz AEPMGRGYTWLPIS-UHFFFAOYSA-N 1 0 309.341 0.515 50 0 DCAARO Cc1ccc(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1 ZINC000010111553 395685871 /nfs/dbraw/zinc/68/58/71/395685871.db2.gz HFGUPOLTLHFVDK-UHFFFAOYSA-N 1 0 313.423 0.439 50 0 DCAARO NC(=O)C1CC[NH+](C[C@H](O)Cc2ccc3c(c2)OCO3)CC1 ZINC000000119368 395679877 /nfs/dbraw/zinc/67/98/77/395679877.db2.gz HJSLLYOMOVTBEV-CYBMUJFWSA-N 1 0 306.362 0.516 50 0 DCAARO O=C(CN1CC[NH+](C[C@H](O)C2CC2)CC1)Nc1cccnc1 ZINC000085436869 395700645 /nfs/dbraw/zinc/70/06/45/395700645.db2.gz ZMZVOVMYSCJSJJ-HNNXBMFYSA-N 1 0 304.394 0.409 50 0 DCAARO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC000089689351 395713756 /nfs/dbraw/zinc/71/37/56/395713756.db2.gz NYIUVQCUSXPJPE-OAHLLOKOSA-N 1 0 316.405 0.757 50 0 DCAARO Cc1nccn1CCC[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000089735673 395714327 /nfs/dbraw/zinc/71/43/27/395714327.db2.gz YXHXGDQVHWMZQO-AWEZNQCLSA-N 1 0 319.453 0.866 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3ncc[nH]3)C[C@@H]2C)CC1 ZINC000089937266 395716836 /nfs/dbraw/zinc/71/68/36/395716836.db2.gz DNCHFYDQPFATCK-ZFWWWQNUSA-N 1 0 305.426 0.784 50 0 DCAARO Cc1cnn(C[C@H]2CCC[N@@H+]2C[C@@H](O)CN2CCOCC2)c1 ZINC000106785785 395783715 /nfs/dbraw/zinc/78/37/15/395783715.db2.gz WIKZCLBNBZWWCH-CVEARBPZSA-N 1 0 308.426 0.349 50 0 DCAARO c1cnnc(NC[C@@H]2CN(CCOC[C@H]3CCCO3)CCO2)c1 ZINC000107141343 395784668 /nfs/dbraw/zinc/78/46/68/395784668.db2.gz OHKDCRGRVFWNIP-HUUCEWRRSA-N 1 0 322.409 0.785 50 0 DCAARO COCc1noc(CN2CCN(c3cc[nH+]cc3)C[C@H](O)C2)n1 ZINC000097654055 395760005 /nfs/dbraw/zinc/76/00/05/395760005.db2.gz LAPSVBJEENZPDS-CYBMUJFWSA-N 1 0 319.365 0.294 50 0 DCAARO O=C(Cn1ccccc1=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000097729803 395760209 /nfs/dbraw/zinc/76/02/09/395760209.db2.gz IKAJCKPMRYQADC-UHFFFAOYSA-N 1 0 321.446 0.888 50 0 DCAARO C[N@@H+]1CCN(C(=O)CN2CCc3ccccc3C2)C[C@H](O)C1 ZINC000097743623 395760538 /nfs/dbraw/zinc/76/05/38/395760538.db2.gz SRHIDPVQSDIGNZ-MRXNPFEDSA-N 1 0 303.406 0.180 50 0 DCAARO COCCC[N@@H+]1CCN(C(=O)c2ccc(CO)cc2)C[C@@H](O)C1 ZINC000097815191 395760794 /nfs/dbraw/zinc/76/07/94/395760794.db2.gz ZCERFZAZUBUNPR-INIZCTEOSA-N 1 0 322.405 0.334 50 0 DCAARO CN(C)[C@@H](CNc1c(=O)c(=O)c1NCC[NH+](C)C)c1ccco1 ZINC000101699460 395767071 /nfs/dbraw/zinc/76/70/71/395767071.db2.gz MXUGQAGBXQRHLP-NSHDSACASA-N 1 0 320.393 0.564 50 0 DCAARO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000046147915 395771515 /nfs/dbraw/zinc/77/15/15/395771515.db2.gz NDARZRZEJYSWRG-GJZGRUSLSA-N 1 0 301.390 0.855 50 0 DCAARO NC(=O)CN1CCN(Cc2cc3ccccc3o2)C[C@H](O)C1 ZINC000225329770 395859317 /nfs/dbraw/zinc/85/93/17/395859317.db2.gz JTZREXXVTPOYEZ-ZDUSSCGKSA-N 1 0 303.362 0.397 50 0 DCAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)Nc1cc[nH]n1 ZINC000049543685 395832687 /nfs/dbraw/zinc/83/26/87/395832687.db2.gz FMOHRHZYUWIUEQ-RYUDHWBXSA-N 1 0 305.382 0.729 50 0 biogenic DCAARO C[NH+]1CCN(c2ccc(C(=O)NC[C@H]3COCCO3)cc2)CC1 ZINC000215013654 395836843 /nfs/dbraw/zinc/83/68/43/395836843.db2.gz SSCAZIDLAPAXQI-INIZCTEOSA-N 1 0 319.405 0.584 50 0 DCAARO COCCOc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000050246450 395837984 /nfs/dbraw/zinc/83/79/84/395837984.db2.gz MOTIQBGKEACAHX-LBPRGKRZSA-N 1 0 314.407 0.681 50 0 DCAARO Cc1nc(N)ncc1C(=O)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000218976742 395843764 /nfs/dbraw/zinc/84/37/64/395843764.db2.gz WFHQXRLRUFDJQV-CYBMUJFWSA-N 1 0 319.409 0.286 50 0 DCAARO CNc1ncc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)cn1 ZINC000220536844 395848642 /nfs/dbraw/zinc/84/86/42/395848642.db2.gz CCTQBRXPQOGOIV-XJFOESAGSA-N 1 0 317.393 0.500 50 0 DCAARO COCc1noc(CCNc2cc(C3CC([NH3+])C3)ncn2)n1 ZINC000223414561 395854841 /nfs/dbraw/zinc/85/48/41/395854841.db2.gz HFPXEOQEQQXMKE-UHFFFAOYSA-N 1 0 304.354 0.865 50 0 DCAARO CCN(CC1CC[NH+](C(C)C)CC1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000055134093 395912326 /nfs/dbraw/zinc/91/23/26/395912326.db2.gz HERCUWDYETWEJM-GJZGRUSLSA-N 1 0 318.483 0.587 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)Cc1csc(N2CCCNC2=O)n1 ZINC000126378125 395912724 /nfs/dbraw/zinc/91/27/24/395912724.db2.gz MQRRAYIOKJIWLS-JTQLQIEISA-N 1 0 323.422 0.426 50 0 DCAARO O=C(COc1cccnc1)N[C@@H]([C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000244695592 395925023 /nfs/dbraw/zinc/92/50/23/395925023.db2.gz JPFGMRPAVZQSDN-JKIFEVAISA-N 1 0 319.405 0.716 50 0 DCAARO Cc1nnnn1CCC(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000244872859 395926340 /nfs/dbraw/zinc/92/63/40/395926340.db2.gz WFRILEVNXILCPV-UHFFFAOYSA-N 1 0 322.413 0.131 50 0 DCAARO C[C@@H]1C[N@@H+](C[C@H](O)Cn2nnc(-c3ccsc3)n2)C[C@H](C)O1 ZINC000225708926 395863098 /nfs/dbraw/zinc/86/30/98/395863098.db2.gz LRRBZAOOCIKYLI-LOWVWBTDSA-N 1 0 323.422 0.872 50 0 DCAARO C[N@@H+]1CCC[C@@H](N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000229590230 395875346 /nfs/dbraw/zinc/87/53/46/395875346.db2.gz PDKBGMBQDDXUIX-IAGOWNOFSA-N 1 0 316.449 0.925 50 0 DCAARO CNc1ccnc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000230120223 395878766 /nfs/dbraw/zinc/87/87/66/395878766.db2.gz FWELUVNARCGDGQ-MRXNPFEDSA-N 1 0 318.425 0.651 50 0 DCAARO Cc1ccnn1CCC(=O)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000230567008 395881298 /nfs/dbraw/zinc/88/12/98/395881298.db2.gz QAACWRMLCLNSQD-MRXNPFEDSA-N 1 0 320.437 0.887 50 0 DCAARO Cc1ncc2c(n1)CN(C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000247956988 395980505 /nfs/dbraw/zinc/98/05/05/395980505.db2.gz MMOWEBQMCXWBDY-XEZPLFJOSA-N 1 0 320.437 0.613 50 0 DCAARO C[C@H]1CN(C(=O)CCn2nc3ccccn3c2=O)C[C@H](C)[NH2+]1 ZINC000153253787 396022478 /nfs/dbraw/zinc/02/24/78/396022478.db2.gz SKMUUZFIZIFTJW-RYUDHWBXSA-N 1 0 303.366 0.095 50 0 DCAARO CCS(=O)(=O)N1CCN(c2cc(N(C)C)[nH+]c(C)n2)CC1 ZINC000067621517 396029244 /nfs/dbraw/zinc/02/92/44/396029244.db2.gz QYCMPMWYQHZQRR-UHFFFAOYSA-N 1 0 313.427 0.323 50 0 DCAARO [NH3+]CC(=O)N1C[C@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@H]2C1 ZINC000067773027 396033137 /nfs/dbraw/zinc/03/31/37/396033137.db2.gz PTLQLKQLODKQMX-QWHCGFSZSA-N 1 0 323.780 0.873 50 0 DCAARO O=C1CN(c2ncnc3c2CC[NH2+]C3)CCN1c1ccccc1 ZINC000067878899 396037665 /nfs/dbraw/zinc/03/76/65/396037665.db2.gz RWXNDLHLDQIFGU-UHFFFAOYSA-N 1 0 309.373 0.976 50 0 DCAARO COCCN1CCC[C@](O)(C[N@H+](C)Cc2cccc(O)c2)C1=O ZINC000067947174 396039722 /nfs/dbraw/zinc/03/97/22/396039722.db2.gz JFRXYKPBBMVMPJ-KRWDZBQOSA-N 1 0 322.405 0.824 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CN1CSCC1=O ZINC000249681097 396011123 /nfs/dbraw/zinc/01/11/23/396011123.db2.gz BHIDCZJPTIGXIO-CHWSQXEVSA-N 1 0 311.451 0.995 50 0 DCAARO CC[C@@H](CO)[NH+]1CCN(Cc2ncnn2CC(F)F)CC1 ZINC000252506288 396021909 /nfs/dbraw/zinc/02/19/09/396021909.db2.gz VYOFZXSMWXYEHY-NSHDSACASA-N 1 0 303.357 0.432 50 0 DCAARO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)NCCc1cccs1 ZINC000069814201 396091320 /nfs/dbraw/zinc/09/13/20/396091320.db2.gz BFSVCCXZCDEUKR-STQMWFEESA-N 1 0 311.451 0.716 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)NCc1nncn1-c1ccccc1 ZINC000262040009 396092281 /nfs/dbraw/zinc/09/22/81/396092281.db2.gz GCVJLRYWJYYQLI-GFCCVEGCSA-N 1 0 301.350 0.262 50 0 DCAARO CC(=O)N1CCC(CC(=O)N[C@@H]2CN(C)C[C@H]2C[NH+](C)C)CC1 ZINC000169790644 396093344 /nfs/dbraw/zinc/09/33/44/396093344.db2.gz ZFIZSUIJNAPFSI-HZPDHXFCSA-N 1 0 324.469 0.243 50 0 DCAARO COCCCNC(=O)C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000069902206 396094680 /nfs/dbraw/zinc/09/46/80/396094680.db2.gz QLMKZXOSUJEZNW-ZDUSSCGKSA-N 1 0 307.398 0.188 50 0 DCAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COCc1ccco1)CC2 ZINC000069951250 396096068 /nfs/dbraw/zinc/09/60/68/396096068.db2.gz ZREBTPPLAOAMMA-CHWSQXEVSA-N 1 0 306.366 0.662 50 0 DCAARO O=c1c2ccccc2n(CC[NH+]2CCCCC2)c(=O)n1CCO ZINC000071280369 396111768 /nfs/dbraw/zinc/11/17/68/396111768.db2.gz OHLHSWCELCOLMO-UHFFFAOYSA-N 1 0 317.389 0.641 50 0 DCAARO NC(=O)CC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000071842047 396118805 /nfs/dbraw/zinc/11/88/05/396118805.db2.gz GFKKJYHDAJOXPG-UHFFFAOYSA-N 1 0 309.435 0.994 50 0 DCAARO Cn1ccc(C(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)cc1=O ZINC000071864321 396119396 /nfs/dbraw/zinc/11/93/96/396119396.db2.gz FUCPYXASKFCIDA-AWEZNQCLSA-N 1 0 321.421 0.550 50 0 DCAARO Cc1nc(CN2CCC[C@H]([NH2+]CCCS(C)(=O)=O)C2)no1 ZINC000071870635 396120334 /nfs/dbraw/zinc/12/03/34/396120334.db2.gz MSOXKTBXCSFBGY-LBPRGKRZSA-N 1 0 316.427 0.367 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COCc1ccco1)CC2 ZINC000071876946 396121268 /nfs/dbraw/zinc/12/12/68/396121268.db2.gz FPIFAHXMULPSLL-CHWSQXEVSA-N 1 0 320.393 0.916 50 0 DCAARO O=C(CC[N@@H+]1CCCC[C@H]1Cn1cncn1)N1CCOCC1 ZINC000071876370 396121587 /nfs/dbraw/zinc/12/15/87/396121587.db2.gz URSQOAYUJKAUNG-AWEZNQCLSA-N 1 0 307.398 0.382 50 0 DCAARO COc1ccccc1[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000072267955 396127967 /nfs/dbraw/zinc/12/79/67/396127967.db2.gz PMWZLYOHLJQFDJ-ZIAGYGMSSA-N 1 0 321.421 0.793 50 0 DCAARO CN1CCO[C@H](C[NH2+]CC(=O)NCCOc2ccccc2)C1 ZINC000072267994 396128146 /nfs/dbraw/zinc/12/81/46/396128146.db2.gz QAMMSTOICODLJO-OAHLLOKOSA-N 1 0 307.394 0.102 50 0 DCAARO C[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)C(=O)N1CCOCC1 ZINC000072276705 396128983 /nfs/dbraw/zinc/12/89/83/396128983.db2.gz BFAXVJPOEWNTIH-KBPBESRZSA-N 1 0 319.409 0.282 50 0 DCAARO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000075606041 396182399 /nfs/dbraw/zinc/18/23/99/396182399.db2.gz YZCPHROAXRJJSM-STQMWFEESA-N 1 0 322.409 0.404 50 0 DCAARO NC(=O)CN1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000178162364 396190410 /nfs/dbraw/zinc/19/04/10/396190410.db2.gz ODPYDAGNIAUVCK-AWEZNQCLSA-N 1 0 322.453 0.271 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C)CC1 ZINC000076056667 396195210 /nfs/dbraw/zinc/19/52/10/396195210.db2.gz QWLHFSVJICFTCZ-HOCLYGCPSA-N 1 0 322.453 0.093 50 0 DCAARO C[C@H](C[NH+]1CCC(N2CCO[C@H](C)C2)CC1)C(=O)OCCO ZINC000078995948 396259408 /nfs/dbraw/zinc/25/94/08/396259408.db2.gz VUJICXWPYPGXSV-ZIAGYGMSSA-N 1 0 314.426 0.343 50 0 DCAARO COc1ccc(CCN(C)C[C@]2(O)C[NH2+]CCOC2)cc1OC ZINC000077323520 396218255 /nfs/dbraw/zinc/21/82/55/396218255.db2.gz YZXWQIMZXBNZJJ-QGZVFWFLSA-N 1 0 324.421 0.529 50 0 DCAARO O[C@@]1(C[NH2+]CCOCc2ccc(Cl)cc2)CNCCOC1 ZINC000077319352 396218795 /nfs/dbraw/zinc/21/87/95/396218795.db2.gz VCNJUUDEOKNOEY-HNNXBMFYSA-N 1 0 314.813 0.797 50 0 DCAARO Cn1ccnc1-c1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000077378043 396220414 /nfs/dbraw/zinc/22/04/14/396220414.db2.gz YSHGPPSUNWDCKA-ZIAGYGMSSA-N 1 0 300.362 0.540 50 0 DCAARO Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cnn1C ZINC000077489942 396224348 /nfs/dbraw/zinc/22/43/48/396224348.db2.gz SWZLSQCAFCXBHE-QGZVFWFLSA-N 1 0 320.437 0.925 50 0 DCAARO COc1ccnc(N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)n1 ZINC000077503796 396225183 /nfs/dbraw/zinc/22/51/83/396225183.db2.gz IHBLFLIKMGOKDD-OAHLLOKOSA-N 1 0 308.382 0.149 50 0 DCAARO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000186362619 396348577 /nfs/dbraw/zinc/34/85/77/396348577.db2.gz KTFIQFFVAMLIDZ-SNVBAGLBSA-N 1 0 305.300 0.433 50 0 DCAARO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000192025065 396428321 /nfs/dbraw/zinc/42/83/21/396428321.db2.gz BLHZNGPYENJQKG-SNVBAGLBSA-N 1 0 312.395 0.144 50 0 DCAARO COc1cccc2ncn(CC3(O)CC[NH+](C)CC3)c(=O)c21 ZINC000584890643 396633826 /nfs/dbraw/zinc/63/38/26/396633826.db2.gz HCONSDWJDCHPOD-UHFFFAOYSA-N 1 0 303.362 0.862 50 0 DCAARO Cc1cc(C[NH2+][C@H]2CCC(=O)N(CC(=O)N(C)C)CC2)ccn1 ZINC000584896710 396635611 /nfs/dbraw/zinc/63/56/11/396635611.db2.gz VQWLTVMDJIPXSQ-HNNXBMFYSA-N 1 0 318.421 0.949 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)N2CCC[C@@H](c3ccncn3)C2)CC1 ZINC000584899562 396636246 /nfs/dbraw/zinc/63/62/46/396636246.db2.gz WLWBCUYAYPQQJD-OAHLLOKOSA-N 1 0 317.437 0.820 50 0 DCAARO CC(C)C[N@@H+]1CCN(C(=O)c2cncc(O)c2)C[C@@H]1CCO ZINC000584901919 396637305 /nfs/dbraw/zinc/63/73/05/396637305.db2.gz QCCAYLPKAWCICO-AWEZNQCLSA-N 1 0 307.394 0.952 50 0 DCAARO CCCCNC(=O)[C@H](C)N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000585140774 396641504 /nfs/dbraw/zinc/64/15/04/396641504.db2.gz JJPWTNSGDLSSHQ-QWRGUYRKSA-N 1 0 308.382 0.982 50 0 DCAARO O=C(NC[C@H](O)c1ccc(F)cc1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000585136923 396641618 /nfs/dbraw/zinc/64/16/18/396641618.db2.gz YRAOHXSAQVGTEH-HOCLYGCPSA-N 1 0 321.352 0.874 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000330366458 159163880 /nfs/dbraw/zinc/16/38/80/159163880.db2.gz RFCGPDBTGUDPJJ-NSHDSACASA-N 1 0 301.416 0.266 50 0 DCAARO CCCS(=O)(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367655019 159349519 /nfs/dbraw/zinc/34/95/19/159349519.db2.gz BLIBNTBJEDSIFE-AWEZNQCLSA-N 1 0 303.472 0.686 50 0 DCAARO CC(C)[NH+]1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000044909691 415231958 /nfs/dbraw/zinc/23/19/58/415231958.db2.gz GHKNYCKZISMVEA-ZDUSSCGKSA-N 1 0 317.455 0.211 50 0 DCAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC000072138686 415411448 /nfs/dbraw/zinc/41/14/48/415411448.db2.gz DRSLPCNIQWKDIJ-CQSZACIVSA-N 1 0 304.394 0.778 50 0 DCAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000067489479 415379686 /nfs/dbraw/zinc/37/96/86/415379686.db2.gz MFZCDIPRVWUTFR-NSHDSACASA-N 1 0 310.398 0.355 50 0 DCAARO C[N@@H+]1CC[C@@](C)(CNC(=O)c2cc(CN3CCOCC3)on2)C1 ZINC000067563074 415380494 /nfs/dbraw/zinc/38/04/94/415380494.db2.gz MWLHCTZQWULJDB-INIZCTEOSA-N 1 0 322.409 0.578 50 0 DCAARO COc1ccc(O)cc1C[NH+]1CCC(CNC(=O)CO)CC1 ZINC000067833538 415385905 /nfs/dbraw/zinc/38/59/05/415385905.db2.gz YHWZXQGNVQOWHR-UHFFFAOYSA-N 1 0 308.378 0.721 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2ccncc2)CC[N@@H+]1C[C@@H](C)O ZINC000084736457 415498995 /nfs/dbraw/zinc/49/89/95/415498995.db2.gz FCYLWKNIXXQWKE-HIFRSBDPSA-N 1 0 306.410 0.797 50 0 DCAARO CCN1CCO[C@@H](C[NH2+]Cc2ccc(OCC(N)=O)cc2)C1 ZINC000075133665 415439026 /nfs/dbraw/zinc/43/90/26/415439026.db2.gz MKRSGMUTJXTBOM-HNNXBMFYSA-N 1 0 307.394 0.361 50 0 DCAARO Cn1ccnc1CN1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000075131356 415439646 /nfs/dbraw/zinc/43/96/46/415439646.db2.gz ZXCLYOOJDPGGBH-AWEZNQCLSA-N 1 0 305.426 0.406 50 0 DCAARO Cc1nc2n(n1)C[C@H]([NH2+]CC(=O)NCCCOC(C)C)CC2 ZINC000075605842 415453487 /nfs/dbraw/zinc/45/34/87/415453487.db2.gz MCZZFBCYAVEZDO-CYBMUJFWSA-N 1 0 309.414 0.422 50 0 DCAARO Cc1cnc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000091932191 415539262 /nfs/dbraw/zinc/53/92/62/415539262.db2.gz QQCRXAQRQVYKQL-ZIAGYGMSSA-N 1 0 304.394 0.561 50 0 DCAARO Cn1c(Cn2cccn2)nnc1[C@@H]1CCC[N@H+](CCC(N)=O)C1 ZINC000095353082 415550446 /nfs/dbraw/zinc/55/04/46/415550446.db2.gz VJAJEWSFUYECRC-GFCCVEGCSA-N 1 0 317.397 0.115 50 0 DCAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCCc2nc(COC)no2)C1 ZINC000095375564 415556639 /nfs/dbraw/zinc/55/66/39/415556639.db2.gz DCGNPZCDIJGROO-OAHLLOKOSA-N 1 0 310.398 0.997 50 0 DCAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1 ZINC000095380987 415557925 /nfs/dbraw/zinc/55/79/25/415557925.db2.gz ULXBMDWUTPRFJN-NSHDSACASA-N 1 0 307.398 0.131 50 0 DCAARO COc1cc(OC)nc(N2CCC([NH+]3CCC(O)CC3)CC2)n1 ZINC000095381001 415559475 /nfs/dbraw/zinc/55/94/75/415559475.db2.gz POAXYRXMAYVGHK-UHFFFAOYSA-N 1 0 322.409 0.919 50 0 DCAARO COC(=O)Cn1ncc2c1ncnc2N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000095982745 415567527 /nfs/dbraw/zinc/56/75/27/415567527.db2.gz OGAQZQPMILBQSQ-MNOVXSKESA-N 1 0 318.381 0.528 50 0 DCAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000097159497 415587877 /nfs/dbraw/zinc/58/78/77/415587877.db2.gz ZYDVUQDNALJZSU-ZBFHGGJFSA-N 1 0 308.426 0.853 50 0 DCAARO CC[C@H]1CN(CC(=O)NCc2ccccn2)CC[N@@H+]1C[C@H](C)O ZINC000106929227 415655043 /nfs/dbraw/zinc/65/50/43/415655043.db2.gz YJUXBNNVRDQYIJ-HOCLYGCPSA-N 1 0 320.437 0.475 50 0 DCAARO CSc1nccc(N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)n1 ZINC000107398655 415666841 /nfs/dbraw/zinc/66/68/41/415666841.db2.gz ZJXOWCKBGKYKFK-OAHLLOKOSA-N 1 0 321.450 0.989 50 0 DCAARO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C)cc(S(N)(=O)=O)c1C ZINC000125097109 415860071 /nfs/dbraw/zinc/86/00/71/415860071.db2.gz XPBICALHDYTHOX-SNVBAGLBSA-N 1 0 311.407 0.385 50 0 DCAARO CC(C)(C(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1)[NH+]1CCCC1 ZINC000299772603 416065391 /nfs/dbraw/zinc/06/53/91/416065391.db2.gz AAAMGDBIPLWKLJ-UONOGXRCSA-N 1 0 319.409 0.825 50 0 DCAARO O=C(CCc1cccnc1)NCc1nnc2n1CC[NH2+]CC2 ZINC000299765687 416065556 /nfs/dbraw/zinc/06/55/56/416065556.db2.gz QAPLTYSZCUYJOA-UHFFFAOYSA-N 1 0 300.366 0.068 50 0 DCAARO Cc1nc(C[N@@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)co1 ZINC000299778957 416067819 /nfs/dbraw/zinc/06/78/19/416067819.db2.gz SXINBCSUHKOWBF-UKMLZYKCSA-N 1 0 308.378 0.971 50 0 DCAARO CCn1nc(C)c(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000299802103 416071879 /nfs/dbraw/zinc/07/18/79/416071879.db2.gz XHKYNZYOJZIAGY-ZDUSSCGKSA-N 1 0 321.425 0.447 50 0 DCAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3[nH]nnc3C)cc2C1 ZINC000299799549 416072049 /nfs/dbraw/zinc/07/20/49/416072049.db2.gz RXPLXUPCSAWRGR-UHFFFAOYSA-N 1 0 317.397 0.855 50 0 DCAARO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000193240402 416314155 /nfs/dbraw/zinc/31/41/55/416314155.db2.gz BBRUBBHBCKQCHQ-NXEZZACHSA-N 1 0 308.354 0.696 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC000247437705 416332803 /nfs/dbraw/zinc/33/28/03/416332803.db2.gz ZLIBFPUUMJCMMN-VWYCJHECSA-N 1 0 311.348 0.440 50 0 DCAARO O=C(NC1CCS(=O)(=O)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252372168 416334596 /nfs/dbraw/zinc/33/45/96/416334596.db2.gz HISCHVSXBTYJSH-RTXFEEFZSA-N 1 0 300.424 0.601 50 0 DCAARO CC(C)(CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccc2c(c1)OCO2 ZINC000236695363 416328363 /nfs/dbraw/zinc/32/83/63/416328363.db2.gz HKEHHVVMOOIHOD-NWDGAFQWSA-N 1 0 306.362 0.532 50 0 DCAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cn2)n1 ZINC000237703453 416328526 /nfs/dbraw/zinc/32/85/26/416328526.db2.gz KGEDVKJAODJVEA-QWHCGFSZSA-N 1 0 301.350 0.545 50 0 DCAARO Cn1cc([C@]2(C)CN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CCO2)cn1 ZINC000237802965 416329044 /nfs/dbraw/zinc/32/90/44/416329044.db2.gz VRTAQQRMJMBREB-HOCLYGCPSA-N 1 0 318.421 0.884 50 0 DCAARO O=C(CN1CCOCC1=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000240886265 416330082 /nfs/dbraw/zinc/33/00/82/416330082.db2.gz IOIHDCILCKECRD-HIFRSBDPSA-N 1 0 321.421 0.321 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2ncc[nH]2)[C@H](C)C1 ZINC000241911204 416330245 /nfs/dbraw/zinc/33/02/45/416330245.db2.gz UAOBDCVLQCXGGF-VXGBXAGGSA-N 1 0 300.428 0.948 50 0 DCAARO COc1cccc(CCNC(=O)CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000244626657 416330420 /nfs/dbraw/zinc/33/04/20/416330420.db2.gz FQAROKSMTYDGPN-HNNXBMFYSA-N 1 0 305.422 0.990 50 0 DCAARO Nc1n[nH]c(CNC(=O)c2cc(F)ccc2OCCC[NH3+])n1 ZINC000426544720 416773426 /nfs/dbraw/zinc/77/34/26/416773426.db2.gz IDUQZYSAXRTBBN-UHFFFAOYSA-N 1 0 308.317 0.184 50 0 DCAARO CO[C@]12CCN(c3cc(C)[nH+]c(N)n3)[C@H]1C[C@H](OCCO)CC2 ZINC000426656940 416776680 /nfs/dbraw/zinc/77/66/80/416776680.db2.gz KUCWHTNSPJEABO-DVOMOZLQSA-N 1 0 322.409 0.893 50 0 DCAARO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408093321 417139686 /nfs/dbraw/zinc/13/96/86/417139686.db2.gz OBYSCACUJXYZJM-MYPMTAMASA-N 1 0 311.426 0.469 50 0 DCAARO CCOC(C[N@H+](CC)CCC(=O)N1CCN(C)CC1)OCC ZINC000408523321 417167906 /nfs/dbraw/zinc/16/79/06/417167906.db2.gz IREUCYUQFKSGLN-UHFFFAOYSA-N 1 0 315.458 0.872 50 0 DCAARO O=C(CN1C(=O)CCC1=O)N1CCC[C@@H](Oc2ccncc2)C1 ZINC000575605541 417538884 /nfs/dbraw/zinc/53/88/84/417538884.db2.gz KTWNIDHOSCUJTF-CYBMUJFWSA-N 1 0 317.345 0.600 50 0 DCAARO C[NH+](C)[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)C[C@@H]1O ZINC000647886490 418071039 /nfs/dbraw/zinc/07/10/39/418071039.db2.gz VDZZSOVLKQCSBI-STQMWFEESA-N 1 0 302.371 0.262 50 0 DCAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CCOC[C@H]2CO)c1 ZINC000299798765 229458014 /nfs/dbraw/zinc/45/80/14/229458014.db2.gz SJZYLJILVQWSLB-GFCCVEGCSA-N 1 0 324.377 0.256 50 0 DCAARO [NH3+]CCNC(=O)N1CCNC(=O)[C@H]1c1c(F)cccc1Cl ZINC000418290949 262273780 /nfs/dbraw/zinc/27/37/80/262273780.db2.gz AEWVBFMCBFLYLQ-LLVKDONJSA-N 1 0 314.748 0.620 50 0 DCAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000072282374 300315949 /nfs/dbraw/zinc/31/59/49/300315949.db2.gz CXARFAHOHLXJRA-WCQYABFASA-N 1 0 323.418 0.643 50 0 DCAARO O=C(CN1CCCCCC1=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082087605 331989910 /nfs/dbraw/zinc/98/99/10/331989910.db2.gz VCGIKDLAQRELAR-UHFFFAOYSA-N 1 0 305.382 0.005 50 0 DCAARO Cn1ccnc1CN1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000534592188 334294596 /nfs/dbraw/zinc/29/45/96/334294596.db2.gz WQWLQGARHLPDSE-AWEZNQCLSA-N 1 0 320.441 0.342 50 0 DCAARO NC(=O)c1csc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000534633659 334308377 /nfs/dbraw/zinc/30/83/77/334308377.db2.gz JABJZMXDGUPYBL-MRVPVSSYSA-N 1 0 303.409 0.125 50 0 DCAARO Cn1nc2cccc(S(=O)(=O)NC[C@H]3CCC[NH2+]C3)c2n1 ZINC000534638470 334310312 /nfs/dbraw/zinc/31/03/12/334310312.db2.gz FVPSSUJNUNJNIX-JTQLQIEISA-N 1 0 309.395 0.246 50 0 DCAARO O=S(=O)(Cc1cccc(Cl)c1)NC[C@@H]1C[NH2+]CCO1 ZINC000534655075 334313562 /nfs/dbraw/zinc/31/35/62/334313562.db2.gz OZHJLBMJGOGGOF-LBPRGKRZSA-N 1 0 304.799 0.748 50 0 DCAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000133341886 337383115 /nfs/dbraw/zinc/38/31/15/337383115.db2.gz UBRKSYXNUPNDCD-OLZOCXBDSA-N 1 0 319.409 0.752 50 0 DCAARO O=C(NCCOc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299749321 534379277 /nfs/dbraw/zinc/37/92/77/534379277.db2.gz JXWZQKCAMNFRKV-PWSUYJOCSA-N 1 0 318.295 0.923 50 0 DCAARO O=C(NCCc1ccc(Br)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299738378 534446428 /nfs/dbraw/zinc/44/64/28/534446428.db2.gz QARAYBWMYOKEMO-RYUDHWBXSA-N 1 0 313.195 0.831 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000156561081 522273505 /nfs/dbraw/zinc/27/35/05/522273505.db2.gz JCXOUKJELFCZEM-NXEZZACHSA-N 1 0 315.395 0.387 50 0 DCAARO CNS(=O)(=O)c1csc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000154134027 522314379 /nfs/dbraw/zinc/31/43/79/522314379.db2.gz PLGYMIPKUHJAEZ-IUCAKERBSA-N 1 0 317.436 0.479 50 0 DCAARO [NH3+]C[C@@H]1CCN(C(=O)Cc2csc(N3CCCNC3=O)n2)C1 ZINC000299739340 534686488 /nfs/dbraw/zinc/68/64/88/534686488.db2.gz NMCKROZHUNEZJE-JTQLQIEISA-N 1 0 323.422 0.413 50 0 DCAARO Cc1cccc([C@@H](CC(=O)N2CC[NH2+][C@@H](C)C2)NC(N)=O)c1 ZINC000299739380 534758431 /nfs/dbraw/zinc/75/84/31/534758431.db2.gz NUANDCLARUHJSG-GXTWGEPZSA-N 1 0 304.394 0.915 50 0 DCAARO Cc1nn(CC[NH2+]C[C@@]2(O)CNCCOC2)c(C)c1Cl ZINC000077518257 545678644 /nfs/dbraw/zinc/67/86/44/545678644.db2.gz PJQPCWORWXKWIZ-CYBMUJFWSA-N 1 0 302.806 0.094 50 0 DCAARO COc1cccc(C(=O)N2CCN(C(=O)[C@H](C)[NH+](C)C)CC2)c1 ZINC000584907696 546302581 /nfs/dbraw/zinc/30/25/81/546302581.db2.gz DEDJBXDWGNFIOX-ZDUSSCGKSA-N 1 0 319.405 0.930 50 0 DCAARO NC(=O)c1ccc(CNC(=O)N2CCO[C@@H](CC[NH3+])C2)cc1 ZINC000670434576 547087899 /nfs/dbraw/zinc/08/78/99/547087899.db2.gz BGDLJTXBXNYDKI-ZDUSSCGKSA-N 1 0 306.366 0.045 50 0 DCAARO CCCS(=O)(=O)NC[C@@H](C)[NH2+]CCn1cnc(C)c1C ZINC000670436989 547089054 /nfs/dbraw/zinc/08/90/54/547089054.db2.gz DOEVTSJCSFYIGF-LLVKDONJSA-N 1 0 302.444 0.807 50 0 DCAARO CC[NH+]1CCN(CC(=O)NCCn2nc(C)c(C)c2C)CC1 ZINC000670441465 547092731 /nfs/dbraw/zinc/09/27/31/547092731.db2.gz LPSXPKZLLAICNG-UHFFFAOYSA-N 1 0 307.442 0.562 50 0 DCAARO CN(C)C(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000670465090 547098441 /nfs/dbraw/zinc/09/84/41/547098441.db2.gz SXDGQPCMNJQTTL-QLFBSQMISA-N 1 0 305.422 0.821 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccccc1-n1cnnc1 ZINC000670463127 547098778 /nfs/dbraw/zinc/09/87/78/547098778.db2.gz NOEZUXLKUSEIRX-ZFWWWQNUSA-N 1 0 315.377 0.716 50 0 DCAARO CO[C@H]1CC[N@H+](Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)C1 ZINC000670465560 547099097 /nfs/dbraw/zinc/09/90/97/547099097.db2.gz LKOJLVFEARDBKV-LBPRGKRZSA-N 1 0 301.346 0.848 50 0 DCAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCCCn2ccccc2=O)C1 ZINC000670467496 547100027 /nfs/dbraw/zinc/10/00/27/547100027.db2.gz UDIGVWRGMLTWAO-HNNXBMFYSA-N 1 0 321.421 0.854 50 0 DCAARO Cn1cc(N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2=O)cn1 ZINC000170046714 563902992 /nfs/dbraw/zinc/90/29/92/563902992.db2.gz QMDPVZNKAIYRQH-UHFFFAOYSA-N 1 0 313.361 0.368 50 0 DCAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCCC(=O)N2C)CC1 ZINC000169792845 664561706 /nfs/dbraw/zinc/56/17/06/664561706.db2.gz DIISHYPXRVODHB-HNNXBMFYSA-N 1 0 324.469 0.531 50 0 DCAARO Cc1nc2c(c(NC[C@@H]3CCS(=O)(=O)C3)n1)CC[NH2+]CC2 ZINC000065385554 685062775 /nfs/dbraw/zinc/06/27/75/685062775.db2.gz HBZFCDMYJONNRH-NSHDSACASA-N 1 0 310.423 0.320 50 0 DCAARO O=C(CN1C[C@H]2C[NH2+]C[C@@]2(CO)C1)NC1CCCCCCC1 ZINC001772703513 1157842721 /nfs/dbraw/zinc/84/27/21/1157842721.db2.gz XRQQICFPFOHIIY-PBHICJAKSA-N 1 0 309.454 0.729 50 0 DCAARO Cc1cc(=O)n(CC[N@@H+](C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c(=O)[nH]1 ZINC001704303603 1179967033 /nfs/dbraw/zinc/96/70/33/1179967033.db2.gz LJYMNADXDNUNHL-FRRDWIJNSA-N 1 0 320.393 0.104 50 0 DCAARO O=C1N[C@@H]2COC[C@H]1C[N@@H+](C1CCN(Cc3ccco3)CC1)C2 ZINC001704305485 1179967843 /nfs/dbraw/zinc/96/78/43/1179967843.db2.gz KARWNCWOSJDTJY-KGLIPLIRSA-N 1 0 319.405 0.691 50 0 DCAARO CC(C)=CC[C@]1(C(=O)N2CCN(CCO)CC2)C[C@H]2CC[C@@H]1[NH2+]2 ZINC001704311099 1179968862 /nfs/dbraw/zinc/96/88/62/1179968862.db2.gz YCEDPQVFRIEXHD-RYRKJORJSA-N 1 0 321.465 0.990 50 0 DCAARO COc1cc(OC)nc(N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)n1 ZINC001704328694 1179973489 /nfs/dbraw/zinc/97/34/89/1179973489.db2.gz MXUXMNPHWRPSCE-MLGOLLRUSA-N 1 0 322.409 0.777 50 0 DCAARO CNC(=O)c1cccnc1N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC001704337585 1179977465 /nfs/dbraw/zinc/97/74/65/1179977465.db2.gz AQKDYNFTUILRIT-UHFFFAOYSA-N 1 0 317.437 0.657 50 0 DCAARO COc1cc(N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)nc(N)n1 ZINC001704337786 1179977553 /nfs/dbraw/zinc/97/75/53/1179977553.db2.gz ZMHZFEPKNGHFAE-IAQYHMDHSA-N 1 0 307.398 0.350 50 0 DCAARO CS(=O)(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000824864457 758789175 /nfs/dbraw/zinc/78/91/75/758789175.db2.gz MDAPGAGIAGUYLD-OGVSOVDVSA-N 1 0 321.446 0.103 50 0 DCAARO Cc1n[nH]c(C)c1CC(=O)NCCC[N@@H+]1CCCC[C@@H]1CO ZINC000828710816 759071907 /nfs/dbraw/zinc/07/19/07/759071907.db2.gz JTABTZNFXVWWKM-CQSZACIVSA-N 1 0 308.426 0.922 50 0 DCAARO Cn1ncc2c1nc(NCCC[N@@H+]1CCCC[C@H]1CO)nc2N ZINC000828710842 759072796 /nfs/dbraw/zinc/07/27/96/759072796.db2.gz NNWWKEGADKWEBU-NSHDSACASA-N 1 0 319.413 0.594 50 0 DCAARO COCCN1C[C@H](C(=O)NC2(C[NH+]3CCCCC3)CC2)CC1=O ZINC000952869813 768926471 /nfs/dbraw/zinc/92/64/71/768926471.db2.gz PPFOBMYLHXDPAT-CQSZACIVSA-N 1 0 323.437 0.616 50 0 DCAARO CS(=O)(=O)N1CC(CN2C[C@@H](C[NH3+])Cc3ccccc32)C1 ZINC000952878203 768942065 /nfs/dbraw/zinc/94/20/65/768942065.db2.gz ZWFDORZMBIZHIW-GFCCVEGCSA-N 1 0 309.435 0.515 50 0 DCAARO CCCN(CCC)C(=O)CN1CCOC[C@]1(CO)C[NH+](C)C ZINC000952883791 768951784 /nfs/dbraw/zinc/95/17/84/768951784.db2.gz PZJGESRZBQBFBN-MRXNPFEDSA-N 1 0 315.458 0.260 50 0 DCAARO C[N@@H+]1CCCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1 ZINC001529113389 1014498788 /nfs/dbraw/zinc/49/87/88/1014498788.db2.gz XUYMSYLNWXFDPJ-CVEARBPZSA-N 1 0 317.389 0.407 50 0 DCAARO C[NH+](C)CCc1nnc(NC(=O)CCCn2cncn2)s1 ZINC001529190931 1014517457 /nfs/dbraw/zinc/51/74/57/1014517457.db2.gz POEFWBIGYNRAPF-UHFFFAOYSA-N 1 0 309.399 0.653 50 0 DCAARO CN1C[C@H](C(=O)Nc2ccnn2C2CC[NH+](C)CC2)CCC1=O ZINC001506405013 1017255377 /nfs/dbraw/zinc/25/53/77/1017255377.db2.gz HIYRQKTWZJSBOV-GFCCVEGCSA-N 1 0 319.409 0.957 50 0 DCAARO COCC[N@@H+]1CC[C@H](CN(C)c2cc3nncn3c(N)n2)C1 ZINC001506402072 1017256091 /nfs/dbraw/zinc/25/60/91/1017256091.db2.gz IHPRRADKISUIIQ-LLVKDONJSA-N 1 0 305.386 0.111 50 0 DCAARO Cn1ccnc1-c1ccc(NC[C@H]2C[N@H+](C)CCN2C)nn1 ZINC001506417788 1017264095 /nfs/dbraw/zinc/26/40/95/1017264095.db2.gz LDMZJMQXSBFDPZ-LBPRGKRZSA-N 1 0 301.398 0.535 50 0 DCAARO COCc1noc(CCNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000095512738 185376341 /nfs/dbraw/zinc/37/63/41/185376341.db2.gz XXNOFZVKPOQORL-GFCCVEGCSA-N 1 0 310.398 0.995 50 0 DCAARO O=C(c1ccc(-n2cnnn2)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067983420 190741611 /nfs/dbraw/zinc/74/16/11/190741611.db2.gz YXBCAOAAVPRZRE-MRXNPFEDSA-N 1 0 312.377 0.878 50 0 DCAARO c1c(CN2CCN(c3cnccn3)CC2)nn2c1C[NH2+]CCC2 ZINC000072138680 191048331 /nfs/dbraw/zinc/04/83/31/191048331.db2.gz UDFLRDZTRMHDPH-UHFFFAOYSA-N 1 0 313.409 0.489 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)c1cn2c(n1)CNCC2 ZINC000072149250 191054251 /nfs/dbraw/zinc/05/42/51/191054251.db2.gz OXGJTESGJQPEDA-UHFFFAOYSA-N 1 0 300.366 0.532 50 0 DCAARO COc1cccc(CN2CCN(C[C@H]3CC[NH2+]C3)CC2=O)c1 ZINC000072153817 191057365 /nfs/dbraw/zinc/05/73/65/191057365.db2.gz CXNHJJORPLWNFT-HNNXBMFYSA-N 1 0 303.406 0.949 50 0 DCAARO O=C(c1ccc2c(c1)CCO2)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072158153 191060188 /nfs/dbraw/zinc/06/01/88/191060188.db2.gz IIDCNHMJSJMMIF-KRWDZBQOSA-N 1 0 318.373 0.453 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)NCCc1noc(-c2ccccc2)n1 ZINC000072163532 191064013 /nfs/dbraw/zinc/06/40/13/191064013.db2.gz HVZYZTRZUSOSFU-CYBMUJFWSA-N 1 0 316.361 0.774 50 0 DCAARO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000237457650 186292218 /nfs/dbraw/zinc/29/22/18/186292218.db2.gz FUCAHOZTYKKQMG-GXSJLCMTSA-N 1 0 300.355 0.548 50 0 DCAARO O[C@]1(CNCc2csc(-c3ncccn3)n2)CCC[NH2+]C1 ZINC000072411935 191155653 /nfs/dbraw/zinc/15/56/53/191155653.db2.gz GAYXNTYJAINQPG-CQSZACIVSA-N 1 0 305.407 0.804 50 0 DCAARO CCc1cc(N2CCN(C[C@]3(O)CCC[NH2+]C3)CC2)ncn1 ZINC000072421577 191158725 /nfs/dbraw/zinc/15/87/25/191158725.db2.gz LGRFQQXCFJKPIL-INIZCTEOSA-N 1 0 305.426 0.276 50 0 DCAARO c1cn(CCN2CCOCC2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072474854 191177058 /nfs/dbraw/zinc/17/70/58/191177058.db2.gz JENAVCYXMJNCTH-UHFFFAOYSA-N 1 0 302.382 0.182 50 0 DCAARO C[NH2+]CC1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000237362363 202244305 /nfs/dbraw/zinc/24/43/05/202244305.db2.gz VPCYALHMDBHLLD-UHFFFAOYSA-N 1 0 306.819 0.694 50 0 DCAARO C[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000237619767 202307701 /nfs/dbraw/zinc/30/77/01/202307701.db2.gz ZMFRRAJENAZYGT-WDEREUQCSA-N 1 0 314.382 0.808 50 0 DCAARO Cc1noc(CN2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000237689010 202329046 /nfs/dbraw/zinc/32/90/46/202329046.db2.gz AQONSKZPZJWYNI-OLZOCXBDSA-N 1 0 307.398 0.540 50 0 DCAARO CC(C)[C@H]1C[N@H+](Cc2cccnc2N)C[C@@H]1NC(=O)CCO ZINC000091351165 193044823 /nfs/dbraw/zinc/04/48/23/193044823.db2.gz CPPGYUGTNDLESH-KGLIPLIRSA-N 1 0 306.410 0.619 50 0 DCAARO CC(C)c1noc(CCNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000091409841 193052524 /nfs/dbraw/zinc/05/25/24/193052524.db2.gz QAHSEWUPDNDUOZ-NSHDSACASA-N 1 0 323.397 0.049 50 0 DCAARO CC[N@H+](CCO)C[C@@H]1CN(Cc2c(C)nn(C)c2C)C[C@@H]1CO ZINC000091434479 193054629 /nfs/dbraw/zinc/05/46/29/193054629.db2.gz GACDMDMWHDVKGV-HZPDHXFCSA-N 1 0 324.469 0.391 50 0 DCAARO CCc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)ccn1 ZINC000091563193 193073981 /nfs/dbraw/zinc/07/39/81/193073981.db2.gz VWGJDPKTNITERY-HUUCEWRRSA-N 1 0 321.421 0.249 50 0 DCAARO COc1cccc(-c2cc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3O)[nH]n2)c1 ZINC000091504282 193066009 /nfs/dbraw/zinc/06/60/09/193066009.db2.gz FGOPZFZTHXYKSO-HUUCEWRRSA-N 1 0 316.361 0.538 50 0 DCAARO CCc1ncc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CC)C2)cn1 ZINC000091725890 193098517 /nfs/dbraw/zinc/09/85/17/193098517.db2.gz WQODVRHBOPFTFI-ZIAGYGMSSA-N 1 0 306.410 0.671 50 0 DCAARO O=C1N(CCO)CCC[C@]12CC[N@H+](Cc1nnc(C3CC3)o1)C2 ZINC000091620311 193080288 /nfs/dbraw/zinc/08/02/88/193080288.db2.gz XQPPWRSKXDHZGH-MRXNPFEDSA-N 1 0 320.393 0.754 50 0 DCAARO O=C1N(CCO)CCC[C@@]12CC[N@H+](Cc1nnc(C3CC3)o1)C2 ZINC000091620309 193080968 /nfs/dbraw/zinc/08/09/68/193080968.db2.gz XQPPWRSKXDHZGH-INIZCTEOSA-N 1 0 320.393 0.754 50 0 DCAARO C[C@@H]([NH3+])C(=O)N1CCn2nc(CCC(=O)N3CCCC3)cc2C1 ZINC000091626358 193081883 /nfs/dbraw/zinc/08/18/83/193081883.db2.gz GODAQXGIWIJSCD-GFCCVEGCSA-N 1 0 319.409 0.128 50 0 DCAARO C[N@H+](CCO)C[C@@H]1CN(c2ncnc3sccc32)C[C@@H]1CO ZINC000091849256 193118217 /nfs/dbraw/zinc/11/82/17/193118217.db2.gz OUQOANWNICFVTL-VXGBXAGGSA-N 1 0 322.434 0.660 50 0 DCAARO CNC(=O)c1cccnc1N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091876700 193122353 /nfs/dbraw/zinc/12/23/53/193122353.db2.gz MHOVEPMMPZQZKA-ZIAGYGMSSA-N 1 0 318.421 0.582 50 0 DCAARO C[C@@H](c1nn[nH]n1)n1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091935045 193129146 /nfs/dbraw/zinc/12/91/46/193129146.db2.gz KCIFQXRZJJYXDW-VIFPVBQESA-N 1 0 314.357 0.189 50 0 DCAARO Cc1nc[nH]c1C(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000092022823 193143428 /nfs/dbraw/zinc/14/34/28/193143428.db2.gz UHXCVDLGOJZGPN-HNNXBMFYSA-N 1 0 305.382 0.145 50 0 DCAARO COc1ccc(C)cc1NC(=O)CCN1CC[NH+](CCO)CC1 ZINC000019841619 182155580 /nfs/dbraw/zinc/15/55/80/182155580.db2.gz SKMSAZWNQMRDOU-UHFFFAOYSA-N 1 0 321.421 0.942 50 0 DCAARO Cc1ccn(CCn2ncc(N3CCC[N@@H+](C)CC3)cc2=O)n1 ZINC000020661272 182242281 /nfs/dbraw/zinc/24/22/81/182242281.db2.gz SAXSNIJKWJIILG-UHFFFAOYSA-N 1 0 316.409 0.590 50 0 DCAARO COc1cccc(N2C[C@@H](C(=O)N3CC[NH2+]CC3)CC2=O)c1 ZINC000020745721 182245844 /nfs/dbraw/zinc/24/58/44/182245844.db2.gz FUUHGRQISVZCTI-LBPRGKRZSA-N 1 0 303.362 0.480 50 0 DCAARO COc1cccc(OCCOC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000022466221 182323163 /nfs/dbraw/zinc/32/31/63/182323163.db2.gz VHZGCYXOTSJNQD-HNNXBMFYSA-N 1 0 324.421 0.699 50 0 DCAARO COc1ccc(COC[C@@H](O)C[NH2+]CCN(C)C)cc1OC ZINC000022876218 182339190 /nfs/dbraw/zinc/33/91/90/182339190.db2.gz YBGFZEAJZAUJKC-AWEZNQCLSA-N 1 0 312.410 0.733 50 0 DCAARO OC[C@@H](O)C[NH+]1CCC(CO)(CCOc2ccccc2)CC1 ZINC000023312190 182356619 /nfs/dbraw/zinc/35/66/19/182356619.db2.gz GYQDWMRLYGQCDG-HNNXBMFYSA-N 1 0 309.406 0.883 50 0 DCAARO C[C@H](CNC(=O)Cn1nc2ccccn2c1=O)[NH+]1CCCC1 ZINC000042508198 183277570 /nfs/dbraw/zinc/27/75/70/183277570.db2.gz IIBVJZCMEBVVQU-GFCCVEGCSA-N 1 0 303.366 0.097 50 0 DCAARO C[N@@H+]1C[C@H](NC(=O)CCNC(=O)c2ccc(F)cc2)C[C@H]1CO ZINC000065393980 184334746 /nfs/dbraw/zinc/33/47/46/184334746.db2.gz JZSCZAYQXHLUFO-KGLIPLIRSA-N 1 0 323.368 0.127 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)Cn1ccnc1 ZINC000065474809 184351217 /nfs/dbraw/zinc/35/12/17/184351217.db2.gz JTWXLXPHEORLIN-CYBMUJFWSA-N 1 0 318.425 0.940 50 0 DCAARO CCn1c(CC2CC[NH2+]CC2)nn(C[C@H]2COCCO2)c1=O ZINC000065397591 184336070 /nfs/dbraw/zinc/33/60/70/184336070.db2.gz CHXNKDKTFFKTBA-ZDUSSCGKSA-N 1 0 310.398 0.022 50 0 DCAARO COC(=O)Cc1cnc(NC(=O)C[NH2+]Cc2ccncc2)s1 ZINC000065406424 184338776 /nfs/dbraw/zinc/33/87/76/184338776.db2.gz PDDBYRCLSHKMAO-UHFFFAOYSA-N 1 0 320.374 0.982 50 0 DCAARO OCC[NH+](CCO)C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434656 285255886 /nfs/dbraw/zinc/25/58/86/285255886.db2.gz OGICOODSYAEWNY-YYUOFMGYSA-N 1 0 313.438 0.619 50 0 DCAARO COc1ccccc1N1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000261596964 257237881 /nfs/dbraw/zinc/23/78/81/257237881.db2.gz AKAUWSCELYSWJS-QWHCGFSZSA-N 1 0 305.378 0.067 50 0 DCAARO Cc1nn(C)c(C(=O)N2CCOC3(CC[NH2+]CC3)C2)c1Cl ZINC000426700054 257244693 /nfs/dbraw/zinc/24/46/93/257244693.db2.gz ODQLMVYUUYVULE-UHFFFAOYSA-N 1 0 312.801 0.977 50 0 DCAARO COc1ccc(CN2CCn3nc(CNC(C)=O)cc3C2)cn1 ZINC000426574843 257246296 /nfs/dbraw/zinc/24/62/96/257246296.db2.gz VOOOFYPFYOKQII-UHFFFAOYSA-N 1 0 315.377 0.939 50 0 DCAARO COc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3O)cc1OCC[NH3+] ZINC000426442492 257249936 /nfs/dbraw/zinc/24/99/36/257249936.db2.gz FPYUXVLECWTGOW-VIKVFOODSA-N 1 0 320.389 0.876 50 0 DCAARO Cn1cccc(C[N@@H+]2CCC[C@H](c3ccn(CCO)n3)C2)c1=O ZINC000426405533 257251872 /nfs/dbraw/zinc/25/18/72/257251872.db2.gz MSLNEXBJNTXXSJ-AWEZNQCLSA-N 1 0 316.405 0.954 50 0 DCAARO CC(C)CN1CCO[C@@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000252486335 257258290 /nfs/dbraw/zinc/25/82/90/257258290.db2.gz IQMCKIMIHKLMBS-KBPBESRZSA-N 1 0 304.456 0.510 50 0 DCAARO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccnn3CC(F)F)[C@@H]2C1 ZINC000285645307 131189808 /nfs/dbraw/zinc/18/98/08/131189808.db2.gz FPOHVOXPVDCJRJ-NEPJUHHUSA-N 1 0 314.336 0.693 50 0 DCAARO CC(C)[C@H](CNC(=O)Cn1nnc2ccccc2c1=O)[NH+](C)C ZINC000012949334 395688274 /nfs/dbraw/zinc/68/82/74/395688274.db2.gz AHCWFNRUWGYVMU-AWEZNQCLSA-N 1 0 317.393 0.494 50 0 DCAARO O=S1(=O)C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@H](O)C1 ZINC000013732919 395688981 /nfs/dbraw/zinc/68/89/81/395688981.db2.gz ADFGMMYADXUAPZ-JKSUJKDBSA-N 1 0 324.446 0.399 50 0 DCAARO CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000000296187 395680159 /nfs/dbraw/zinc/68/01/59/395680159.db2.gz LMFKRLGHEKVMNT-UZMCECQYSA-N 1 0 313.394 0.327 50 0 biogenic,in-vitro DCAARO C[N@H+](CCO)C[C@@H]1COCCN1C(=O)Cc1ccc(F)cc1 ZINC000085470018 395700897 /nfs/dbraw/zinc/70/08/97/395700897.db2.gz KWDCCHFVVSSRED-OAHLLOKOSA-N 1 0 310.369 0.520 50 0 DCAARO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)NC(=O)NC1CC1 ZINC000089819069 395715364 /nfs/dbraw/zinc/71/53/64/395715364.db2.gz HTTHKGQFOHLDPN-AWEZNQCLSA-N 1 0 308.426 0.925 50 0 DCAARO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(c2ccccc2)CC1 ZINC000039514920 395732179 /nfs/dbraw/zinc/73/21/79/395732179.db2.gz RJWAPSCNBQCANX-INIZCTEOSA-N 1 0 303.406 0.792 50 0 DCAARO COCCN1C[C@]2(CCC[N@H+](CC(=O)N(C)C)C2)CCC1=O ZINC000091808636 395727696 /nfs/dbraw/zinc/72/76/96/395727696.db2.gz PVADAXWEYGFNCV-MRXNPFEDSA-N 1 0 311.426 0.426 50 0 DCAARO CCN1C(=O)N[C@@](C)([C@@H]2CCC[N@H+](CCn3cncn3)C2)C1=O ZINC000095402603 395740379 /nfs/dbraw/zinc/74/03/79/395740379.db2.gz HTRKHEFNVIMKFV-DOMZBBRYSA-N 1 0 320.397 0.321 50 0 DCAARO CS(=O)(=O)NCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000095432368 395741037 /nfs/dbraw/zinc/74/10/37/395741037.db2.gz BGPPRHXOMFBJTR-TZMCWYRMSA-N 1 0 301.456 0.484 50 0 DCAARO CS(=O)(=O)NCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000095432369 395741120 /nfs/dbraw/zinc/74/11/20/395741120.db2.gz BGPPRHXOMFBJTR-OCCSQVGLSA-N 1 0 301.456 0.484 50 0 DCAARO Cn1ncc(OC[C@@H](O)C[NH+]2CCCCC2)c(Cl)c1=O ZINC000096028158 395741145 /nfs/dbraw/zinc/74/11/45/395741145.db2.gz NJGIMLYDFQZRPV-JTQLQIEISA-N 1 0 301.774 0.659 50 0 DCAARO C[C@H](CNS(=O)(=O)c1cccnc1)CN1CC[NH+](C)CC1 ZINC000096428374 395753489 /nfs/dbraw/zinc/75/34/89/395753489.db2.gz OQLGBWOGNUNJJA-CYBMUJFWSA-N 1 0 312.439 0.243 50 0 DCAARO O=C(Cc1cc[nH]n1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000097081932 395755306 /nfs/dbraw/zinc/75/53/06/395755306.db2.gz ORGCGZRHJXMOOC-MRXNPFEDSA-N 1 0 314.389 0.835 50 0 DCAARO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)C(=O)N1CCOCC1)CC2 ZINC000097199367 395755637 /nfs/dbraw/zinc/75/56/37/395755637.db2.gz SAPIWCMTPQYRGY-OLZOCXBDSA-N 1 0 321.425 0.553 50 0 DCAARO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2nccn(C)c2=O)C1 ZINC000097375156 395757434 /nfs/dbraw/zinc/75/74/34/395757434.db2.gz FOAFFPAUSKXQFU-GFCCVEGCSA-N 1 0 307.398 0.976 50 0 DCAARO C[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)C[NH+]1CCCC1 ZINC000048731050 395823350 /nfs/dbraw/zinc/82/33/50/395823350.db2.gz ZNULVOYKFGYHRF-RYUDHWBXSA-N 1 0 303.428 0.205 50 0 DCAARO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1cscn1 ZINC000219628312 395846333 /nfs/dbraw/zinc/84/63/33/395846333.db2.gz PGYJNQHSNGRPKW-OLZOCXBDSA-N 1 0 313.423 0.538 50 0 DCAARO CN(CCN1CCOCC1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219968677 395846961 /nfs/dbraw/zinc/84/69/61/395846961.db2.gz PLFJKUWOTFVAHS-UHFFFAOYSA-N 1 0 306.414 0.032 50 0 DCAARO Cc1nc(CC2CCN(C(=O)C[N@@H+]3CCC[C@H](O)C3)CC2)no1 ZINC000220598140 395849511 /nfs/dbraw/zinc/84/95/11/395849511.db2.gz YYGDWQLKRMQFDN-AWEZNQCLSA-N 1 0 322.409 0.616 50 0 DCAARO Cc1nnc(CN(C)C(=O)CC[C@H](C)[NH+]2CCN(C)CC2)o1 ZINC000221223023 395850240 /nfs/dbraw/zinc/85/02/40/395850240.db2.gz IBDGTHTVOFQMQR-LBPRGKRZSA-N 1 0 309.414 0.753 50 0 DCAARO CN(C)Cc1nc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)cs1 ZINC000222385853 395852639 /nfs/dbraw/zinc/85/26/39/395852639.db2.gz NLFRCHJJWJWLEV-GJQVQUKXSA-N 1 0 324.450 0.652 50 0 DCAARO Cc1noc(C)c1C(=O)N[C@@H]1COCC[C@@H]1OCC[NH+](C)C ZINC000223618969 395855963 /nfs/dbraw/zinc/85/59/63/395855963.db2.gz KXGSTHAPUWYNAD-OLZOCXBDSA-N 1 0 311.382 0.757 50 0 DCAARO COCC[N@H+](C)C[C@H]1CCCN1c1cn[nH]c(=O)c1Cl ZINC000225506415 395861756 /nfs/dbraw/zinc/86/17/56/395861756.db2.gz VXWOIECKQHIJFU-SNVBAGLBSA-N 1 0 300.790 0.970 50 0 DCAARO NC(=O)[C@H]1CC[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000052942575 395873639 /nfs/dbraw/zinc/87/36/39/395873639.db2.gz MIAJHDXMCCTJRD-AAEUAGOBSA-N 1 0 303.362 0.434 50 0 DCAARO CCN1CCO[C@@H](C[NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000229559733 395875398 /nfs/dbraw/zinc/87/53/98/395875398.db2.gz QYQIKTMZMVCDBE-ZBFHGGJFSA-N 1 0 312.385 0.876 50 0 DCAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1nccn1C ZINC000252517352 396022569 /nfs/dbraw/zinc/02/25/69/396022569.db2.gz GKGDHGPPHPNFDR-VXGBXAGGSA-N 1 0 300.428 0.570 50 0 DCAARO COCCn1nc(C(=O)NCc2c[nH]nc2C)c2c1CC[NH2+]C2 ZINC000253409723 396027352 /nfs/dbraw/zinc/02/73/52/396027352.db2.gz MHQLNENQDLLOPC-UHFFFAOYSA-N 1 0 318.381 0.137 50 0 DCAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)C(C)C)[nH+]1 ZINC000067601830 396029459 /nfs/dbraw/zinc/02/94/59/396029459.db2.gz XIENONAIXROVNQ-UHFFFAOYSA-N 1 0 307.398 0.806 50 0 DCAARO COc1cccc(OC)c1C(=O)N1C[C@@H](CO)[C@H]([NH+](C)C)C1 ZINC000257186228 396034387 /nfs/dbraw/zinc/03/43/87/396034387.db2.gz KFERMEGUODNCDA-NWDGAFQWSA-N 1 0 308.378 0.698 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cn(C)c2cc(OC)ccc12 ZINC000067852195 396036226 /nfs/dbraw/zinc/03/62/26/396036226.db2.gz JQIDYRFGAHJELF-LRDDRELGSA-N 1 0 316.405 0.835 50 0 DCAARO NC(=O)[C@H]1CCCN(CC(=O)N=c2[nH]c3ccccc3[nH]2)C1 ZINC000067871809 396036886 /nfs/dbraw/zinc/03/68/86/396036886.db2.gz RYJOGHVFZZWFSX-JTQLQIEISA-N 1 0 301.350 0.121 50 0 DCAARO O=C(CC[NH+]1CCN(CCO)CC1)NCCc1ccccc1 ZINC000069656377 396086008 /nfs/dbraw/zinc/08/60/08/396086008.db2.gz PYJGAFRWCZWFDZ-UHFFFAOYSA-N 1 0 305.422 0.345 50 0 DCAARO C[C@H](C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1)n1ccnc1 ZINC000069770364 396089368 /nfs/dbraw/zinc/08/93/68/396089368.db2.gz BHIJCXRBSFKNMR-ZIAGYGMSSA-N 1 0 308.426 0.995 50 0 DCAARO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)Cn2cc(C)cn2)CC1 ZINC000069814989 396091300 /nfs/dbraw/zinc/09/13/00/396091300.db2.gz QFUQHHSVHFJNSU-CABCVRRESA-N 1 0 307.442 0.722 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000070015584 396097985 /nfs/dbraw/zinc/09/79/85/396097985.db2.gz QOHOXMHULABZFG-LBPRGKRZSA-N 1 0 301.416 0.024 50 0 DCAARO CCC(=O)N1CCC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000071817069 396116243 /nfs/dbraw/zinc/11/62/43/396116243.db2.gz GFARUYMATVWDRA-UHFFFAOYSA-N 1 0 324.425 0.651 50 0 DCAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000071825186 396116921 /nfs/dbraw/zinc/11/69/21/396116921.db2.gz LHVVCKKGSLSRFA-LBPRGKRZSA-N 1 0 301.412 0.017 50 0 DCAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cccn2)C[C@H](C)O1 ZINC000071875537 396120144 /nfs/dbraw/zinc/12/01/44/396120144.db2.gz ZQUQDFXKUSWTAW-QLFBSQMISA-N 1 0 306.410 0.983 50 0 DCAARO O[C@@H](C[NH2+]C[C@H]1CCCN1c1cccnn1)Cn1cccn1 ZINC000072267399 396128153 /nfs/dbraw/zinc/12/81/53/396128153.db2.gz JUNUMULWZGFFBE-KGLIPLIRSA-N 1 0 302.382 0.293 50 0 DCAARO CC(=O)N1CCC[C@H](S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000072287945 396129869 /nfs/dbraw/zinc/12/98/69/396129869.db2.gz FUUURUZFUUCUOH-KGLIPLIRSA-N 1 0 315.439 0.107 50 0 DCAARO O=C(c1ccc(=O)[nH]n1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000069326502 396074757 /nfs/dbraw/zinc/07/47/57/396074757.db2.gz WPRKZFQOPVRWDK-LBPRGKRZSA-N 1 0 306.366 0.509 50 0 DCAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000069489697 396080595 /nfs/dbraw/zinc/08/05/95/396080595.db2.gz GWQRXPVLKMABBF-VXGBXAGGSA-N 1 0 305.382 0.328 50 0 DCAARO CCn1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000076058698 396195150 /nfs/dbraw/zinc/19/51/50/396195150.db2.gz HSYBLVFYODAFGQ-WCQYABFASA-N 1 0 300.428 0.910 50 0 DCAARO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@@H](C)S1 ZINC000076087030 396195783 /nfs/dbraw/zinc/19/57/83/396195783.db2.gz COGPWVPAVZTIRY-JHJVBQTASA-N 1 0 300.472 0.768 50 0 DCAARO C[C@@]1([C@@H]2CCC[N@H+](CCc3ccncc3)C2)NC(=O)NC1=O ZINC000076059287 396195830 /nfs/dbraw/zinc/19/58/30/396195830.db2.gz FFRUIKUBULLSJD-CJNGLKHVSA-N 1 0 302.378 0.934 50 0 DCAARO Cn1cc(CCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000078788840 396254777 /nfs/dbraw/zinc/25/47/77/396254777.db2.gz XYNWXBFIHHGDJA-LSDHHAIUSA-N 1 0 306.410 0.410 50 0 DCAARO C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CCC[NH2+]1 ZINC000182879343 396255913 /nfs/dbraw/zinc/25/59/13/396255913.db2.gz XROQPQDGNIZRJZ-SMDDNHRTSA-N 1 0 300.362 0.653 50 0 DCAARO CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@@H]1CC[NH2+]C1 ZINC000179075695 396220428 /nfs/dbraw/zinc/22/04/28/396220428.db2.gz IBGALKHEUVBBHK-CYBMUJFWSA-N 1 0 303.341 0.899 50 0 DCAARO CN(C(=O)c1cc(N2CCNC2=O)ccc1F)[C@H]1CC[NH2+]C1 ZINC000179114992 396222467 /nfs/dbraw/zinc/22/24/67/396222467.db2.gz NRHNUJWEJDQEKI-NSHDSACASA-N 1 0 306.341 0.789 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2nsnc2c1 ZINC000077471831 396224201 /nfs/dbraw/zinc/22/42/01/396224201.db2.gz RVDDFKJPXMGOFQ-MFKMUULPSA-N 1 0 305.407 0.729 50 0 DCAARO CN(C)C(=O)CN1CC[C@H]([NH2+]CC2(CO)CCC2)CCC1=O ZINC000584901092 396636531 /nfs/dbraw/zinc/63/65/31/396636531.db2.gz XVLBBUQAKPBNRX-CYBMUJFWSA-N 1 0 311.426 0.208 50 0 DCAARO COc1cccc(N2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)c1 ZINC000299740948 396713062 /nfs/dbraw/zinc/71/30/62/396713062.db2.gz CFNHSVGUVIJWKU-ZFWWWQNUSA-N 1 0 305.378 0.067 50 0 DCAARO Cc1ccc(N(CC(=O)N[C@H]2CC[C@H]2[NH3+])S(C)(=O)=O)cc1 ZINC000072152902 292125861 /nfs/dbraw/zinc/12/58/61/292125861.db2.gz XAKLEFWGDLSJKV-OLZOCXBDSA-N 1 0 311.407 0.367 50 0 DCAARO CCOCCN1CC2(CCC1=O)CC[NH+](C[C@@H](O)CO)CC2 ZINC000092078405 286082083 /nfs/dbraw/zinc/08/20/83/286082083.db2.gz QJAJMPHXTLRQOU-CQSZACIVSA-N 1 0 314.426 0.081 50 0 DCAARO C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@H]1C(N)=O ZINC000408473887 160116333 /nfs/dbraw/zinc/11/63/33/160116333.db2.gz PJLCQUITLDNZEQ-TZMCWYRMSA-N 1 0 319.405 0.707 50 0 DCAARO CC(C)[NH+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000025137125 415157775 /nfs/dbraw/zinc/15/77/75/415157775.db2.gz QYRKWHUDLDCCHI-UHFFFAOYSA-N 1 0 315.377 0.344 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000044344543 415219530 /nfs/dbraw/zinc/21/95/30/415219530.db2.gz VEKMBMPOUMPJTB-CHWSQXEVSA-N 1 0 317.455 0.259 50 0 DCAARO O[C@@H](CNc1ccc2nncn2n1)C[N@@H+]1CCc2ccccc2C1 ZINC000044978668 415237925 /nfs/dbraw/zinc/23/79/25/415237925.db2.gz ZFTJYERATNCALL-HNNXBMFYSA-N 1 0 324.388 0.955 50 0 DCAARO CCOc1cc2c(cc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)O[C@@H](C)C2 ZINC000269209919 415248185 /nfs/dbraw/zinc/24/81/85/415248185.db2.gz OTNIIUYOPFUMAV-BPNCWPANSA-N 1 0 320.389 0.748 50 0 DCAARO c1nc2ncnc(NC[C@H]([C@@H]3CCOC3)[NH+]3CCOCC3)c2[nH]1 ZINC000047510566 415271528 /nfs/dbraw/zinc/27/15/28/415271528.db2.gz UCCKPBDLGITFEN-VXGBXAGGSA-N 1 0 318.381 0.502 50 0 DCAARO CN(CCc1nc(CC2CC[NH+](C)CC2)no1)S(C)(=O)=O ZINC000067435068 415373101 /nfs/dbraw/zinc/37/31/01/415373101.db2.gz ZIZYOZPDTRBHLJ-UHFFFAOYSA-N 1 0 316.427 0.388 50 0 DCAARO C[C@@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)C2CCCC2)NC(=S)N1 ZINC000067804933 415385377 /nfs/dbraw/zinc/38/53/77/415385377.db2.gz SEEMHZDTCIAHHD-YPMHNXCESA-N 1 0 312.483 0.944 50 0 DCAARO C[NH2+]C[C@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O ZINC000067695310 415385664 /nfs/dbraw/zinc/38/56/64/415385664.db2.gz NKAHWHZYSYKKNT-MRXNPFEDSA-N 1 0 308.378 0.777 50 0 DCAARO NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000067885397 415390831 /nfs/dbraw/zinc/39/08/31/415390831.db2.gz QTKBWGPRNGUOKH-GFCCVEGCSA-N 1 0 312.373 0.658 50 0 DCAARO CN1CCO[C@H](C[NH2+]CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000075133328 415436989 /nfs/dbraw/zinc/43/69/89/415436989.db2.gz PQIGXHAUOGJNSE-OAHLLOKOSA-N 1 0 316.405 0.543 50 0 DCAARO Cc1cnn(CC[NH2+]CC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000075131683 415438384 /nfs/dbraw/zinc/43/83/84/415438384.db2.gz NKQJYMYTBGFTLQ-UHFFFAOYSA-N 1 0 313.361 0.766 50 0 DCAARO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@@H]1C ZINC000075129330 415439491 /nfs/dbraw/zinc/43/94/91/415439491.db2.gz YMBKNRDJKVHOFV-QWHCGFSZSA-N 1 0 309.454 0.678 50 0 DCAARO [NH3+]CC1CCN(c2cnn(CCCn3cccn3)c(=O)c2)CC1 ZINC000095380341 415557470 /nfs/dbraw/zinc/55/74/70/415557470.db2.gz AZPAMTQBSOMEFT-UHFFFAOYSA-N 1 0 316.409 0.705 50 0 DCAARO Cc1cccnc1[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)C(C)C ZINC000096424400 415574447 /nfs/dbraw/zinc/57/44/47/415574447.db2.gz WUWGMVRAEVIIKT-HNNXBMFYSA-N 1 0 304.394 0.635 50 0 DCAARO Cn1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000097081781 415580934 /nfs/dbraw/zinc/58/09/34/415580934.db2.gz DERMMDJLRFBIRI-MRXNPFEDSA-N 1 0 314.389 0.917 50 0 DCAARO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccccn2)CC1 ZINC000097104232 415581011 /nfs/dbraw/zinc/58/10/11/415581011.db2.gz DFYLEXDDWFYGFJ-ZDUSSCGKSA-N 1 0 312.439 0.386 50 0 DCAARO C[C@@H]1C[NH+](C[C@@H](O)Cn2nnc(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000106865213 415653020 /nfs/dbraw/zinc/65/30/20/415653020.db2.gz JRIHOWNHUAKGFU-UMVBOHGHSA-N 1 0 317.393 0.810 50 0 DCAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)N1 ZINC000107580503 415668459 /nfs/dbraw/zinc/66/84/59/415668459.db2.gz XEMVDFRYCLXKJJ-HUUCEWRRSA-N 1 0 316.405 0.696 50 0 DCAARO C[C@@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)CC[NH2+]1 ZINC000155140232 415994862 /nfs/dbraw/zinc/99/48/62/415994862.db2.gz DVFRDRKQRGTKPF-GFCCVEGCSA-N 1 0 300.362 0.607 50 0 DCAARO CC(C)Cn1cncc1CNC(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000299793382 416069505 /nfs/dbraw/zinc/06/95/05/416069505.db2.gz IRFNAZYEMKKLNW-CQSZACIVSA-N 1 0 307.442 0.791 50 0 DCAARO CC[NH+]1CCN(CC(=O)NCc2ccc(C(N)=O)cc2)CC1 ZINC000338271527 416069571 /nfs/dbraw/zinc/06/95/71/416069571.db2.gz MPAKNOHKHKQLPO-UHFFFAOYSA-N 1 0 304.394 0.039 50 0 DCAARO CNC(=O)Cc1cccc(NC(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)c1 ZINC000299787034 416069744 /nfs/dbraw/zinc/06/97/44/416069744.db2.gz OWMURBDDYCMWCR-KGLIPLIRSA-N 1 0 320.393 0.162 50 0 DCAARO Cc1ncc(C(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000299802353 416070763 /nfs/dbraw/zinc/07/07/63/416070763.db2.gz KWTVFIQASHGSRN-UHFFFAOYSA-N 1 0 303.410 0.542 50 0 DCAARO O=C(CCCn1cncn1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000299800169 416072077 /nfs/dbraw/zinc/07/20/77/416072077.db2.gz WSJFCIXXMARBLQ-OAHLLOKOSA-N 1 0 321.425 0.772 50 0 DCAARO CCC1(CC)NC(=O)N(CC(=O)N2CC[C@H](C[NH2+]C)C2)C1=O ZINC000179011156 416181281 /nfs/dbraw/zinc/18/12/81/416181281.db2.gz KHKQZZQWJMJBJA-LLVKDONJSA-N 1 0 310.398 0.165 50 0 DCAARO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000237437869 416328165 /nfs/dbraw/zinc/32/81/65/416328165.db2.gz CDKVATVZBWMIKP-ZYHUDNBSSA-N 1 0 323.418 0.473 50 0 DCAARO Cn1ccnc1SCCNC(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000244594265 416330603 /nfs/dbraw/zinc/33/06/03/416330603.db2.gz DJLLYLPVRXEEAV-LBPRGKRZSA-N 1 0 311.455 0.264 50 0 DCAARO CCCOc1cncc(NC(=O)[C@]2([NH3+])CCN(C(C)=O)C2)c1 ZINC000638584667 417497762 /nfs/dbraw/zinc/49/77/62/417497762.db2.gz XEIFWWGFKFXVLY-HNNXBMFYSA-N 1 0 306.366 0.759 50 0 DCAARO NC(=O)COc1ccc(/C=C\C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000492997521 272163191 /nfs/dbraw/zinc/16/31/91/272163191.db2.gz WTUOCBGWXBZZAU-DMTLFAOVSA-N 1 0 303.362 0.514 50 0 DCAARO CCN1CC2(CCN(C(=O)[C@@H]([NH3+])CCSC)CC2)OC1=O ZINC000077489952 279256203 /nfs/dbraw/zinc/25/62/03/279256203.db2.gz CZCUFXXGYNDNEI-NSHDSACASA-N 1 0 315.439 0.900 50 0 DCAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1ccncc1 ZINC000223478683 289171586 /nfs/dbraw/zinc/17/15/86/289171586.db2.gz QQAPCNNZYAHZAM-HZPDHXFCSA-N 1 0 321.421 0.866 50 0 DCAARO NC(=O)C[C@@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000097019856 295054640 /nfs/dbraw/zinc/05/46/40/295054640.db2.gz XXDPNRVGSSIQIV-LBPRGKRZSA-N 1 0 301.390 0.597 50 0 DCAARO COc1ccc(C(=O)NC[C@@]2(O)CC[NH2+]C2)c(OC)c1OC ZINC000216273798 295096314 /nfs/dbraw/zinc/09/63/14/295096314.db2.gz ZPRQSAXNIUZSIC-OAHLLOKOSA-N 1 0 310.350 0.167 50 0 DCAARO Cc1cccc(Cl)c1S(=O)(=O)NC[C@@H](O)C[NH+](C)C ZINC000534593114 334294951 /nfs/dbraw/zinc/29/49/51/334294951.db2.gz GRBJWLRLKNISHZ-SNVBAGLBSA-N 1 0 306.815 0.849 50 0 DCAARO CN1CC[NH+](CC2(CNC(=O)C[C@@H]3CCCOC3)CC2)CC1 ZINC000534593063 334294984 /nfs/dbraw/zinc/29/49/84/334294984.db2.gz JLJMAGJTBJJXRG-HNNXBMFYSA-N 1 0 309.454 0.947 50 0 DCAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1nccn1C ZINC000084736439 545704746 /nfs/dbraw/zinc/70/47/46/545704746.db2.gz GKGDHGPPHPNFDR-RYUDHWBXSA-N 1 0 300.428 0.570 50 0 DCAARO COC(=O)C1C(=CS(C)(=O)=O)N(O)c2ccccc2[N+]1=O ZINC000197099197 545935020 /nfs/dbraw/zinc/93/50/20/545935020.db2.gz YEDARSPDUWJZRB-UHFFFAOYSA-N 1 0 313.311 0.124 50 0 DCAARO Cc1nn(C)c(C(=O)NCCCN2CC[NH+](C)CC2)c1Cl ZINC000215982519 545939256 /nfs/dbraw/zinc/93/92/56/545939256.db2.gz YIMKEBIKFBJNAP-UHFFFAOYSA-N 1 0 313.833 0.749 50 0 DCAARO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@H]2Cn2cncn2)C[C@H](C)O1 ZINC000257365392 545976094 /nfs/dbraw/zinc/97/60/94/545976094.db2.gz XIIDOIAPWHAMKG-FZKCQIBNSA-N 1 0 323.441 0.213 50 0 DCAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)C1(Cn2ccnc2)CC1 ZINC000670452555 547096491 /nfs/dbraw/zinc/09/64/91/547096491.db2.gz HVEIHSQDBFWBPT-CQSZACIVSA-N 1 0 306.410 0.484 50 0 DCAARO O=C(C1CC1)N1CCC([NH2+]CCN2CCC[C@@H](CO)C2)CC1 ZINC000670459247 547098078 /nfs/dbraw/zinc/09/80/78/547098078.db2.gz XVNFVLAWHCPNID-CQSZACIVSA-N 1 0 309.454 0.681 50 0 DCAARO O=C(CCCn1cnnn1)N1CCC(Oc2ccncc2)CC1 ZINC000670466340 547099066 /nfs/dbraw/zinc/09/90/66/547099066.db2.gz UBAHEFAVTHAUNO-UHFFFAOYSA-N 1 0 316.365 0.918 50 0 DCAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000670468741 547099893 /nfs/dbraw/zinc/09/98/93/547099893.db2.gz WNFGCTIBFVPLSE-GFCCVEGCSA-N 1 0 323.359 0.661 50 0 DCAARO C=CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000043737040 658729604 /nfs/dbraw/zinc/72/96/04/658729604.db2.gz HETZRKDPACLXIP-ILXRZTDVSA-N 1 0 304.390 0.831 50 0 DCAARO O=C(Cn1cccnc1=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299772219 659640102 /nfs/dbraw/zinc/64/01/02/659640102.db2.gz SKMWVVYXQZUWJS-AWEZNQCLSA-N 1 0 320.393 0.003 50 0 DCAARO Cc1nccc([C@H]2CCCN(CCS(=O)(=O)N(C)C)C2)n1 ZINC000585081719 666170680 /nfs/dbraw/zinc/17/06/80/666170680.db2.gz MPZIZRCIPBAGKF-ZDUSSCGKSA-N 1 0 312.439 0.856 50 0 DCAARO O=C(NCC(F)(F)CO)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000184954006 666308564 /nfs/dbraw/zinc/30/85/64/666308564.db2.gz ZSELWKISHHZHIV-NSHDSACASA-N 1 0 321.368 0.414 50 0 DCAARO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952969804 685598973 /nfs/dbraw/zinc/59/89/73/685598973.db2.gz QGSXNAQAQDGJBC-MFKMUULPSA-N 1 0 321.425 0.411 50 0 DCAARO Cn1ncc2c1nc(NCCC[N@@H+]1CCC[C@H](O)C1)nc2N ZINC000952970311 685599038 /nfs/dbraw/zinc/59/90/38/685599038.db2.gz HZKNXLQPXUAPIZ-JTQLQIEISA-N 1 0 305.386 0.204 50 0 DCAARO CCn1c([C@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)nn(C)c1=O ZINC000067965784 685070500 /nfs/dbraw/zinc/07/05/00/685070500.db2.gz ACLDHDSTDQJVCS-NSHDSACASA-N 1 0 317.397 0.666 50 0 DCAARO CCn1c(=O)n(CCN2CCCC2=O)nc1[C@H]1CCC[NH2+]C1 ZINC000067894746 685070911 /nfs/dbraw/zinc/07/09/11/685070911.db2.gz RLGJRXPLLBGNIA-LBPRGKRZSA-N 1 0 307.398 0.154 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC000082156717 685082420 /nfs/dbraw/zinc/08/24/20/685082420.db2.gz LNNBDZUFSRIAIK-OLZOCXBDSA-N 1 0 323.780 0.238 50 0 DCAARO CN(C)S(=O)(=O)N1C[C@H]2C[NH2+]C[C@]2(CCc2ccccc2)C1 ZINC001772712113 1157848385 /nfs/dbraw/zinc/84/83/85/1157848385.db2.gz HZMXLWJMOMUBCW-HZPDHXFCSA-N 1 0 323.462 0.947 50 0 DCAARO CSCC(=O)N1CCCN(C(=O)[C@@]2(C)CC[N@H+](C)C2)CC1 ZINC001704300402 1179964989 /nfs/dbraw/zinc/96/49/89/1179964989.db2.gz VHOCYACEPICMNN-HNNXBMFYSA-N 1 0 313.467 0.752 50 0 DCAARO Cc1nnc(SCC(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)o1 ZINC001704307572 1179967742 /nfs/dbraw/zinc/96/77/42/1179967742.db2.gz ALRBROSTJNGWMW-QWRGUYRKSA-N 1 0 312.395 0.259 50 0 DCAARO C[C@H](CCC(=O)NC1CCS(=O)(=O)CC1)[NH+]1CCCC1 ZINC000821746086 758179755 /nfs/dbraw/zinc/17/97/55/758179755.db2.gz ZDEKHFFYMKHCNZ-GFCCVEGCSA-N 1 0 302.440 0.944 50 0 DCAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000823778627 758266810 /nfs/dbraw/zinc/26/68/10/758266810.db2.gz IESXRHBXWWZRPB-CQSZACIVSA-N 1 0 303.410 1.000 50 0 DCAARO C[C@@H](CCC(=O)N(C)Cc1nncn1C)[NH+]1CCN(C)CC1 ZINC000823789389 758276137 /nfs/dbraw/zinc/27/61/37/758276137.db2.gz KJFKBYBVQIYCTR-ZDUSSCGKSA-N 1 0 308.430 0.190 50 0 DCAARO COCC[NH+]1CCC(C(=O)NCC2(CO)CCOCC2)CC1 ZINC000824412403 758773536 /nfs/dbraw/zinc/77/35/36/758773536.db2.gz NTAXFBHMRSWKPM-UHFFFAOYSA-N 1 0 314.426 0.250 50 0 DCAARO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000827864710 758890390 /nfs/dbraw/zinc/89/03/90/758890390.db2.gz UALQDDZNIFVWAK-NSHDSACASA-N 1 0 306.395 0.515 50 0 DCAARO Cn1ncc2c1nc(NCCC[N@@H+]1CCC[C@@H](CO)C1)nc2N ZINC000828711104 759074756 /nfs/dbraw/zinc/07/47/56/759074756.db2.gz DPHHTMLWBLGEAH-LLVKDONJSA-N 1 0 319.413 0.452 50 0 DCAARO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CN(C)S(C)(=O)=O ZINC000585126161 766288846 /nfs/dbraw/zinc/28/88/46/766288846.db2.gz QNZSRGZOSSRISJ-QWHCGFSZSA-N 1 0 319.471 0.599 50 0 DCAARO C[C@H]([NH2+]CC1(O)CN(C(=O)OC(C)(C)C)C1)[C@H]1CCOC1 ZINC000585117075 766285781 /nfs/dbraw/zinc/28/57/81/766285781.db2.gz QKILWMWRLMYYOT-RYUDHWBXSA-N 1 0 300.399 0.983 50 0 DCAARO Cc1nccn1CC(=O)N1CC[N@@H+](CC(C)C)[C@@H](CCO)C1 ZINC000952860156 768921196 /nfs/dbraw/zinc/92/11/96/768921196.db2.gz GORWXVIWXXVENT-HNNXBMFYSA-N 1 0 308.426 0.743 50 0 DCAARO Cc1c[nH]c(C[NH+]2CCC3(CC2)CN([C@@H](C)C(N)=O)CCO3)n1 ZINC000952868526 768924264 /nfs/dbraw/zinc/92/42/64/768924264.db2.gz AYBNPRKZMHAHDG-ZDUSSCGKSA-N 1 0 321.425 0.259 50 0 DCAARO COc1ccc(CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000952883806 768951761 /nfs/dbraw/zinc/95/17/61/768951761.db2.gz QUPKQIDUDREFBT-LSDHHAIUSA-N 1 0 304.390 0.905 50 0 DCAARO Cc1cc(NC[C@H]2CN(C)C(=O)CO2)nc(N2CCCC2)[nH+]1 ZINC000885938850 775066090 /nfs/dbraw/zinc/06/60/90/775066090.db2.gz BKFDDOUMBYQFCR-LBPRGKRZSA-N 1 0 305.382 0.654 50 0 DCAARO CN(C)S(=O)(=O)C[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O ZINC001529144207 1014505504 /nfs/dbraw/zinc/50/55/04/1014505504.db2.gz SLUVXOACYMNRSW-RYUDHWBXSA-N 1 0 304.437 0.432 50 0 DCAARO Cn1ccnc1CC[NH+]1CCC(c2nnc(CO)n2C)CC1 ZINC001529197930 1014519969 /nfs/dbraw/zinc/51/99/69/1014519969.db2.gz ZDNCULIHEIMTOD-UHFFFAOYSA-N 1 0 304.398 0.463 50 0 DCAARO CC(=O)N(C)c1ccc(NC(=O)CN2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001506420288 1017266442 /nfs/dbraw/zinc/26/64/42/1017266442.db2.gz AXYLPDKGDWOREF-XJKSGUPXSA-N 1 0 316.405 0.902 50 0 DCAARO O=C(NCc1ccno1)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000082109217 192357501 /nfs/dbraw/zinc/35/75/01/192357501.db2.gz QAOKPNHVYRHHDC-NSHDSACASA-N 1 0 304.354 0.728 50 0 DCAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095399368 185353850 /nfs/dbraw/zinc/35/38/50/185353850.db2.gz LBRNRTRRAUCHFX-CYBMUJFWSA-N 1 0 300.366 0.967 50 0 DCAARO O=C(NCc1cccnc1)[C@@H]1CCC(=O)N1C1CC[NH2+]CC1 ZINC000169676437 197747270 /nfs/dbraw/zinc/74/72/70/197747270.db2.gz UXEFISVZRYTPMB-AWEZNQCLSA-N 1 0 302.378 0.441 50 0 DCAARO CC[NH+](CC)CCNC(=O)c1cc(C)nc(N2CCOCC2)n1 ZINC000071195526 190940289 /nfs/dbraw/zinc/94/02/89/190940289.db2.gz NBCSXZULMNEXOB-UHFFFAOYSA-N 1 0 321.425 0.693 50 0 DCAARO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000084005390 192395382 /nfs/dbraw/zinc/39/53/82/192395382.db2.gz PLEXMSLXDNICGB-GXFFZTMASA-N 1 0 317.393 0.282 50 0 DCAARO O=C(CCc1cccnc1)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072128141 191042518 /nfs/dbraw/zinc/04/25/18/191042518.db2.gz NPXDXMPPULVRSQ-INIZCTEOSA-N 1 0 305.378 0.232 50 0 DCAARO c1cnn(C[C@H]2CN(Cc3cc4n(n3)CC[NH2+]C4)CCCO2)c1 ZINC000072153274 191056918 /nfs/dbraw/zinc/05/69/18/191056918.db2.gz SAIRLPFGIPYAGY-MRXNPFEDSA-N 1 0 316.409 0.474 50 0 DCAARO C[NH+](C)C[C@]1(O)CCN(C(=O)COc2ccc3c(c2)OCO3)C1 ZINC000072167917 191066860 /nfs/dbraw/zinc/06/68/60/191066860.db2.gz DJZJTHOIZPLBEO-MRXNPFEDSA-N 1 0 322.361 0.319 50 0 DCAARO Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C(N)=O ZINC000072277708 191098913 /nfs/dbraw/zinc/09/89/13/191098913.db2.gz AZUKEQATOMKEIY-GFCCVEGCSA-N 1 0 323.418 0.563 50 0 DCAARO Cc1nn(C)c2nc(C)nc(N[C@H]3C[C@H]4C[N@H+](C)CCN4C3)c12 ZINC000072429140 191163081 /nfs/dbraw/zinc/16/30/81/191163081.db2.gz VRXTZIVRDOEVTK-STQMWFEESA-N 1 0 315.425 0.780 50 0 DCAARO COCC[NH2+]C[C@@H](O)c1cccc(NC(=O)C(=O)NC(C)C)c1 ZINC000072446993 191168743 /nfs/dbraw/zinc/16/87/43/191168743.db2.gz BQMHRJYDCKSYGL-CQSZACIVSA-N 1 0 323.393 0.419 50 0 DCAARO CN(C)c1ncc(CN2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cn1 ZINC000072473542 191175883 /nfs/dbraw/zinc/17/58/83/191175883.db2.gz MRAFGJADOQUYMN-MRXNPFEDSA-N 1 0 319.453 0.964 50 0 DCAARO Nc1cc(N)[nH+]c(SCC(=O)NCCOc2ccccc2)n1 ZINC000004458565 181110973 /nfs/dbraw/zinc/11/09/73/181110973.db2.gz XTLYROSYCBAYQO-UHFFFAOYSA-N 1 0 319.390 0.928 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000237350368 202242345 /nfs/dbraw/zinc/24/23/45/202242345.db2.gz YTYZXGUDLRPPOB-FZKGZDJFSA-N 1 0 323.418 0.428 50 0 DCAARO Cc1cc(C)c2c(OCC(=O)N3CC[NH2+][C@H](C)C3)nn(C)c2n1 ZINC000237581205 202291058 /nfs/dbraw/zinc/29/10/58/202291058.db2.gz KGUGOUJIFQSUAB-GFCCVEGCSA-N 1 0 317.393 0.784 50 0 DCAARO CC(C)c1noc(C[N@@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091503776 193065644 /nfs/dbraw/zinc/06/56/44/193065644.db2.gz NHVPSQYAVASWRA-INIZCTEOSA-N 1 0 322.409 1.000 50 0 DCAARO Cc1ccc(N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)nn1 ZINC000091656402 193085698 /nfs/dbraw/zinc/08/56/98/193085698.db2.gz OXQWUJOTACESIN-HZPDHXFCSA-N 1 0 319.453 0.467 50 0 DCAARO Cc1cccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])n1 ZINC000091997419 193138414 /nfs/dbraw/zinc/13/84/14/193138414.db2.gz CFZHDAOXDZHEJH-CABCVRRESA-N 1 0 319.405 0.721 50 0 DCAARO O=c1oc2ccccc2n1CCCN1CC[NH+](CCO)CC1 ZINC000019368895 182120012 /nfs/dbraw/zinc/12/00/12/182120012.db2.gz CCXDRDZXJGUIGM-UHFFFAOYSA-N 1 0 305.378 0.595 50 0 DCAARO CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000020029119 182181186 /nfs/dbraw/zinc/18/11/86/182181186.db2.gz SAXWSIBQQXTUIL-HNNXBMFYSA-N 1 0 307.394 0.632 50 0 DCAARO O=C(c1cccc(F)c1)N1CCC([NH2+][C@H]2CC(=O)NC2=O)CC1 ZINC000020059441 182184545 /nfs/dbraw/zinc/18/45/45/182184545.db2.gz MWDAPWSUFRBMCK-ZDUSSCGKSA-N 1 0 319.336 0.435 50 0 DCAARO CN(C)c1ccccc1C(=O)NCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000020204264 182197623 /nfs/dbraw/zinc/19/76/23/182197623.db2.gz LELPRFVTIVXSHZ-ZDUSSCGKSA-N 1 0 318.421 0.680 50 0 DCAARO O=C(NCC[NH+]1CCCC1)c1cc(CN2CCOCC2)on1 ZINC000021540865 182279708 /nfs/dbraw/zinc/27/97/08/182279708.db2.gz SLYSJUQGJZDWHA-UHFFFAOYSA-N 1 0 308.382 0.332 50 0 DCAARO COc1ccc(COC[C@H](O)C[NH+]2CCN(C)CC2)cc1OC ZINC000022027221 182304846 /nfs/dbraw/zinc/30/48/46/182304846.db2.gz WHCSJHCMHYJIIZ-OAHLLOKOSA-N 1 0 324.421 0.829 50 0 DCAARO COc1ccc(OCCN2CC[NH+](CCC(N)=O)CC2)cc1 ZINC000022946129 182343141 /nfs/dbraw/zinc/34/31/41/182343141.db2.gz FNAICAGTLRUXEE-UHFFFAOYSA-N 1 0 307.394 0.567 50 0 DCAARO CNC(=O)NC(=O)CCN1CC[NH+](Cc2cccs2)CC1 ZINC000040494029 183080651 /nfs/dbraw/zinc/08/06/51/183080651.db2.gz KZCSFAWAOAPTMW-UHFFFAOYSA-N 1 0 310.423 0.711 50 0 DCAARO C[C@H](CNC(=O)Cn1c2ccccc2n(C)c1=O)[NH+]1CCCC1 ZINC000040522589 183091342 /nfs/dbraw/zinc/09/13/42/183091342.db2.gz AEQVIEOVNPHYSK-CYBMUJFWSA-N 1 0 316.405 0.941 50 0 DCAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000041899457 183224792 /nfs/dbraw/zinc/22/47/92/183224792.db2.gz JYMYBBUGBZJJAL-UHFFFAOYSA-N 1 0 314.393 0.716 50 0 DCAARO O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000042871320 183315922 /nfs/dbraw/zinc/31/59/22/183315922.db2.gz LIFJZSOGDWJKGI-WOPDTQHZSA-N 1 0 301.412 0.100 50 0 DCAARO CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000236947925 284739163 /nfs/dbraw/zinc/73/91/63/284739163.db2.gz KNNVKCPKYQHZJY-RYUDHWBXSA-N 1 0 305.444 0.244 50 0 DCAARO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)n2cccn2)CC1 ZINC000106790463 194253776 /nfs/dbraw/zinc/25/37/76/194253776.db2.gz FLKSVLMKQYOMQB-ILXRZTDVSA-N 1 0 307.442 0.975 50 0 DCAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCNC(=O)C1 ZINC000057139045 184027940 /nfs/dbraw/zinc/02/79/40/184027940.db2.gz KRSNWSUSYFBCFO-HNNXBMFYSA-N 1 0 301.390 0.857 50 0 DCAARO CCNC(=O)[C@H]1CCN(c2nc(C)nc3c2CC[NH2+]CC3)C1 ZINC000065393424 184334024 /nfs/dbraw/zinc/33/40/24/184334024.db2.gz GQTGJKXTQALIMX-LBPRGKRZSA-N 1 0 303.410 0.436 50 0 DCAARO CCS(=O)(=O)NCCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000065535275 184362221 /nfs/dbraw/zinc/36/22/21/184362221.db2.gz KJZBYAIWDNAJDZ-UHFFFAOYSA-N 1 0 304.416 0.156 50 0 DCAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCc1csc(-c2ncccn2)n1 ZINC000067688562 184479548 /nfs/dbraw/zinc/47/95/48/184479548.db2.gz VJOSNEBSUYIHDU-ONGXEEELSA-N 1 0 318.406 0.248 50 0 DCAARO CC(C)NC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000069348838 184508347 /nfs/dbraw/zinc/50/83/47/184508347.db2.gz TVWWOBRNOJSEKY-CYBMUJFWSA-N 1 0 311.426 0.470 50 0 DCAARO CCOC(=O)C1(C(=O)N(C)CC[N@H+](C)C2CC2)CCOCC1 ZINC000354914853 257235808 /nfs/dbraw/zinc/23/58/08/257235808.db2.gz QYSCLYQKCRPHOZ-UHFFFAOYSA-N 1 0 312.410 0.899 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000237350169 257239210 /nfs/dbraw/zinc/23/92/10/257239210.db2.gz XMNYBODTCBBYMG-YSKGHYERSA-N 1 0 323.418 0.558 50 0 DCAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000237471131 257239572 /nfs/dbraw/zinc/23/95/72/257239572.db2.gz QBGPADGGLPXMRQ-YPMHNXCESA-N 1 0 305.378 0.893 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H](c2ccn(CCO)n2)C1)N1CCCC1 ZINC000426549200 257246816 /nfs/dbraw/zinc/24/68/16/257246816.db2.gz SEFNRGBWTYOVSA-CQSZACIVSA-N 1 0 306.410 0.677 50 0 DCAARO CC(C)[C@@H](CNS(=O)(=O)N(C)C(C)C)N1CC[NH+](C)CC1 ZINC000071850368 184868319 /nfs/dbraw/zinc/86/83/19/184868319.db2.gz XYEJNIZVNHMOTN-CQSZACIVSA-N 1 0 320.503 0.433 50 0 DCAARO C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCc1nnc2ccccn21 ZINC000014185210 395689376 /nfs/dbraw/zinc/68/93/76/395689376.db2.gz MEYIEOQXDDGRLJ-ZDUSSCGKSA-N 1 0 317.393 0.499 50 0 DCAARO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000000220782 395680047 /nfs/dbraw/zinc/68/00/47/395680047.db2.gz FWAVZUXJCBMXGI-GFCCVEGCSA-N 1 0 305.444 0.116 50 0 DCAARO CN1c2ccccc2Oc2nn(CCCNC(N)=[NH2+])c(=O)cc21 ZINC000005329011 395682601 /nfs/dbraw/zinc/68/26/01/395682601.db2.gz FDNGTXDWVZSUDT-UHFFFAOYSA-N 1 0 314.349 0.990 50 0 DCAARO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2cnccn2)CC1 ZINC000085468086 395701122 /nfs/dbraw/zinc/70/11/22/395701122.db2.gz DPCNFZFMBYJARG-CQSZACIVSA-N 1 0 317.437 0.965 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)CCNc2ncccn2)CC1 ZINC000089414250 395711467 /nfs/dbraw/zinc/71/14/67/395711467.db2.gz MNQUENQCNZNGIM-UHFFFAOYSA-N 1 0 321.425 0.753 50 0 DCAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000089534328 395712602 /nfs/dbraw/zinc/71/26/02/395712602.db2.gz LMAVWQJLOLKSMA-MWLCHTKSSA-N 1 0 318.377 0.857 50 0 DCAARO C[C@@H]1NC(=S)N(Cc2ccc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000032778513 395713325 /nfs/dbraw/zinc/71/33/25/395713325.db2.gz VACGCVCHYWRIPZ-NSHDSACASA-N 1 0 319.434 0.439 50 0 DCAARO C[C@@H]1C[N@H+](C)CCN1CC(=O)NCCOc1cccc(F)c1 ZINC000089939026 395717074 /nfs/dbraw/zinc/71/70/74/395717074.db2.gz FDEJQIKTSFGOIO-CYBMUJFWSA-N 1 0 309.385 0.957 50 0 DCAARO CC[C@@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC000089943405 395717666 /nfs/dbraw/zinc/71/76/66/395717666.db2.gz AJGOAMAMZXWMCU-OLZOCXBDSA-N 1 0 317.455 0.595 50 0 DCAARO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029094364 395696789 /nfs/dbraw/zinc/69/67/89/395696789.db2.gz NPIUEVLVAAJIRB-UHFFFAOYSA-N 1 0 320.393 0.047 50 0 DCAARO COCC[C@]1(CO)CCC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000091494461 395725531 /nfs/dbraw/zinc/72/55/31/395725531.db2.gz OXYRMVZKGFCRGZ-CQSZACIVSA-N 1 0 322.471 0.379 50 0 DCAARO CSc1ncc(C(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)cn1 ZINC000092099717 395728899 /nfs/dbraw/zinc/72/88/99/395728899.db2.gz WAGJAGBKYWJMKT-VXGBXAGGSA-N 1 0 310.423 0.441 50 0 DCAARO Cc1nnnn1-c1cccc(C(=O)N2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000096136123 395745548 /nfs/dbraw/zinc/74/55/48/395745548.db2.gz MVOXHDCZQMOGLK-DZGCQCFKSA-N 1 0 312.377 0.795 50 0 DCAARO C[C@@H](CCc1cccn1C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000096440121 395753374 /nfs/dbraw/zinc/75/33/74/395753374.db2.gz WYNPVGHFEOUGQP-HOCLYGCPSA-N 1 0 321.469 0.891 50 0 DCAARO CCc1ncncc1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000096436446 395753461 /nfs/dbraw/zinc/75/34/61/395753461.db2.gz QTTVSHVSRFUIAJ-CYBMUJFWSA-N 1 0 306.410 0.862 50 0 DCAARO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)C(=O)N1CCOCC1)CC2 ZINC000097199364 395755620 /nfs/dbraw/zinc/75/56/20/395755620.db2.gz SAPIWCMTPQYRGY-QWHCGFSZSA-N 1 0 321.425 0.553 50 0 DCAARO CN(Cc1ccc2nonc2c1)C(=O)C1(O)CC[NH+](C)CC1 ZINC000097294731 395756900 /nfs/dbraw/zinc/75/69/00/395756900.db2.gz SQUQGKWBAOEWQB-UHFFFAOYSA-N 1 0 304.350 0.638 50 0 DCAARO Cc1nc2ncccn2c1C(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000097732958 395760177 /nfs/dbraw/zinc/76/01/77/395760177.db2.gz USYFQBDJZUDIDA-ZDUSSCGKSA-N 1 0 317.393 0.614 50 0 DCAARO CCOCC(=O)N1CC[N@H+](CCc2ccccc2)C[C@@H](O)C1 ZINC000097772942 395760849 /nfs/dbraw/zinc/76/08/49/395760849.db2.gz HZGTWPLBTJEXQW-MRXNPFEDSA-N 1 0 306.406 0.771 50 0 DCAARO O=C(NCC[NH2+]CCO)c1cnn(-c2ccccc2)c1Cl ZINC000098086719 395762119 /nfs/dbraw/zinc/76/21/19/395762119.db2.gz FAXONXACPRERCF-UHFFFAOYSA-N 1 0 308.769 0.837 50 0 DCAARO C[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)C[NH+]1CCCC1 ZINC000048731044 395823308 /nfs/dbraw/zinc/82/33/08/395823308.db2.gz ZNULVOYKFGYHRF-NWDGAFQWSA-N 1 0 303.428 0.205 50 0 DCAARO COCCn1cnnc1CNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219408417 395845575 /nfs/dbraw/zinc/84/55/75/395845575.db2.gz ILBSXRFDCBTHOL-UHFFFAOYSA-N 1 0 318.385 0.114 50 0 DCAARO Cn1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1=O ZINC000051530954 395851148 /nfs/dbraw/zinc/85/11/48/395851148.db2.gz HUCHQPFFNGYECB-OAHLLOKOSA-N 1 0 319.405 0.456 50 0 DCAARO CC(C)C[N@@H+]1CCN(C(=O)c2cc(CO)ccn2)C[C@@H]1CCO ZINC000222422903 395852681 /nfs/dbraw/zinc/85/26/81/395852681.db2.gz RUSULGJSLLQNFH-HNNXBMFYSA-N 1 0 321.421 0.739 50 0 DCAARO O=C(CCN1CC[NH+](CCO)CC1)N1CCc2ccccc21 ZINC000054424034 395899947 /nfs/dbraw/zinc/89/99/47/395899947.db2.gz HCDWTYRCTLVUCK-UHFFFAOYSA-N 1 0 303.406 0.576 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000125018013 395902450 /nfs/dbraw/zinc/90/24/50/395902450.db2.gz OVJXTSDOCDBLOL-GDBMZVCRSA-N 1 0 303.406 0.708 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)Cc1csc(-c2cnccn2)n1 ZINC000125415053 395903255 /nfs/dbraw/zinc/90/32/55/395903255.db2.gz ZMOYQOKCTXSOQG-JTQLQIEISA-N 1 0 303.391 0.963 50 0 DCAARO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000237301371 395909527 /nfs/dbraw/zinc/90/95/27/395909527.db2.gz XJOBYIXJDIOFJB-OLZOCXBDSA-N 1 0 317.455 0.259 50 0 DCAARO C[C@H]1CN(S(=O)(=O)NCC2([NH3+])CCCCCC2)[C@@H](C)CO1 ZINC000237691708 395917776 /nfs/dbraw/zinc/91/77/76/395917776.db2.gz AJYISFMZISLEGC-STQMWFEESA-N 1 0 319.471 0.982 50 0 DCAARO C[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000052877412 395872717 /nfs/dbraw/zinc/87/27/17/395872717.db2.gz SKDWVLIFDJSHOA-GFCCVEGCSA-N 1 0 319.409 0.698 50 0 DCAARO O=C(Cn1nc2ccccn2c1=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229384183 395874166 /nfs/dbraw/zinc/87/41/66/395874166.db2.gz BYTIKICLGOHNRW-OLZOCXBDSA-N 1 0 315.377 0.239 50 0 DCAARO Cc1ncsc1CC[N@@H+](C)CCc1c[nH]c(=O)n(C)c1=O ZINC000253537070 396030678 /nfs/dbraw/zinc/03/06/78/396030678.db2.gz WKIHXDIRCFYEPJ-UHFFFAOYSA-N 1 0 308.407 0.968 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(OC)cc3)nn2)C[NH2+]1 ZINC000067755191 396032655 /nfs/dbraw/zinc/03/26/55/396032655.db2.gz BBDAOYZNHATDIJ-JSGCOSHPSA-N 1 0 315.377 0.993 50 0 DCAARO O=C1CCN(S(=O)(=O)c2ccccc2)CCC[NH2+]CCN1 ZINC000257193648 396035160 /nfs/dbraw/zinc/03/51/60/396035160.db2.gz RVRZTZBQGSUBQR-UHFFFAOYSA-N 1 0 311.407 0.177 50 0 DCAARO COc1cccc(C[N@@H+]2C[C@@H](CO)[C@H](C(=O)N(C)C)C2)c1OC ZINC000257192384 396035360 /nfs/dbraw/zinc/03/53/60/396035360.db2.gz UJCFFUFAXLKMAU-UONOGXRCSA-N 1 0 322.405 0.832 50 0 DCAARO CCOCC(=O)N1CCC(N2CC(F)(F)C[C@H]2CO)CC1 ZINC000257196541 396036018 /nfs/dbraw/zinc/03/60/18/396036018.db2.gz YJVWSHAMNCIGPI-LBPRGKRZSA-N 1 0 306.353 0.716 50 0 DCAARO O=C(NC1CCS(=O)(=O)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252372169 396019094 /nfs/dbraw/zinc/01/90/94/396019094.db2.gz HISCHVSXBTYJSH-UHTWSYAYSA-N 1 0 300.424 0.601 50 0 DCAARO CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccnc3nncn32)CC1 ZINC000252482857 396020144 /nfs/dbraw/zinc/02/01/44/396020144.db2.gz DPFNNGDXOAIJMR-LBPRGKRZSA-N 1 0 317.397 0.290 50 0 DCAARO COCC[NH+]1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000069654049 396086406 /nfs/dbraw/zinc/08/64/06/396086406.db2.gz NJMVSIYZOLONQE-UHFFFAOYSA-N 1 0 316.405 0.730 50 0 DCAARO CCOC(=O)c1cnn(CC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1N ZINC000069701389 396087888 /nfs/dbraw/zinc/08/78/88/396087888.db2.gz KHZBWLURTWUDAL-LBPRGKRZSA-N 1 0 323.397 0.195 50 0 DCAARO CCc1nnc2n1CCN(C[C@H](O)C[NH+]1CCC(C)CC1)C2 ZINC000069773616 396090336 /nfs/dbraw/zinc/09/03/36/396090336.db2.gz MDCONTDHGQSOFB-CQSZACIVSA-N 1 0 307.442 0.749 50 0 DCAARO COCC[N@@H+]1CCN(Cc2cccc(OCC(N)=O)c2)C[C@H]1C ZINC000069840515 396092006 /nfs/dbraw/zinc/09/20/06/396092006.db2.gz IRNFPXBQPIOWQC-CQSZACIVSA-N 1 0 321.421 0.703 50 0 DCAARO CN(CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C)c1cnccn1 ZINC000069840735 396092431 /nfs/dbraw/zinc/09/24/31/396092431.db2.gz YZZUHGVMQYBOAY-KGLIPLIRSA-N 1 0 303.410 0.998 50 0 DCAARO CCc1nc2n(n1)C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)CC2 ZINC000069876994 396094029 /nfs/dbraw/zinc/09/40/29/396094029.db2.gz KSRDITGTURYTSC-NSHDSACASA-N 1 0 315.443 0.026 50 0 DCAARO CCC[C@H](C)S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000170613333 396096340 /nfs/dbraw/zinc/09/63/40/396096340.db2.gz VYKOAZWPFXJCLS-LBPRGKRZSA-N 1 0 305.444 0.211 50 0 DCAARO CCOC(=O)c1ccsc1NC(=O)C(=O)NCC[NH+](C)C ZINC000070005717 396097203 /nfs/dbraw/zinc/09/72/03/396097203.db2.gz KPTXXZHTVDEVQH-UHFFFAOYSA-N 1 0 313.379 0.541 50 0 DCAARO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000070016327 396098237 /nfs/dbraw/zinc/09/82/37/396098237.db2.gz GVQMZCVQINIYKO-JTQLQIEISA-N 1 0 321.406 0.969 50 0 DCAARO CCNC(=O)N1CCC(NC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000071721484 396114402 /nfs/dbraw/zinc/11/44/02/396114402.db2.gz YPJYNKVFLGBEPA-CQSZACIVSA-N 1 0 304.394 0.997 50 0 DCAARO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)CCO1 ZINC000071821653 396117123 /nfs/dbraw/zinc/11/71/23/396117123.db2.gz OMJBLVXMKKPQTC-LBPRGKRZSA-N 1 0 320.393 0.106 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N(C)C)nc2)C1 ZINC000071841836 396118591 /nfs/dbraw/zinc/11/85/91/396118591.db2.gz MBHRDFKLRPNZCA-ZDUSSCGKSA-N 1 0 306.410 0.846 50 0 DCAARO CC(C)[N@H+](C)CC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000071841493 396118658 /nfs/dbraw/zinc/11/86/58/396118658.db2.gz FVCQQWIRUYNORL-ZDUSSCGKSA-N 1 0 309.385 0.926 50 0 DCAARO CCc1nn2c(nc(C[NH2+]CCn3cccn3)cc2=O)s1 ZINC000071879249 396122234 /nfs/dbraw/zinc/12/22/34/396122234.db2.gz FCXVFSNPJCSTKR-UHFFFAOYSA-N 1 0 304.379 0.700 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCCNS(C)(=O)=O ZINC000071880430 396122946 /nfs/dbraw/zinc/12/29/46/396122946.db2.gz YYRULRZZUZDEDP-KGLIPLIRSA-N 1 0 317.455 0.401 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2cnc[nH]2)[C@H](C)C1 ZINC000072300612 396130859 /nfs/dbraw/zinc/13/08/59/396130859.db2.gz FKAKSBACPDRJEI-YPMHNXCESA-N 1 0 300.428 0.948 50 0 DCAARO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000069489515 396080009 /nfs/dbraw/zinc/08/00/09/396080009.db2.gz MICSTYPLDKYHJR-OAHLLOKOSA-N 1 0 321.421 0.574 50 0 DCAARO CC[NH+]1CCC(NC(=O)CN2CCc3cncnc3C2)CC1 ZINC000069582862 396083509 /nfs/dbraw/zinc/08/35/09/396083509.db2.gz PENDUIFXYSBQOH-UHFFFAOYSA-N 1 0 303.410 0.435 50 0 DCAARO Cc1nc(NC(=O)C[NH2+][C@H]2CCc3ncnn3C2)sc1C ZINC000075603419 396182773 /nfs/dbraw/zinc/18/27/73/396182773.db2.gz JOPGAOIBNUZWJQ-JTQLQIEISA-N 1 0 306.395 0.895 50 0 DCAARO Cc1ccc(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000078788591 396254381 /nfs/dbraw/zinc/25/43/81/396254381.db2.gz MNOAHQQMJCDZOZ-JKSUJKDBSA-N 1 0 303.406 0.990 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3nccn3C)C[C@H]2C)CC1 ZINC000078896241 396256938 /nfs/dbraw/zinc/25/69/38/396256938.db2.gz FGNAURCBEZQFSG-ZBFHGGJFSA-N 1 0 319.453 0.795 50 0 DCAARO Cc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)cccc1N1CCNC1=O ZINC000179053004 396219628 /nfs/dbraw/zinc/21/96/28/396219628.db2.gz BHLWIGPJHUQEAX-GFCCVEGCSA-N 1 0 302.378 0.959 50 0 DCAARO Cc1nc(C)n([C@@H](C)CN2C(=O)NC3(CC[NH2+]CC3)C2=O)n1 ZINC000077470291 396223024 /nfs/dbraw/zinc/22/30/24/396223024.db2.gz QDDFAXYIBACRPQ-VIFPVBQESA-N 1 0 306.370 0.130 50 0 DCAARO O[C@]1(CN2CCc3c4ccccc4[nH]c3C2)C[NH2+]CCOC1 ZINC000077470215 396223282 /nfs/dbraw/zinc/22/32/82/396223282.db2.gz FLWXECGHJMOGDZ-KRWDZBQOSA-N 1 0 301.390 0.877 50 0 DCAARO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000077459900 396223324 /nfs/dbraw/zinc/22/33/24/396223324.db2.gz NFQXNFWDAVLWPP-SMDDNHRTSA-N 1 0 323.418 0.419 50 0 DCAARO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)CC[NH2+]1 ZINC000179183136 396224097 /nfs/dbraw/zinc/22/40/97/396224097.db2.gz JWGZXFKZSGFVFC-SSDOTTSWSA-N 1 0 300.156 0.571 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cccc2c1OCO2 ZINC000077485642 396224223 /nfs/dbraw/zinc/22/42/23/396224223.db2.gz DAAJFBVLOPZIHE-UHFFFAOYSA-N 1 0 303.318 0.589 50 0 DCAARO COCCn1cc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000282437500 396290124 /nfs/dbraw/zinc/29/01/24/396290124.db2.gz JXKUCLAFKDGEBH-ZFWWWQNUSA-N 1 0 321.425 0.908 50 0 DCAARO C[NH+](C)CCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000192808885 396438165 /nfs/dbraw/zinc/43/81/65/396438165.db2.gz AGJDOMJKOZNTRT-UHFFFAOYSA-N 1 0 302.378 0.924 50 0 DCAARO C[C@H](CNS(=O)(=O)C1CC1)[NH2+]CCc1cn2ccccc2n1 ZINC000584892828 396634163 /nfs/dbraw/zinc/63/41/63/396634163.db2.gz JLHCSGUXLNFOKR-GFCCVEGCSA-N 1 0 322.434 0.937 50 0 DCAARO CC(C)CS(=O)(=O)CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000584903615 396637036 /nfs/dbraw/zinc/63/70/36/396637036.db2.gz DSXZOUZYVBAVLF-GFCCVEGCSA-N 1 0 302.440 0.563 50 0 DCAARO COCCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1Cc2ccccc2C1 ZINC000299764974 396713651 /nfs/dbraw/zinc/71/36/51/396713651.db2.gz WSGLTQWKVTVKLY-ZBFHGGJFSA-N 1 0 303.406 0.318 50 0 DCAARO COc1ccc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1F ZINC000630095419 396940379 /nfs/dbraw/zinc/94/03/79/396940379.db2.gz KGQVLHWFAFUWOJ-NSHDSACASA-N 1 0 318.370 0.242 50 0 DCAARO CC(C)(CO)CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000012432541 415149570 /nfs/dbraw/zinc/14/95/70/415149570.db2.gz VYUSYKFDTGTFPC-ZDUSSCGKSA-N 1 0 311.426 0.254 50 0 DCAARO Cn1c(=O)cc(C[NH2+]CCc2c(F)cccc2F)n(C)c1=O ZINC000048332629 415290501 /nfs/dbraw/zinc/29/05/01/415290501.db2.gz ZYLMPXALDRNBQY-UHFFFAOYSA-N 1 0 309.316 0.695 50 0 DCAARO O[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)COc1ccccc1 ZINC000058307293 415341131 /nfs/dbraw/zinc/34/11/31/415341131.db2.gz JWLBVYVCBGYCSR-ZIAGYGMSSA-N 1 0 302.378 0.954 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1c[nH]c2ccccc12 ZINC000067820094 415385111 /nfs/dbraw/zinc/38/51/11/415385111.db2.gz RJZFUZUPPUICQL-HZMBPMFUSA-N 1 0 300.362 0.846 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc2c(cc1OC)OCO2 ZINC000067787319 415386744 /nfs/dbraw/zinc/38/67/44/415386744.db2.gz STCXESUTOSVNMO-NEPJUHHUSA-N 1 0 321.377 0.462 50 0 DCAARO CCc1nc(C)c(C(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)N(CC)CC)o1 ZINC000067867684 415389893 /nfs/dbraw/zinc/38/98/93/415389893.db2.gz OSLGXWIGHWQASP-NEPJUHHUSA-N 1 0 322.409 0.956 50 0 DCAARO Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(=O)[nH]1 ZINC000075119346 415436140 /nfs/dbraw/zinc/43/61/40/415436140.db2.gz KXAINZUIGLLSBS-STQMWFEESA-N 1 0 307.394 0.912 50 0 DCAARO CC(C)C[C@H]1COCCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000079306088 415469723 /nfs/dbraw/zinc/46/97/23/415469723.db2.gz PVHYDBLAXPSOOG-GJZGRUSLSA-N 1 0 312.458 0.689 50 0 DCAARO CCc1ncc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000095358789 415555072 /nfs/dbraw/zinc/55/50/72/415555072.db2.gz ZDAYHADDMJFULX-UHFFFAOYSA-N 1 0 304.394 0.976 50 0 DCAARO [NH3+]CC1CCN(c2cnn(Cc3ncccn3)c(=O)c2)CC1 ZINC000095382155 415559370 /nfs/dbraw/zinc/55/93/70/415559370.db2.gz YRTVYVDGFRJMIG-UHFFFAOYSA-N 1 0 300.366 0.257 50 0 DCAARO O=C1[C@@H]([NH2+]Cc2cccnc2)CCCN1CCN1CCOCC1 ZINC000096004736 415569024 /nfs/dbraw/zinc/56/90/24/415569024.db2.gz POUHZRRDMCHZEP-INIZCTEOSA-N 1 0 318.421 0.494 50 0 DCAARO CCc1nnc(N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)s1 ZINC000107634473 415671279 /nfs/dbraw/zinc/67/12/79/415671279.db2.gz CXPOCKAVAVWIJZ-CQSZACIVSA-N 1 0 309.439 0.891 50 0 DCAARO C[N@H+](CC(=O)N[C@@H]1CCCCNC1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000119921716 415749312 /nfs/dbraw/zinc/74/93/12/415749312.db2.gz JPNYSYGHSKQWEQ-GBOPCIDUSA-N 1 0 323.437 0.517 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000299740381 416063746 /nfs/dbraw/zinc/06/37/46/416063746.db2.gz ZDEMXHYNGAXJKF-UPJWGTAASA-N 1 0 305.444 0.320 50 0 DCAARO Cc1cc(C)n(CCN(C)C(=O)CN2CCC[N@H+](C)CC2)n1 ZINC000299775755 416066864 /nfs/dbraw/zinc/06/68/64/416066864.db2.gz IYMUQQPCONFFRF-UHFFFAOYSA-N 1 0 307.442 0.596 50 0 DCAARO [NH3+]CCCOc1ccc(F)cc1C(=O)N1CCOC[C@@H]1CO ZINC000299784718 416067350 /nfs/dbraw/zinc/06/73/50/416067350.db2.gz ILYNZFKOXIGGKM-LBPRGKRZSA-N 1 0 312.341 0.387 50 0 DCAARO C[NH+]1CCN([C@H]2CCN(C(=O)c3cc(O)ccc3F)C2)CC1 ZINC000299782675 416067567 /nfs/dbraw/zinc/06/75/67/416067567.db2.gz VYRXOYYKQGTSIM-LBPRGKRZSA-N 1 0 307.369 0.993 50 0 DCAARO CCn1cc(NC(=O)NC[C@H]2CC[N@H+](CCCOC)C2)nn1 ZINC000299775996 416068328 /nfs/dbraw/zinc/06/83/28/416068328.db2.gz MYZTXOLQRSCYDP-GFCCVEGCSA-N 1 0 310.402 0.778 50 0 DCAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)Cc1cccnc1 ZINC000299802932 416070624 /nfs/dbraw/zinc/07/06/24/416070624.db2.gz SMZHQLAPDPDACB-HNNXBMFYSA-N 1 0 318.421 0.683 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000178605213 416166650 /nfs/dbraw/zinc/16/66/50/416166650.db2.gz QRAYXYAOCBGAGG-OPRDCNLKSA-N 1 0 307.316 0.654 50 0 DCAARO Cn1ccn2ncc(C(=O)NCC[N@@H+]3CCC[C@H](CO)C3)c12 ZINC000215169471 416327159 /nfs/dbraw/zinc/32/71/59/416327159.db2.gz NCHLGHJBVMLZKT-LBPRGKRZSA-N 1 0 305.382 0.107 50 0 DCAARO O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238013206 416329522 /nfs/dbraw/zinc/32/95/22/416329522.db2.gz FXYPFINZCUVCPB-JLLWLGSASA-N 1 0 323.780 0.284 50 0 DCAARO CC(C)n1nccc1NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000239351938 416329967 /nfs/dbraw/zinc/32/99/67/416329967.db2.gz AAUQDUXGJIUYRA-KGLIPLIRSA-N 1 0 323.441 0.789 50 0 DCAARO Cc1cn(CCNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)nn1 ZINC000244678554 416330735 /nfs/dbraw/zinc/33/07/35/416330735.db2.gz IFQUEYVIZABENL-TXEJJXNPSA-N 1 0 318.385 0.050 50 0 DCAARO CCCc1cc(CN(C)C(=O)CN2CC[C@H]([NH+](C)C)C2)[nH]n1 ZINC000244678986 416330959 /nfs/dbraw/zinc/33/09/59/416330959.db2.gz INLQFLYJGCTGBJ-HNNXBMFYSA-N 1 0 307.442 0.957 50 0 DCAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1cnnn1 ZINC000583652717 416482403 /nfs/dbraw/zinc/48/24/03/416482403.db2.gz SCMKJFYOBCIIAO-ZIAGYGMSSA-N 1 0 306.414 0.786 50 0 biogenic DCAARO CC1=C(C(=O)N(C)CC[N@H+](C)C2CC2)[C@H](C)n2nnnc2N1C ZINC000408522052 417167998 /nfs/dbraw/zinc/16/79/98/417167998.db2.gz CIRLAWNPMXPSRE-NSHDSACASA-N 1 0 319.413 0.511 50 0 DCAARO CC(C)n1cnnc1CN(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000647054324 417978169 /nfs/dbraw/zinc/97/81/69/417978169.db2.gz JBPGDFFGWKKEOM-ZDUSSCGKSA-N 1 0 306.414 0.207 50 0 DCAARO COC1CCN(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000658379860 417957049 /nfs/dbraw/zinc/95/70/49/417957049.db2.gz ZLZOCSKNSGQLSB-CQSZACIVSA-N 1 0 317.455 0.418 50 0 DCAARO Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000647886466 418071226 /nfs/dbraw/zinc/07/12/26/418071226.db2.gz UDZZGINFCVPCET-RYUDHWBXSA-N 1 0 302.371 0.430 50 0 DCAARO CC[C@H]1CO[C@H](C)CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261940302 276668023 /nfs/dbraw/zinc/66/80/23/276668023.db2.gz LHHYKNLOBPZHGP-NEPJUHHUSA-N 1 0 307.398 0.842 50 0 DCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3ncc(F)cn3)CC[C@H]21 ZINC000072430548 277023979 /nfs/dbraw/zinc/02/39/79/277023979.db2.gz VIXWDARZJJHZQB-WCQYABFASA-N 1 0 307.373 0.652 50 0 DCAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)on1 ZINC000072268018 280612597 /nfs/dbraw/zinc/61/25/97/280612597.db2.gz LOQWVOYMFSUCGD-KOLCDFICSA-N 1 0 304.354 0.815 50 0 DCAARO C[NH+](C)C1(C(=O)N2CCNC(=O)CC2)Cc2ccccc2C1 ZINC000012453821 289041888 /nfs/dbraw/zinc/04/18/88/289041888.db2.gz ARSVDXPCELXKTG-UHFFFAOYSA-N 1 0 301.390 0.434 50 0 DCAARO COC[C@H](NC(=O)CCN1CC[NH+](C)CC1)c1ccccn1 ZINC000534639335 334310499 /nfs/dbraw/zinc/31/04/99/334310499.db2.gz BUGCPRVJXQGGAR-HNNXBMFYSA-N 1 0 306.410 0.523 50 0 DCAARO COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000158228913 526072035 /nfs/dbraw/zinc/07/20/35/526072035.db2.gz WDOCGVSFWBIZQZ-GDBMZVCRSA-N 1 0 319.405 0.692 50 0 DCAARO [NH3+][C@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000195115610 527397257 /nfs/dbraw/zinc/39/72/57/527397257.db2.gz MVJHYHAPNQLKQT-LBPRGKRZSA-N 1 0 300.362 0.736 50 0 DCAARO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H](C[NH3+])C3CC3)cc12 ZINC000237858887 527687242 /nfs/dbraw/zinc/68/72/42/527687242.db2.gz SHYVBRIABULLNH-LBPRGKRZSA-N 1 0 309.395 0.292 50 0 DCAARO CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277652503 528685189 /nfs/dbraw/zinc/68/51/89/528685189.db2.gz DRGBXXOMRLFTKY-YNEHKIRRSA-N 1 0 306.362 0.398 50 0 DCAARO CC(=O)N1CCCN([C@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)CC1 ZINC000084714466 545702006 /nfs/dbraw/zinc/70/20/06/545702006.db2.gz BJDOVCPLBYQGOR-ZBFHGGJFSA-N 1 0 320.441 0.153 50 0 DCAARO Cn1ccnc1C(=O)N1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000215727677 545938016 /nfs/dbraw/zinc/93/80/16/545938016.db2.gz GVMHOHPERQMKIC-ZDUSSCGKSA-N 1 0 306.410 0.729 50 0 DCAARO O=C(CCCn1cncn1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000219352893 545940030 /nfs/dbraw/zinc/94/00/30/545940030.db2.gz CPMBOBLRHOEPGF-SLBVQIDZSA-N 1 0 319.409 0.426 50 0 DCAARO C[C@H](CCn1cccn1)[NH+]1CCC2(CC1)CN(C)C(=O)CO2 ZINC000670451716 547095782 /nfs/dbraw/zinc/09/57/82/547095782.db2.gz LNMJESNCCYNKDL-CQSZACIVSA-N 1 0 306.410 0.985 50 0 DCAARO CN1C[C@]2(CCN(Cc3nc4ccccc4[nH]3)C2)OCC1=O ZINC000670472355 547101159 /nfs/dbraw/zinc/10/11/59/547101159.db2.gz KMQPHBSZCPFCMG-INIZCTEOSA-N 1 0 300.362 0.996 50 0 DCAARO Cc1nc(C(=O)NCc2ccncc2O[C@H]2CC[NH2+]C2)n(C)n1 ZINC000685941955 548746610 /nfs/dbraw/zinc/74/66/10/548746610.db2.gz FEOYBYDFPIUTQD-LBPRGKRZSA-N 1 0 316.365 0.189 50 0 DCAARO [NH3+][C@H]1COC[C@H]1Oc1cnn(Cc2cc(CO)ccc2F)c1 ZINC000685943249 548748145 /nfs/dbraw/zinc/74/81/45/548748145.db2.gz UHDWZUONAHXUIC-LSDHHAIUSA-N 1 0 307.325 0.668 50 0 DCAARO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000328587650 563929718 /nfs/dbraw/zinc/92/97/18/563929718.db2.gz DSXAKFMOQBRAEM-HKUMRIAESA-N 1 0 300.424 0.410 50 0 DCAARO CN(C)C(=O)[C@](C)(NC[C@H](O)C[N@H+](C)C1CC1)C(F)(F)F ZINC000888095788 661168858 /nfs/dbraw/zinc/16/88/58/661168858.db2.gz WAMDSSRYLYBZHT-JQWIXIFHSA-N 1 0 311.348 0.440 50 0 DCAARO [NH3+]CCn1cc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccn2)nn1 ZINC000888101342 661181149 /nfs/dbraw/zinc/18/11/49/661181149.db2.gz LHAKWYLQYHTBBO-OCCSQVGLSA-N 1 0 314.393 0.773 50 0 DCAARO C[C@H](CCC(=O)N1CCN(Cc2nc[nH]n2)CC1)[NH+]1CCCC1 ZINC000426599020 661630367 /nfs/dbraw/zinc/63/03/67/661630367.db2.gz VBGGQQNGXILEPZ-CQSZACIVSA-N 1 0 320.441 0.713 50 0 DCAARO Cc1nc(CN2CC[C@@H](NC(=O)C[NH+](C)C)[C@H](O)C2)cs1 ZINC000299777159 662681075 /nfs/dbraw/zinc/68/10/75/662681075.db2.gz JQEKEUUZHBNBQU-CHWSQXEVSA-N 1 0 312.439 0.065 50 0 DCAARO C[C@H]([NH2+][C@@H]1COCCN(C(=O)OC(C)(C)C)C1)C(=O)N(C)C ZINC000864086630 667213818 /nfs/dbraw/zinc/21/38/18/667213818.db2.gz HECGXYHWDPWWJG-RYUDHWBXSA-N 1 0 315.414 0.689 50 0 DCAARO CN1CCC([NH+]2CCC(c3nnc(CC(N)=O)[nH]3)CC2)CC1 ZINC000952976372 685600723 /nfs/dbraw/zinc/60/07/23/685600723.db2.gz FKCLNGSISBAZPZ-UHFFFAOYSA-N 1 0 306.414 0.106 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCCOCc2ccccc2)C1 ZINC000952980437 685601120 /nfs/dbraw/zinc/60/11/20/685601120.db2.gz QPLQNWAPPKVDNS-HNNXBMFYSA-N 1 0 319.405 0.517 50 0 DCAARO CCOCC(=O)N1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000952985095 685601740 /nfs/dbraw/zinc/60/17/40/685601740.db2.gz BMQVSTMBZOTMHB-UHFFFAOYSA-N 1 0 311.426 0.474 50 0 DCAARO C[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(F)c(F)c3)CN2C1=O ZINC000014531289 685047768 /nfs/dbraw/zinc/04/77/68/685047768.db2.gz SZMMREGPDOZGFL-DVYJOKAKSA-N 1 0 309.316 0.542 50 0 DCAARO Cc1cc(C)nc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000065408314 685064014 /nfs/dbraw/zinc/06/40/14/685064014.db2.gz NAUAKDFIGBKDJM-CYBMUJFWSA-N 1 0 319.409 0.120 50 0 DCAARO O=C(NC[C@@]1(O)CC[NH2+]C1)c1c[nH]nc1-c1cccc(F)c1 ZINC000072167492 685075411 /nfs/dbraw/zinc/07/54/11/685075411.db2.gz AURJBBOILVADNA-OAHLLOKOSA-N 1 0 304.325 0.670 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CNS(=O)(=O)N2CCCCCC2)C1 ZINC000150849198 685131990 /nfs/dbraw/zinc/13/19/90/685131990.db2.gz YXEFQISDGKTNCH-AWEZNQCLSA-N 1 0 319.471 0.665 50 0 DCAARO C[C@@H](CCc1ccc(O)cc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000388043342 685253772 /nfs/dbraw/zinc/25/37/72/685253772.db2.gz GNRQOLUHMWCWGA-NSHDSACASA-N 1 0 303.366 0.694 50 0 DCAARO Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)s1 ZINC001772702609 1157841717 /nfs/dbraw/zinc/84/17/17/1157841717.db2.gz UGPOGGOYENDTQU-PWSUYJOCSA-N 1 0 302.421 0.259 50 0 DCAARO COc1ccc(CCNC(=O)C[N@H+]2C[C@@H]3[C@@H](O)C[C@@H]3C2)cc1 ZINC001772702366 1157842012 /nfs/dbraw/zinc/84/20/12/1157842012.db2.gz JNNIRWDKPLJDJU-KBMXLJTQSA-N 1 0 304.390 0.667 50 0 DCAARO CCN(CC[NH+]1CCC(C)CC1)C(=O)c1cnc(C(N)=O)cn1 ZINC001772711486 1157848669 /nfs/dbraw/zinc/84/86/69/1157848669.db2.gz ZFCXNOXOGPDLQF-UHFFFAOYSA-N 1 0 319.409 0.770 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(Cc1ccccc1OCCO)C2 ZINC001704327310 1179973590 /nfs/dbraw/zinc/97/35/90/1179973590.db2.gz CBDQKWIKEFWLRZ-HOCLYGCPSA-N 1 0 306.406 0.820 50 0 DCAARO CCNc1ncc(C[N@H+]2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)cn1 ZINC001704353849 1179983096 /nfs/dbraw/zinc/98/30/96/1179983096.db2.gz UIEBGMUMIWOVOU-UKRRQHHQSA-N 1 0 316.409 0.975 50 0 DCAARO C[NH2+]C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H]2OC(C)(C)O[C@@H]12 ZINC000256001562 1183799391 /nfs/dbraw/zinc/79/93/91/1183799391.db2.gz SJXNSGJHLDXAIO-PYSAPBNWSA-N 1 0 320.353 0.045 50 0 DCAARO CNC(=O)c1cccnc1N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000823836615 758279575 /nfs/dbraw/zinc/27/95/75/758279575.db2.gz XPXQKGHDRWEZJW-UHFFFAOYSA-N 1 0 318.421 0.868 50 0 DCAARO COC[C@@H]1CCCN1S(=O)(=O)NC1CC[NH+](C(C)C)CC1 ZINC000824371007 758770821 /nfs/dbraw/zinc/77/08/21/758770821.db2.gz KFJRGHMSKUCMRW-AWEZNQCLSA-N 1 0 319.471 0.804 50 0 DCAARO COCC[N@@H+]1CC[C@H](CNS(=O)(=O)N2CCC(C)CC2)C1 ZINC000824412343 758772890 /nfs/dbraw/zinc/77/28/90/758772890.db2.gz GSMSMIFGNPQYOJ-CQSZACIVSA-N 1 0 319.471 0.521 50 0 DCAARO CS(=O)(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000824864458 758789586 /nfs/dbraw/zinc/78/95/86/758789586.db2.gz MDAPGAGIAGUYLD-SIWZUTFBSA-N 1 0 321.446 0.103 50 0 DCAARO Cc1nc(N)sc1CC(=O)NCCC[N@@H+]1CCC[C@H](O)C1 ZINC000828627399 759048986 /nfs/dbraw/zinc/04/89/86/759048986.db2.gz MOGBQTUVPHJDEA-NSHDSACASA-N 1 0 312.439 0.539 50 0 DCAARO Cc1noc(C)c1CC[N@H+]1CC[C@]2(C1)C(=O)N(C)C(=O)N2C ZINC000581782928 760250085 /nfs/dbraw/zinc/25/00/85/760250085.db2.gz QYUMUYIESVYQOM-HNNXBMFYSA-N 1 0 306.366 0.802 50 0 DCAARO CC[N@H+](C1CN(C(=O)c2ccnn2C)C1)C1CCN(C)CC1 ZINC000581799659 760250765 /nfs/dbraw/zinc/25/07/65/760250765.db2.gz FVLACUWGHAXROZ-UHFFFAOYSA-N 1 0 305.426 0.661 50 0 DCAARO O=C(NCC1CC[NH+](CCn2ccnc2)CC1)[C@H]1CCOC1 ZINC000952868980 768925520 /nfs/dbraw/zinc/92/55/20/768925520.db2.gz CTYQQCTYRKBKJB-HNNXBMFYSA-N 1 0 306.410 0.748 50 0 DCAARO O=C1CC[C@H]([N@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)CCN1CC1CC1 ZINC001529144370 1014504532 /nfs/dbraw/zinc/50/45/32/1014504532.db2.gz ZLGIGWKNBOEKPW-NNXHMXCWSA-N 1 0 322.449 0.841 50 0 DCAARO COCC[NH+]1CCC(C(=O)Nc2nonc2NC(C)=O)CC1 ZINC001529172955 1014514064 /nfs/dbraw/zinc/51/40/64/1014514064.db2.gz UGOOPMWTRQQIIA-UHFFFAOYSA-N 1 0 311.342 0.325 50 0 DCAARO C[C@H](C(=O)Nc1ccnn1C1CC[NH+](C)CC1)n1cncn1 ZINC001506410130 1017257693 /nfs/dbraw/zinc/25/76/93/1017257693.db2.gz DNPCXLDWYWEINR-LLVKDONJSA-N 1 0 303.370 0.941 50 0 DCAARO Cc1nncn1CC[N@H+]1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC001506415864 1017264365 /nfs/dbraw/zinc/26/43/65/1017264365.db2.gz QOYMTSTUZGNQHD-CYBMUJFWSA-N 1 0 302.382 0.915 50 0 DCAARO CCc1c(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)[nH]c(C)c1C(C)=O ZINC000331411027 529476531 /nfs/dbraw/zinc/47/65/31/529476531.db2.gz VFHQDRRWIJIKAR-QWHCGFSZSA-N 1 0 305.378 0.901 50 0 DCAARO COCCC(=O)N[C@H]1C[NH2+][C@H](C(=O)N2CCC(F)(F)CC2)C1 ZINC000067883528 190731511 /nfs/dbraw/zinc/73/15/11/190731511.db2.gz LCZJPVSDMATYMX-MNOVXSKESA-N 1 0 319.352 0.127 50 0 DCAARO Cc1cccc2nc(C(=O)N3CC[C@@](O)(C[NH+](C)C)C3)cn21 ZINC000072121783 191040950 /nfs/dbraw/zinc/04/09/50/191040950.db2.gz HVCHVYKTZUGOOM-MRXNPFEDSA-N 1 0 302.378 0.781 50 0 DCAARO COc1cc(C)ccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCOC1 ZINC000072125442 191041719 /nfs/dbraw/zinc/04/17/19/191041719.db2.gz VYHBLVLNWBGYFY-LBPRGKRZSA-N 1 0 314.407 0.518 50 0 DCAARO COc1coc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)cc1=O ZINC000072123918 191042054 /nfs/dbraw/zinc/04/20/54/191042054.db2.gz BNZJNOLIWNPPME-INIZCTEOSA-N 1 0 324.377 0.567 50 0 DCAARO Cc1cnn(CC2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)c1 ZINC000072146102 191052568 /nfs/dbraw/zinc/05/25/68/191052568.db2.gz ZTTBBLQFYMJUNN-HNNXBMFYSA-N 1 0 306.410 0.809 50 0 DCAARO COc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCOC2)cc1 ZINC000072150643 191055333 /nfs/dbraw/zinc/05/53/33/191055333.db2.gz MJLJMSRPTHOREA-NSHDSACASA-N 1 0 300.380 0.210 50 0 DCAARO CC(=O)c1cc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)[nH]n1 ZINC000072157916 191060777 /nfs/dbraw/zinc/06/07/77/191060777.db2.gz VSRDJLBAKTWQNY-UHFFFAOYSA-N 1 0 313.361 0.891 50 0 DCAARO CN1CCO[C@@H](C[NH2+]C[C@H](O)COCc2cccs2)C1 ZINC000072254049 191088776 /nfs/dbraw/zinc/08/87/76/191088776.db2.gz QUTUCJYCYRROIV-STQMWFEESA-N 1 0 300.424 0.546 50 0 DCAARO Cc1ncc2c(c1CNC(=O)[C@H](C)N1CCCC1=O)CC[NH2+]C2 ZINC000072425187 191159585 /nfs/dbraw/zinc/15/95/85/191159585.db2.gz WEIOZGGIVFTYBZ-LBPRGKRZSA-N 1 0 316.405 0.663 50 0 DCAARO O[C@]1(CN2CCN(CCc3ccccn3)CC2)CCC[NH2+]C1 ZINC000072431024 191163575 /nfs/dbraw/zinc/16/35/75/191163575.db2.gz HMFAJWQIVSBUEF-QGZVFWFLSA-N 1 0 304.438 0.356 50 0 DCAARO Cc1cc(N)n(CC(=O)NCc2c(C)ncc3c2CC[NH2+]C3)n1 ZINC000072463363 191174793 /nfs/dbraw/zinc/17/47/93/191174793.db2.gz GQCUGSRHWUVTOO-UHFFFAOYSA-N 1 0 314.393 0.439 50 0 DCAARO Cc1ccc(N2C[C@H](NC(=O)NCC[NH+](C)C)CC2=O)cc1 ZINC000005123417 181206430 /nfs/dbraw/zinc/20/64/30/181206430.db2.gz UFFPPCNNEURDMH-CYBMUJFWSA-N 1 0 304.394 0.961 50 0 DCAARO Cc1csc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000081247310 192240235 /nfs/dbraw/zinc/24/02/35/192240235.db2.gz OWUSDSLBRPCUHL-GFCCVEGCSA-N 1 0 324.450 0.520 50 0 DCAARO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCOC1 ZINC000237176553 202176708 /nfs/dbraw/zinc/17/67/08/202176708.db2.gz HBHCDQMJCJNAOI-CYBMUJFWSA-N 1 0 314.407 0.178 50 0 DCAARO Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)C1CC[NH2+]CC1 ZINC000237742999 202344773 /nfs/dbraw/zinc/34/47/73/202344773.db2.gz ULINTTQWXFEFSG-UHFFFAOYSA-N 1 0 303.366 0.255 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)Cc2csc(N3CCCNC3=O)n2)C1 ZINC000237916287 202390397 /nfs/dbraw/zinc/39/03/97/202390397.db2.gz YJESGXXULBIJDS-SECBINFHSA-N 1 0 309.395 0.165 50 0 DCAARO CN(C)C(=O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000408523382 239272248 /nfs/dbraw/zinc/27/22/48/239272248.db2.gz JTBCNIYYMZNELB-UHFFFAOYSA-N 1 0 300.399 0.945 50 0 DCAARO [NH3+]CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000006691914 181370814 /nfs/dbraw/zinc/37/08/14/181370814.db2.gz LKPUEUXUOQHTRS-NHCYSSNCSA-N 1 0 300.428 0.177 50 0 DCAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3ncccn3)C2)C1=O ZINC000091350709 193045387 /nfs/dbraw/zinc/04/53/87/193045387.db2.gz SBUTYPSWMBUMEL-INIZCTEOSA-N 1 0 304.394 0.938 50 0 DCAARO CCC[C@H]1CN(C(=O)CN2CCC[N@H+](C)CC2)C[C@@H]1NC(C)=O ZINC000091593284 193076136 /nfs/dbraw/zinc/07/61/36/193076136.db2.gz JQOHRKDTRXUBTO-HOTGVXAUSA-N 1 0 324.469 0.387 50 0 DCAARO CC[N@@H+]1C[C@@H]2CN(c3nc(NC)cc(C)[nH+]3)C[C@]2(C(=O)[O-])C1 ZINC000091486747 193062923 /nfs/dbraw/zinc/06/29/23/193062923.db2.gz CQLYFJFOFXRKAC-IAQYHMDHSA-N 1 0 305.382 0.669 50 0 DCAARO CN1CC[C@@]2(CN(CCn3ccnc3)CC[N@@H+]2C)CCC1=O ZINC000091706763 193095383 /nfs/dbraw/zinc/09/53/83/193095383.db2.gz QDWXWDHMQYMIAM-MRXNPFEDSA-N 1 0 305.426 0.512 50 0 DCAARO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020434240 182217223 /nfs/dbraw/zinc/21/72/23/182217223.db2.gz JUFWSTBDMAHEJE-UONOGXRCSA-N 1 0 309.797 0.711 50 0 DCAARO CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000023387118 182359169 /nfs/dbraw/zinc/35/91/69/182359169.db2.gz MMUCWAFWKHUWKN-OAHLLOKOSA-N 1 0 320.389 0.826 50 0 DCAARO Cn1ccnc1C(=O)N1CCC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000023379691 182359355 /nfs/dbraw/zinc/35/93/55/182359355.db2.gz UENPNWVSYXAOND-NSHDSACASA-N 1 0 303.370 0.023 50 0 DCAARO CC(C)[C@@H](CNC(=O)[C@@H](C)n1cncn1)[NH+]1CCN(C)CC1 ZINC000042582859 183286452 /nfs/dbraw/zinc/28/64/52/183286452.db2.gz AEAHNJNIXDMMPG-ZIAGYGMSSA-N 1 0 308.430 0.227 50 0 DCAARO C[C@@H]1C[NH+](C[C@@H](O)Cn2nnnc2-c2ccccn2)C[C@@H](C)O1 ZINC000106794102 194254864 /nfs/dbraw/zinc/25/48/64/194254864.db2.gz TUPMEEGWQYWOAO-JHJVBQTASA-N 1 0 318.381 0.205 50 0 DCAARO COc1c(C[NH2+]CCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000058404234 184113547 /nfs/dbraw/zinc/11/35/47/184113547.db2.gz VLUCZIBADXHFDB-RYUDHWBXSA-N 1 0 324.425 0.853 50 0 DCAARO CCn1ncc(NC(=O)c2cccc(C[N@H+](C)CCO)c2)n1 ZINC000065488490 184352958 /nfs/dbraw/zinc/35/29/58/184352958.db2.gz UBYJTEUXQFBZGH-UHFFFAOYSA-N 1 0 303.366 0.974 50 0 DCAARO O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000151941546 196750286 /nfs/dbraw/zinc/75/02/86/196750286.db2.gz NAUWMKJCUWTLAX-CABCVRRESA-N 1 0 304.390 0.574 50 0 DCAARO Cc1sc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1S(N)(=O)=O ZINC000521394596 257241155 /nfs/dbraw/zinc/24/11/55/257241155.db2.gz STMTVXNEMRSPJW-SECBINFHSA-N 1 0 317.436 0.657 50 0 DCAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCCn1ccnn1 ZINC000426589063 257246204 /nfs/dbraw/zinc/24/62/04/257246204.db2.gz OXFGGWVFOLDGFL-CYBMUJFWSA-N 1 0 317.397 0.148 50 0 DCAARO Cc1ccc(C(=O)N2CC3(C2)CNC(=O)N3)c(OCCC[NH3+])c1 ZINC000426536283 257248001 /nfs/dbraw/zinc/24/80/01/257248001.db2.gz MKCCNXAKPXWMEO-UHFFFAOYSA-N 1 0 318.377 0.230 50 0 DCAARO C[C@@H](NC(=O)c1cc(F)ccc1OCC[NH3+])c1nncn1C ZINC000426361910 257253507 /nfs/dbraw/zinc/25/35/07/257253507.db2.gz IMLYELDTGFAVMW-SECBINFHSA-N 1 0 307.329 0.783 50 0 DCAARO Cc1cc(C)n(CCC[N@@H+](C)Cc2cc(=O)n3[nH]cnc3n2)n1 ZINC000334159600 257261961 /nfs/dbraw/zinc/26/19/61/257261961.db2.gz LBMGEVZRYUYKOO-UHFFFAOYSA-N 1 0 315.381 0.753 50 0 DCAARO C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@@H]1C[N@H+](C)CCO ZINC000085469925 395701177 /nfs/dbraw/zinc/70/11/77/395701177.db2.gz NPQSRTCSDOQAQD-CABCVRRESA-N 1 0 322.405 0.605 50 0 DCAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CNC(=O)N1 ZINC000089799943 395715329 /nfs/dbraw/zinc/71/53/29/395715329.db2.gz GBRWGPZFYYQMNL-QWRGUYRKSA-N 1 0 308.407 0.683 50 0 DCAARO Cc1cc(N2CCCCC2)nc(NCCNS(C)(=O)=O)[nH+]1 ZINC000036708123 395724469 /nfs/dbraw/zinc/72/44/69/395724469.db2.gz LGAKOEBUWPFBJP-UHFFFAOYSA-N 1 0 313.427 0.736 50 0 DCAARO COC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)Cc2noc(C3CC3)n2)C1 ZINC000095402649 395740433 /nfs/dbraw/zinc/74/04/33/395740433.db2.gz XIISANZGPUGSJR-OLZOCXBDSA-N 1 0 310.398 0.460 50 0 DCAARO C[C@@]1(O)CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C[C@@H]1O ZINC000096133354 395745802 /nfs/dbraw/zinc/74/58/02/395745802.db2.gz HXHHBVXTNQVOKG-GOEBONIOSA-N 1 0 308.378 0.833 50 0 DCAARO COC(=O)[C@H](F)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000107051814 395784702 /nfs/dbraw/zinc/78/47/02/395784702.db2.gz DHRKINHRJKVRHU-SOUVJXGZSA-N 1 0 315.433 0.988 50 0 DCAARO Cc1cc(N2CCN(C(=O)C3CCC3)C[C@@H](O)C2)nc(N)[nH+]1 ZINC000097743178 395760469 /nfs/dbraw/zinc/76/04/69/395760469.db2.gz WJCFURDZMILEHR-LBPRGKRZSA-N 1 0 305.382 0.177 50 0 DCAARO C[NH+]1CCN(CCCNC(=O)c2cccc3nccnc32)CC1 ZINC000097815194 395761006 /nfs/dbraw/zinc/76/10/06/395761006.db2.gz HCSVGARQXOXVPP-UHFFFAOYSA-N 1 0 313.405 0.997 50 0 DCAARO CC(C)(CNC(=O)Cn1cnnn1)[N@@H+]1CCc2ccccc2C1 ZINC000045525952 395763383 /nfs/dbraw/zinc/76/33/83/395763383.db2.gz YLGMLBFARHNBAL-UHFFFAOYSA-N 1 0 314.393 0.626 50 0 DCAARO CC(=O)c1c(C)nn(CC(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)c1C ZINC000102730138 395771441 /nfs/dbraw/zinc/77/14/41/395771441.db2.gz NDXCCMKTQXLBKI-QKDCVEJESA-N 1 0 318.421 0.969 50 0 DCAARO CN1N=C(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC000048260793 395811655 /nfs/dbraw/zinc/81/16/55/395811655.db2.gz VAGZYGUAQFZXCS-AWEZNQCLSA-N 1 0 314.389 0.985 50 0 DCAARO Cc1nnc(CN(C)C(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)o1 ZINC000221222973 395850070 /nfs/dbraw/zinc/85/00/70/395850070.db2.gz IBDGTHTVOFQMQR-GFCCVEGCSA-N 1 0 309.414 0.753 50 0 DCAARO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000237240350 395908240 /nfs/dbraw/zinc/90/82/40/395908240.db2.gz WQFMGXYSHBUMFI-VHSXEESVSA-N 1 0 307.316 0.608 50 0 DCAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000055131900 395912072 /nfs/dbraw/zinc/91/20/72/395912072.db2.gz HBPKDOYZQQEDJF-OAHLLOKOSA-N 1 0 317.389 0.350 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000229560348 395875737 /nfs/dbraw/zinc/87/57/37/395875737.db2.gz HURKSGFQDCUOKR-NUEKZKHPSA-N 1 0 323.437 0.709 50 0 DCAARO C[C@H]1CN(C)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000230080820 395878157 /nfs/dbraw/zinc/87/81/57/395878157.db2.gz ZQRCBRVDZDVERT-STQMWFEESA-N 1 0 305.378 0.791 50 0 DCAARO C[C@H](CCc1ccccc1)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000230178845 395878826 /nfs/dbraw/zinc/87/88/26/395878826.db2.gz NFBJQXGKRMJKOT-ZBFHGGJFSA-N 1 0 315.417 0.898 50 0 DCAARO Cn1cc(-n2cc3[nH]c(N4CC[NH+](C)CC4)ncc-3c2=O)cn1 ZINC000057279588 395942255 /nfs/dbraw/zinc/94/22/55/395942255.db2.gz WXSCTSIXIRHHDU-UHFFFAOYSA-N 1 0 313.365 0.122 50 0 DCAARO CNC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2OC)C[C@H]1CO ZINC000253403059 396027084 /nfs/dbraw/zinc/02/70/84/396027084.db2.gz GWUJBDFACQSJOV-QWHCGFSZSA-N 1 0 308.378 0.490 50 0 DCAARO O=c1[nH]ccnc1N1CCN(CC[N@@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000253536015 396029422 /nfs/dbraw/zinc/02/94/22/396029422.db2.gz CGWWBCWXCQKBCV-UONOGXRCSA-N 1 0 303.410 0.789 50 0 DCAARO Cc1n[nH]c(C)c1CC(=O)N1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067654388 396030070 /nfs/dbraw/zinc/03/00/70/396030070.db2.gz RHQFYIWQCHFTSH-UHFFFAOYSA-N 1 0 319.453 0.807 50 0 DCAARO COc1cc2cc(C[N@H+](C)C[C@H](O)CO)c(=O)[nH]c2cc1OC ZINC000067713347 396031644 /nfs/dbraw/zinc/03/16/44/396031644.db2.gz IMSXEZGKZVYAPR-LBPRGKRZSA-N 1 0 322.361 0.330 50 0 DCAARO Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO ZINC000257176248 396034533 /nfs/dbraw/zinc/03/45/33/396034533.db2.gz AHKDPVPUTZZFFC-GXTWGEPZSA-N 1 0 308.378 0.790 50 0 DCAARO Cc1nc(C[NH3+])cc(NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000067947284 396039546 /nfs/dbraw/zinc/03/95/46/396039546.db2.gz SKIHPZJSHRAQMB-UHFFFAOYSA-N 1 0 307.379 0.503 50 0 DCAARO COCCN(Cc1cccc(OC)c1)C(=O)[C@@H]1C[C@H]([NH3+])CN1C ZINC000067966839 396040570 /nfs/dbraw/zinc/04/05/70/396040570.db2.gz CSPSEZWSCUKVPL-HOCLYGCPSA-N 1 0 321.421 0.702 50 0 DCAARO O=C1NCCNC12CC[NH+](Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000067982635 396041799 /nfs/dbraw/zinc/04/17/99/396041799.db2.gz VNSFFFAWHWZHAP-UHFFFAOYSA-N 1 0 315.377 0.724 50 0 DCAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)C1CCOCC1 ZINC000257365494 396046650 /nfs/dbraw/zinc/04/66/50/396046650.db2.gz CQXNRFADMRRSJN-JSGCOSHPSA-N 1 0 317.455 0.511 50 0 DCAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)CCO1 ZINC000069652606 396086330 /nfs/dbraw/zinc/08/63/30/396086330.db2.gz NRNUKXKQPKUSLI-KGLIPLIRSA-N 1 0 307.398 0.237 50 0 DCAARO CCc1nc2n(n1)C[C@@H]([NH2+]CC(=O)N(C)Cc1ccco1)CC2 ZINC000069700065 396087122 /nfs/dbraw/zinc/08/71/22/396087122.db2.gz YPOQXYAIFTXUBK-LBPRGKRZSA-N 1 0 317.393 0.997 50 0 DCAARO CCOCC[N@@H+]1CCN(c2ccc3nnnn3n2)C[C@H]1CC ZINC000069697907 396087183 /nfs/dbraw/zinc/08/71/83/396087183.db2.gz FJBLVSVZCNHDNL-GFCCVEGCSA-N 1 0 305.386 0.456 50 0 DCAARO C[C@@H](C(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1)n1ccnc1 ZINC000069770357 396089720 /nfs/dbraw/zinc/08/97/20/396089720.db2.gz BHIJCXRBSFKNMR-KBPBESRZSA-N 1 0 308.426 0.995 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@H](O)Cn3cccn3)C2)n1 ZINC000069847500 396091780 /nfs/dbraw/zinc/09/17/80/396091780.db2.gz YEYPURWZKGMPBR-CVEARBPZSA-N 1 0 318.425 0.865 50 0 DCAARO Cc1cc(C[N@H+](C)[C@@H]2CCc3nn(C)c(=O)n3CC2)n(C)n1 ZINC000169783350 396091883 /nfs/dbraw/zinc/09/18/83/396091883.db2.gz SCTSHDKGWLNPHF-GFCCVEGCSA-N 1 0 304.398 0.461 50 0 DCAARO O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262037873 396092610 /nfs/dbraw/zinc/09/26/10/396092610.db2.gz ZZAPOVCYRIEVFC-KGLIPLIRSA-N 1 0 303.362 0.152 50 0 DCAARO CC(=O)N1CCC(C(=O)N2C[C@@H](CO)C3(C2)CC[NH2+]CC3)CC1 ZINC000169789431 396093454 /nfs/dbraw/zinc/09/34/54/396093454.db2.gz JQDHONCSJGSANB-HNNXBMFYSA-N 1 0 323.437 0.065 50 0 DCAARO C[C@H](O)C[NH+]1CCN(CCC(=O)N2CCc3ccccc32)CC1 ZINC000069922963 396095716 /nfs/dbraw/zinc/09/57/16/396095716.db2.gz NBIXUPLQMAFTHO-HNNXBMFYSA-N 1 0 317.433 0.964 50 0 DCAARO Cn1cc(CCC(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)cn1 ZINC000069966599 396096073 /nfs/dbraw/zinc/09/60/73/396096073.db2.gz JZTBGCYLVDYWKE-HNNXBMFYSA-N 1 0 322.453 0.904 50 0 DCAARO C[NH+](C)C[C@@H]1CN(Cc2nc(-c3ccccn3)no2)CCO1 ZINC000069974009 396097398 /nfs/dbraw/zinc/09/73/98/396097398.db2.gz NGVHQJKJYYJLTP-GFCCVEGCSA-N 1 0 303.366 0.894 50 0 DCAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)c1 ZINC000070039488 396099237 /nfs/dbraw/zinc/09/92/37/396099237.db2.gz ROUYNXWPQUHRSW-HNNXBMFYSA-N 1 0 306.410 0.905 50 0 DCAARO CCCC[N@H+](CCO)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000070947305 396107197 /nfs/dbraw/zinc/10/71/97/396107197.db2.gz GQDJVQRMXWKTEW-CQSZACIVSA-N 1 0 314.426 0.883 50 0 DCAARO CC(C)NC(=O)C(=O)NCC[C@H]1C[N@@H+](C2CCCC2)CCO1 ZINC000071278839 396112084 /nfs/dbraw/zinc/11/20/84/396112084.db2.gz VUCTVWGPRAHMCC-AWEZNQCLSA-N 1 0 311.426 0.661 50 0 DCAARO O=C(c1ccccc1-n1cnnn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171443339 396117897 /nfs/dbraw/zinc/11/78/97/396117897.db2.gz ZQPJIQJCDCVTQS-CYBMUJFWSA-N 1 0 312.377 0.973 50 0 DCAARO CC(C)[N@H+](C)CC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000071841492 396118389 /nfs/dbraw/zinc/11/83/89/396118389.db2.gz FVCQQWIRUYNORL-CYBMUJFWSA-N 1 0 309.385 0.926 50 0 DCAARO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839860 396118512 /nfs/dbraw/zinc/11/85/12/396118512.db2.gz AQPNWICGBZHVEG-GFCCVEGCSA-N 1 0 320.393 0.001 50 0 DCAARO COc1ccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1 ZINC000262291788 396118587 /nfs/dbraw/zinc/11/85/87/396118587.db2.gz YQSQRIXZBRKCHL-UHFFFAOYSA-N 1 0 312.391 0.801 50 0 DCAARO COCCCNC(=O)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000071877470 396121879 /nfs/dbraw/zinc/12/18/79/396121879.db2.gz MQHLJRRLOZFWMG-CQSZACIVSA-N 1 0 321.425 0.530 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000071880507 396122523 /nfs/dbraw/zinc/12/25/23/396122523.db2.gz NKYWBHUHENTBKI-HUUCEWRRSA-N 1 0 309.410 0.321 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)N2CCO[C@H](C)C2)n1 ZINC000069491512 396080389 /nfs/dbraw/zinc/08/03/89/396080389.db2.gz DPNTWEFHROFVDW-IUODEOHRSA-N 1 0 321.425 0.607 50 0 DCAARO C[C@H](CNC(=O)N1CCN(Cc2ccon2)CC1)[N@H+](C)C1CC1 ZINC000074100662 396157725 /nfs/dbraw/zinc/15/77/25/396157725.db2.gz DOIXCEVBDAXPPR-CYBMUJFWSA-N 1 0 321.425 0.985 50 0 DCAARO CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000074567390 396168679 /nfs/dbraw/zinc/16/86/79/396168679.db2.gz DFNACROJMABOIN-SNVBAGLBSA-N 1 0 324.347 0.743 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)CC1 ZINC000078896100 396257031 /nfs/dbraw/zinc/25/70/31/396257031.db2.gz WSCYAPICZQFELD-CJNGLKHVSA-N 1 0 322.453 0.092 50 0 DCAARO Cc1ccc2c(c1)c(CNC[C@]1(O)C[NH2+]CCOC1)nn2C ZINC000077342155 396219432 /nfs/dbraw/zinc/21/94/32/396219432.db2.gz ISLGEUBATAXLTG-MRXNPFEDSA-N 1 0 304.394 0.322 50 0 DCAARO Cn1cc(CCC(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)cn1 ZINC000077408076 396221587 /nfs/dbraw/zinc/22/15/87/396221587.db2.gz BITREACFVLLNFB-KRWDZBQOSA-N 1 0 320.437 0.802 50 0 DCAARO Cc1cc(N2CC[C@H]([NH2+]Cc3c(C)cnn3C)C2=O)n(C)n1 ZINC000286296807 396386348 /nfs/dbraw/zinc/38/63/48/396386348.db2.gz CGLDWZJJILOKCK-LBPRGKRZSA-N 1 0 302.382 0.666 50 0 DCAARO COC(=O)c1cc(O)cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000584889444 396633207 /nfs/dbraw/zinc/63/32/07/396633207.db2.gz KQEYRJNZFMEIHK-ZDUSSCGKSA-N 1 0 321.377 0.154 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)N2CCC[C@H](c3ccncn3)C2)CC1 ZINC000584899561 396636184 /nfs/dbraw/zinc/63/61/84/396636184.db2.gz WLWBCUYAYPQQJD-HNNXBMFYSA-N 1 0 317.437 0.820 50 0 DCAARO CCn1cc(-c2noc(CNC(=O)N3CCN(C)CC3)n2)cn1 ZINC000585149207 396642276 /nfs/dbraw/zinc/64/22/76/396642276.db2.gz MPWKALXQZRJFJX-UHFFFAOYSA-N 1 0 319.369 0.410 50 0 DCAARO CC[NH+]1CCN(CC(=O)NC[C@H](O)Cc2ccccc2)CC1 ZINC000304935933 396734696 /nfs/dbraw/zinc/73/46/96/396734696.db2.gz HSJNCOGBCBFVDU-MRXNPFEDSA-N 1 0 305.422 0.344 50 0 DCAARO CCN1C[C@H](C[N@H+](C)CCC(=O)NC(N)=O)Oc2ccccc21 ZINC000011193525 415150841 /nfs/dbraw/zinc/15/08/41/415150841.db2.gz DAXSIUYACVPEBQ-LBPRGKRZSA-N 1 0 320.393 0.791 50 0 DCAARO COC(=O)C1[C@H](c2c[nH]c3ccccc32)[C@H](C(=O)OC)O[N+]1=O ZINC000000192318 415124254 /nfs/dbraw/zinc/12/42/54/415124254.db2.gz GGDHLOFDJQLUTD-WCQYABFASA-N 1 0 318.285 0.863 50 0 DCAARO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000046034423 415254186 /nfs/dbraw/zinc/25/41/86/415254186.db2.gz CEMRXSLSNCIACQ-GFCCVEGCSA-N 1 0 300.428 0.820 50 0 DCAARO CC[NH+]1CCN(c2ncc3c(=O)n(CCOC)cc-3[nH]2)CC1 ZINC000046087110 415256038 /nfs/dbraw/zinc/25/60/38/415256038.db2.gz YTBAQNFHPOGRGE-UHFFFAOYSA-N 1 0 305.382 0.221 50 0 DCAARO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)nn(C)c1C ZINC000050252989 415311631 /nfs/dbraw/zinc/31/16/31/415311631.db2.gz XXTLCGDZKSCXKE-GFCCVEGCSA-N 1 0 300.428 0.800 50 0 DCAARO Cc1cnn(C[C@H](C)[NH2+][C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000075131780 415436360 /nfs/dbraw/zinc/43/63/60/415436360.db2.gz JWLJNFAQGLSRSI-MJBXVCDLSA-N 1 0 321.425 0.282 50 0 DCAARO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@H]1C ZINC000075129328 415436583 /nfs/dbraw/zinc/43/65/83/415436583.db2.gz YMBKNRDJKVHOFV-CHWSQXEVSA-N 1 0 309.454 0.678 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CCCS(N)(=O)=O)n1 ZINC000075604501 415451463 /nfs/dbraw/zinc/45/14/63/415451463.db2.gz ULOKSSVNZQRAKH-CYBMUJFWSA-N 1 0 315.443 0.428 50 0 DCAARO Cc1ccc([C@@H]2C[N@@H+](C(CO)CO)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077518368 415462308 /nfs/dbraw/zinc/46/23/08/415462308.db2.gz LHANCZVRZVSYQG-DLBZAZTESA-N 1 0 318.417 0.642 50 0 DCAARO Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[nH]n1 ZINC000095366860 415554421 /nfs/dbraw/zinc/55/44/21/415554421.db2.gz UJDYBNMOUZLIHU-GFCCVEGCSA-N 1 0 307.398 0.087 50 0 DCAARO O=c1oc2ccccc2n1Cc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000095381258 415556341 /nfs/dbraw/zinc/55/63/41/415556341.db2.gz LHWRRUFATPMAIM-GFCCVEGCSA-N 1 0 315.333 0.223 50 0 DCAARO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3ncccc3C2)CC1=O ZINC000095374574 415559821 /nfs/dbraw/zinc/55/98/21/415559821.db2.gz SPQMHQHFXFVVLJ-AWEZNQCLSA-N 1 0 316.405 0.376 50 0 DCAARO C[NH+]1CCC(C)(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC000097156074 415587270 /nfs/dbraw/zinc/58/72/70/415587270.db2.gz TVVKGGZIAUNTJU-AWEZNQCLSA-N 1 0 319.405 0.637 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN(CC(=O)N(C)Cc2ccco2)C[C@@H]1C ZINC000106869299 415653176 /nfs/dbraw/zinc/65/31/76/415653176.db2.gz FUTGUFYFYRNJHP-KBPBESRZSA-N 1 0 309.410 0.625 50 0 DCAARO CC[C@H]1CN(c2ncnc3c2cnn3C)CC[N@@H+]1C[C@H](C)O ZINC000107136551 415660663 /nfs/dbraw/zinc/66/06/63/415660663.db2.gz SXKBSXRTYFNBTA-RYUDHWBXSA-N 1 0 304.398 0.645 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2nccs2)CC[N@@H+]1C[C@H](C)O ZINC000107351148 415667631 /nfs/dbraw/zinc/66/76/31/415667631.db2.gz QSUUWYJILMVZSC-RYUDHWBXSA-N 1 0 312.439 0.859 50 0 DCAARO Cc1nonc1CNC(=O)[C@@H]1CCCN1C1CC[NH+](C)CC1 ZINC000299801655 416070597 /nfs/dbraw/zinc/07/05/97/416070597.db2.gz ZRZJNBDOWPAYOU-AWEZNQCLSA-N 1 0 307.398 0.553 50 0 DCAARO CCC1(CC)NC(=O)N(CC(=O)N2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000179011162 416180500 /nfs/dbraw/zinc/18/05/00/416180500.db2.gz KHKQZZQWJMJBJA-NSHDSACASA-N 1 0 310.398 0.165 50 0 DCAARO C[C@H](C[S@@](C)=O)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248446463 416333341 /nfs/dbraw/zinc/33/33/41/416333341.db2.gz CONYBARYDKXEFT-MTJIALIYSA-N 1 0 301.456 0.881 50 0 DCAARO C[N@@H+]1C[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)C[C@H]1CO ZINC000215044220 416326911 /nfs/dbraw/zinc/32/69/11/416326911.db2.gz XEPDWOKTRHAKND-NEPJUHHUSA-N 1 0 301.346 0.323 50 0 DCAARO O=C(NCc1cc(Cl)c2c(c1)OCCO2)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238096644 416329792 /nfs/dbraw/zinc/32/97/92/416329792.db2.gz BMRGKIQCVQXQAS-GXSJLCMTSA-N 1 0 312.753 0.450 50 0 DCAARO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000241409031 416330191 /nfs/dbraw/zinc/33/01/91/416330191.db2.gz NDZKSJQLUUURKT-BZUAXINKSA-N 1 0 309.454 0.918 50 0 DCAARO O=C(Cn1ccc(=O)cc1)N[C@@H]([C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000244748652 416330964 /nfs/dbraw/zinc/33/09/64/416330964.db2.gz OLSKAYOIMZHRPF-UKPHBRMFSA-N 1 0 319.405 0.104 50 0 DCAARO Cc1ccc(C(=O)N[C@H](C)c2nc(N)n[nH]2)cc1OCC[NH3+] ZINC000426510319 416772448 /nfs/dbraw/zinc/77/24/48/416772448.db2.gz PAGBYKKEOXTWJZ-SECBINFHSA-N 1 0 304.354 0.524 50 0 DCAARO C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)CS2 ZINC000449653716 417161351 /nfs/dbraw/zinc/16/13/51/417161351.db2.gz CQKLWCUCYQRHPE-PTRXPTGYSA-N 1 0 319.377 0.554 50 0 DCAARO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000528635474 417369346 /nfs/dbraw/zinc/36/93/46/417369346.db2.gz BLMSUEHWXFNKMO-GJZGRUSLSA-N 1 0 309.410 0.498 50 0 DCAARO O=C(NCc1cccc(OCC(F)(F)F)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000299751468 229396655 /nfs/dbraw/zinc/39/66/55/229396655.db2.gz QOUYOOVKLMZEAA-CMPLNLGQSA-N 1 0 318.295 0.967 50 0 DCAARO CN(C)c1ncc(C[NH2+][C@@]2(CO)COc3ccccc3C2)cn1 ZINC000527769935 287705763 /nfs/dbraw/zinc/70/57/63/287705763.db2.gz SUAFLUCCXQKHNN-KRWDZBQOSA-N 1 0 314.389 0.998 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000299740380 278789871 /nfs/dbraw/zinc/78/98/71/278789871.db2.gz ZDEMXHYNGAXJKF-JHJVBQTASA-N 1 0 305.444 0.320 50 0 DCAARO Cc1[nH+]c2ccccc2c(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1C ZINC000097085991 279127892 /nfs/dbraw/zinc/12/78/92/279127892.db2.gz NIFKQTLWBAGLHS-ZDUSSCGKSA-N 1 0 324.384 0.999 50 0 DCAARO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000094345669 288322976 /nfs/dbraw/zinc/32/29/76/288322976.db2.gz XXUVFWNNUQGFQY-PWSUYJOCSA-N 1 0 312.391 0.734 50 0 DCAARO Cn1cc(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2=O)cn1 ZINC000237691971 294249596 /nfs/dbraw/zinc/24/95/96/294249596.db2.gz XYOWXAVLEVWYQS-VXGBXAGGSA-N 1 0 305.382 0.113 50 0 DCAARO C=C1C(C(=O)OCCOC(C)=O)[N+](=O)c2ccccc2N1O ZINC000526055754 333057998 /nfs/dbraw/zinc/05/79/98/333057998.db2.gz SDUZPMKUUSKWTL-UHFFFAOYSA-N 1 0 307.282 0.821 50 0 DCAARO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2ccc3[nH]cnc3c2)CCO1 ZINC000534588391 334293164 /nfs/dbraw/zinc/29/31/64/334293164.db2.gz ZFPNGGTXMDTKFR-SNVBAGLBSA-N 1 0 310.379 0.301 50 0 DCAARO Cn1ccnc1CN1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000534592189 334294547 /nfs/dbraw/zinc/29/45/47/334294547.db2.gz WQWLQGARHLPDSE-CQSZACIVSA-N 1 0 320.441 0.342 50 0 DCAARO Cc1c[nH]c(C[N@@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)n1 ZINC000299775905 533981153 /nfs/dbraw/zinc/98/11/53/533981153.db2.gz LFTZLJNTKOLSEY-FQLMCAECSA-N 1 0 307.394 0.706 50 0 DCAARO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC[C@@H]([NH3+])C1)CC2 ZINC000237394043 522298738 /nfs/dbraw/zinc/29/87/38/522298738.db2.gz WJRXCIIGMGZTAZ-NWDGAFQWSA-N 1 0 323.418 0.611 50 0 DCAARO Cn1c(CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)nc2c1cccc2F ZINC000262521359 534684928 /nfs/dbraw/zinc/68/49/28/534684928.db2.gz NVMRFXQDPOYGJR-KOLCDFICSA-N 1 0 306.341 0.094 50 0 DCAARO O=C(c1cnn2cc(Br)cnc12)N1CC[NH2+]CC1 ZINC000236586851 526891272 /nfs/dbraw/zinc/89/12/72/526891272.db2.gz DBLMGIGHSCCWSU-UHFFFAOYSA-N 1 0 310.155 0.537 50 0 DCAARO CCN(CC)S(=O)(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000240551679 528212062 /nfs/dbraw/zinc/21/20/62/528212062.db2.gz GVIKTDBCMOIFEO-CQSZACIVSA-N 1 0 319.471 0.760 50 0 DCAARO CN(C)S(=O)(=O)CCC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083424171 545698982 /nfs/dbraw/zinc/69/89/82/545698982.db2.gz JDTZDXOSVBHUAM-UHFFFAOYSA-N 1 0 301.416 0.266 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000215713641 545938040 /nfs/dbraw/zinc/93/80/40/545938040.db2.gz IPZVZHVJXLCUCS-INIZCTEOSA-N 1 0 301.394 0.766 50 0 DCAARO O[C@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000670435282 547087938 /nfs/dbraw/zinc/08/79/38/547087938.db2.gz NHJDTZZSGHERHI-IRXDYDNUSA-N 1 0 324.396 0.972 50 0 DCAARO C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3cnc(NCC(=O)[O-])nc3)C[C@H]21 ZINC000670433991 547087985 /nfs/dbraw/zinc/08/79/85/547087985.db2.gz AMZZYDLXENOUPE-XYYAHUGASA-N 1 0 305.382 0.213 50 0 DCAARO Cn1cnc2cc(C(=O)N3C[C@H](O)[C@@H]([NH+]4CCCC4)C3)ccc21 ZINC000670441157 547091546 /nfs/dbraw/zinc/09/15/46/547091546.db2.gz PHGLOUXZUONXKJ-HOTGVXAUSA-N 1 0 314.389 0.854 50 0 DCAARO CS(=O)(=O)CCNC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000670447920 547095401 /nfs/dbraw/zinc/09/54/01/547095401.db2.gz VPGPRSCQMOUTOU-UHFFFAOYSA-N 1 0 318.439 0.038 50 0 DCAARO CCNC(=O)[C@H]1CCN(c2cc(C)[nH+]c(N3CCOCC3)n2)C1 ZINC000670453211 547096615 /nfs/dbraw/zinc/09/66/15/547096615.db2.gz DDWRFJSDSMHOEB-ZDUSSCGKSA-N 1 0 319.409 0.584 50 0 DCAARO CN1C[C@@]2(CCN(Cc3nc4ccccc4[nH]3)C2)OCC1=O ZINC000670472356 547101598 /nfs/dbraw/zinc/10/15/98/547101598.db2.gz KMQPHBSZCPFCMG-MRXNPFEDSA-N 1 0 300.362 0.996 50 0 DCAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000244872740 660602642 /nfs/dbraw/zinc/60/26/42/660602642.db2.gz WDPMDHAFILTFIZ-LBPRGKRZSA-N 1 0 307.398 0.109 50 0 DCAARO COc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC000119326273 661176561 /nfs/dbraw/zinc/17/65/61/661176561.db2.gz HWUORHYIHFATPZ-LBPRGKRZSA-N 1 0 320.393 0.716 50 0 DCAARO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000299922937 659663191 /nfs/dbraw/zinc/66/31/91/659663191.db2.gz VCYQYGBSZGAZPV-GWCFXTLKSA-N 1 0 311.363 0.967 50 0 DCAARO Cn1ccnc1CC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000171632793 664611264 /nfs/dbraw/zinc/61/12/64/664611264.db2.gz ZMMMJYNZTGKRSP-HNNXBMFYSA-N 1 0 303.410 0.932 50 0 DCAARO CC[C@H](CO)Nc1cc(N2CC[N@H+](CCO)C(C)(C)C2)ncn1 ZINC000871101355 664725168 /nfs/dbraw/zinc/72/51/68/664725168.db2.gz NIOVOUCHGGOVJR-CYBMUJFWSA-N 1 0 323.441 0.552 50 0 DCAARO CNc1ncnc2c1cnn2C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000193755187 664941162 /nfs/dbraw/zinc/94/11/62/664941162.db2.gz NLJNDANBSYMWCZ-GFCCVEGCSA-N 1 0 304.398 0.961 50 0 DCAARO O=c1[nH]c(NCCCNc2cccnc2)nc2c1CC[NH2+]C2 ZINC000082092236 670463537 /nfs/dbraw/zinc/46/35/37/670463537.db2.gz GMQDZLGAWKTYLT-UHFFFAOYSA-N 1 0 300.366 0.725 50 0 DCAARO CC1=C(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)OCCO1 ZINC000952963734 685598288 /nfs/dbraw/zinc/59/82/88/685598288.db2.gz IGZCSWGPTVGMLK-CQSZACIVSA-N 1 0 310.394 0.836 50 0 DCAARO Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)C1CC1 ZINC000952965888 685598731 /nfs/dbraw/zinc/59/87/31/685598731.db2.gz UOJTTZAUGQPGQS-OCCSQVGLSA-N 1 0 319.409 0.185 50 0 DCAARO COCC(=O)N1CCC(CNC(=O)[C@@]2(C)CC[N@H+](C)C2)CC1 ZINC000952968908 685599241 /nfs/dbraw/zinc/59/92/41/685599241.db2.gz QPKNITVNNKALKU-INIZCTEOSA-N 1 0 311.426 0.329 50 0 DCAARO CC[NH+]1CCN(CC(=O)N(CCO)Cc2ccccc2C)CC1 ZINC000952972160 685599926 /nfs/dbraw/zinc/59/99/26/685599926.db2.gz FNHIYRJYQNDDCB-UHFFFAOYSA-N 1 0 319.449 0.953 50 0 DCAARO COCCCN(C(=O)Cn1nc(C)nc1C)C1CC[NH+](C)CC1 ZINC000072474001 685075769 /nfs/dbraw/zinc/07/57/69/685075769.db2.gz SRVHVNIKFMMWFU-UHFFFAOYSA-N 1 0 323.441 0.854 50 0 DCAARO CC[N@@H+]1CCC[C@H](c2cn(CCc3c[nH]c(=O)[nH]c3=O)nn2)C1 ZINC000091452585 685103995 /nfs/dbraw/zinc/10/39/95/685103995.db2.gz DLNDDMPBGNZCGI-LBPRGKRZSA-N 1 0 318.381 0.097 50 0 DCAARO Cc1ncoc1C(=O)N[C@H]1C[N@H+](C(CO)CO)C[C@@H]1C(C)C ZINC000091656682 685105597 /nfs/dbraw/zinc/10/55/97/685105597.db2.gz PFYXXOPKGGKSCP-OLZOCXBDSA-N 1 0 311.382 0.022 50 0 DCAARO Cc1ccncc1C(=O)N1CCC[N@H+](CCn2cnnc2)CC1 ZINC001704280622 1179959119 /nfs/dbraw/zinc/95/91/19/1179959119.db2.gz ZJPTXYBXXYZQGJ-UHFFFAOYSA-N 1 0 314.393 0.830 50 0 DCAARO Cn1cc(C(=O)N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)ccc1=O ZINC001704299526 1179965355 /nfs/dbraw/zinc/96/53/55/1179965355.db2.gz SYSGYQIEMPJNPA-RHSMWYFYSA-N 1 0 319.405 0.304 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC001704309208 1179968959 /nfs/dbraw/zinc/96/89/59/1179968959.db2.gz KOXXNLTUCYURIH-GJZGRUSLSA-N 1 0 324.446 0.853 50 0 DCAARO C[N@@H+]1C[C@H]2COC[C@@H]1CN(c1nnnn1-c1ccccc1)C2 ZINC001704315910 1179971125 /nfs/dbraw/zinc/97/11/25/1179971125.db2.gz QPHKGKTYEOZBOZ-OCCSQVGLSA-N 1 0 300.366 0.429 50 0 DCAARO Cc1cc(C)n(CCC[N@@H+](C)CCc2c[nH]c(=O)n(C)c2=O)n1 ZINC001704347866 1179981775 /nfs/dbraw/zinc/98/17/75/1179981775.db2.gz HMUCHQXLQXUJBU-UHFFFAOYSA-N 1 0 319.409 0.864 50 0 DCAARO Cc1nnc([C@H]2CC[N@@H+](CCCO)CCN2C(=O)C(C)C)[nH]1 ZINC000675014672 748026595 /nfs/dbraw/zinc/02/65/95/748026595.db2.gz YKXIJEAHSUOLQQ-CYBMUJFWSA-N 1 0 309.414 0.727 50 0 DCAARO C[C@@H](CNS(=O)(=O)C1CC1)NCC1(C[NH+]2CCCC2)CC1 ZINC000821344939 758171170 /nfs/dbraw/zinc/17/11/70/758171170.db2.gz DKDHMDORVHVYHV-ZDUSSCGKSA-N 1 0 315.483 0.922 50 0 DCAARO C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(C2CCOCC2)CC1 ZINC000821381966 758171977 /nfs/dbraw/zinc/17/19/77/758171977.db2.gz YHWRYAAMFVNPKF-LBPRGKRZSA-N 1 0 304.456 0.653 50 0 DCAARO C[C@H](CCC(=O)NCc1csc(N)n1)[NH+]1CCN(C)CC1 ZINC000821751210 758179560 /nfs/dbraw/zinc/17/95/60/758179560.db2.gz UPZDDAWTBKPPCG-LLVKDONJSA-N 1 0 311.455 0.758 50 0 DCAARO C[N@@H+]1CC[C@](C)(c2nc(CC(N)=O)nn2-c2cccnc2)C1 ZINC000823754954 758264997 /nfs/dbraw/zinc/26/49/97/758264997.db2.gz KXTBMXHQHDUTSS-HNNXBMFYSA-N 1 0 300.366 0.283 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)NCCCc2csc(N)n2)CC1 ZINC000823778322 758266180 /nfs/dbraw/zinc/26/61/80/758266180.db2.gz AOPYZYFNVDUMLN-UHFFFAOYSA-N 1 0 311.455 0.412 50 0 DCAARO COCCN1C[C@@H](C(=O)N2CC[NH+](CC3CCC3)CC2)CC1=O ZINC000824411959 758773054 /nfs/dbraw/zinc/77/30/54/758773054.db2.gz PKGWFGMUWJHJIW-HNNXBMFYSA-N 1 0 323.437 0.426 50 0 DCAARO O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000952848771 768911433 /nfs/dbraw/zinc/91/14/33/768911433.db2.gz JQTYHVZCROTZMZ-NXEZZACHSA-N 1 0 319.327 0.608 50 0 DCAARO C[C@H](NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)c1ccc(O)cc1 ZINC000952874090 768936918 /nfs/dbraw/zinc/93/69/18/768936918.db2.gz URZDJKJLFSHFHA-AAEUAGOBSA-N 1 0 305.378 0.767 50 0 DCAARO Cn1ncc2c1nc(NCC[N@@H+]1CCCC[C@@H]1CO)nc2N ZINC001529117872 1014499589 /nfs/dbraw/zinc/49/95/89/1014499589.db2.gz BWYCVPSKKMMYQK-SNVBAGLBSA-N 1 0 305.386 0.204 50 0 DCAARO CNC(=O)Cn1cc(NC(=O)[C@H](C)C[NH+]2CCCCC2)cn1 ZINC001506428841 1017269828 /nfs/dbraw/zinc/26/98/28/1017269828.db2.gz QZDFJHVBCWLLQR-GFCCVEGCSA-N 1 0 307.398 0.690 50 0 DCAARO COC(CN1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1)OC ZINC000071747263 191020449 /nfs/dbraw/zinc/02/04/49/191020449.db2.gz KTCZDXUHLUTBDR-OAHLLOKOSA-N 1 0 307.394 0.450 50 0 DCAARO COc1ccc(Cn2cc(C(=O)N(C)CC[NH+](C)C)nn2)cc1 ZINC000072151019 191056176 /nfs/dbraw/zinc/05/61/76/191056176.db2.gz GDCHMYVZSHPHSW-UHFFFAOYSA-N 1 0 317.393 0.969 50 0 DCAARO Cc1cc2c(cc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)OCCO2 ZINC000072172857 191069690 /nfs/dbraw/zinc/06/96/90/191069690.db2.gz BSTLDDYIDVJWMW-QGZVFWFLSA-N 1 0 320.389 0.905 50 0 DCAARO Cc1cnn(C[C@H]2CCCC[N@@H+]2CCCS(N)(=O)=O)c1 ZINC000072253319 191087547 /nfs/dbraw/zinc/08/75/47/191087547.db2.gz ORIHRPIZTNUMHZ-CYBMUJFWSA-N 1 0 300.428 0.725 50 0 DCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)Cn3cccc3)CC[C@H]21 ZINC000072420370 191156818 /nfs/dbraw/zinc/15/68/18/191156818.db2.gz PBRMYBKSVHOXHU-LSDHHAIUSA-N 1 0 318.421 0.547 50 0 DCAARO CCn1cnnc1CCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072420262 191156543 /nfs/dbraw/zinc/15/65/43/191156543.db2.gz ALYDPAFAARYWMP-UHFFFAOYSA-N 1 0 312.381 0.704 50 0 DCAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[NH2+]CCO1)CC2 ZINC000072429801 191163505 /nfs/dbraw/zinc/16/35/05/191163505.db2.gz VLPZXLQJNCUSKA-HNNXBMFYSA-N 1 0 306.362 0.577 50 0 DCAARO NC(=O)CC[N@@H+]1CCN(Cc2ccccc2F)[C@@H](CCO)C1 ZINC000072469048 191175232 /nfs/dbraw/zinc/17/52/32/191175232.db2.gz XRHJDSWGJIYJPR-AWEZNQCLSA-N 1 0 309.385 0.570 50 0 DCAARO CCOC(=O)c1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000003468519 181024290 /nfs/dbraw/zinc/02/42/90/181024290.db2.gz VTIKBZMZFQUKFH-UHFFFAOYSA-N 1 0 307.350 0.480 50 0 DCAARO [NH3+]C[C@H]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000178584037 237232652 /nfs/dbraw/zinc/23/26/52/237232652.db2.gz DXSQWGUXNVLEJG-SNVBAGLBSA-N 1 0 316.810 0.921 50 0 DCAARO CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000187772055 200155410 /nfs/dbraw/zinc/15/54/10/200155410.db2.gz RJGMXSSXFYCBKW-ZIAGYGMSSA-N 1 0 321.352 0.378 50 0 DCAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1COCCN1 ZINC000237518113 202269310 /nfs/dbraw/zinc/26/93/10/202269310.db2.gz USWUPZUALQYEOI-KBMXLJTQSA-N 1 0 318.421 0.397 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC[NH2+]1 ZINC000237660553 202322269 /nfs/dbraw/zinc/32/22/69/202322269.db2.gz XMYXVBRTBOFUTR-GFCCVEGCSA-N 1 0 301.346 0.924 50 0 DCAARO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CC[NH2+]1 ZINC000188409949 200241564 /nfs/dbraw/zinc/24/15/64/200241564.db2.gz YPQUCTKXBZNCQY-ZLDLUXBVSA-N 1 0 319.409 0.150 50 0 DCAARO Cc1c(C(=O)NCC[NH3+])nnn1-c1ccc2c(c1)OCCO2 ZINC000262516682 238176446 /nfs/dbraw/zinc/17/64/46/238176446.db2.gz SNOHZYYSLFECMM-UHFFFAOYSA-N 1 0 303.322 0.035 50 0 DCAARO C[NH+](C)CC[C@@H](NC(=O)N1CC(S(C)(=O)=O)C1)C(C)(C)C ZINC000408523576 239273938 /nfs/dbraw/zinc/27/39/38/239273938.db2.gz LKQDQFMDECWVKB-GFCCVEGCSA-N 1 0 319.471 0.791 50 0 DCAARO C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O)C(F)(F)F ZINC000408522972 291345046 /nfs/dbraw/zinc/34/50/46/291345046.db2.gz FTOBOWVVDMPHLY-AEJSXWLSSA-N 1 0 318.361 0.607 50 0 DCAARO CCc1nc(C)sc1CNC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000091562968 193073225 /nfs/dbraw/zinc/07/32/25/193073225.db2.gz UJRWROFEDAUCMC-LLVKDONJSA-N 1 0 324.450 0.827 50 0 DCAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cn(C)cn1)C2 ZINC000092081039 193155471 /nfs/dbraw/zinc/15/54/71/193155471.db2.gz QYQAJFYTOXZZSL-CHWSQXEVSA-N 1 0 312.439 0.915 50 0 DCAARO CCc1ccc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000019818044 182153700 /nfs/dbraw/zinc/15/37/00/182153700.db2.gz ZMNQRPHBIQDCLI-UHFFFAOYSA-N 1 0 304.394 0.209 50 0 DCAARO CCCC[N@H+](C)CCNC(=O)c1c(O)nc2ccccn2c1=O ZINC000020356078 182211252 /nfs/dbraw/zinc/21/12/52/182211252.db2.gz BAZCTMQNLYIESC-UHFFFAOYSA-N 1 0 318.377 0.862 50 0 DCAARO Cc1ccc(SCC[NH2+][C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000023624167 182364321 /nfs/dbraw/zinc/36/43/21/182364321.db2.gz PRJIALPVMFQWQR-QWHCGFSZSA-N 1 0 301.433 0.835 50 0 DCAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCN3CCOCC3)C2=O)cc1 ZINC000101213964 193809090 /nfs/dbraw/zinc/80/90/90/193809090.db2.gz AMXKTDSFPDZZNW-OAHLLOKOSA-N 1 0 317.389 0.549 50 0 DCAARO O=C(c1n[nH]c2c1CCCC2)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072129490 284596819 /nfs/dbraw/zinc/59/68/19/284596819.db2.gz HJVMOCKEZYNALA-MRXNPFEDSA-N 1 0 320.393 0.120 50 0 DCAARO O=C(NCc1cc(F)ccc1Br)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000038039484 182976868 /nfs/dbraw/zinc/97/68/68/182976868.db2.gz MBZFJPBBFNLXFS-KOLCDFICSA-N 1 0 317.158 0.927 50 0 DCAARO O=C(NCc1cc(F)ccc1Br)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000038039485 182977607 /nfs/dbraw/zinc/97/76/07/182977607.db2.gz MBZFJPBBFNLXFS-MWLCHTKSSA-N 1 0 317.158 0.927 50 0 DCAARO NC(=O)[C@H]1CCC[N@H+](CCn2cnc3cc(F)ccc3c2=O)C1 ZINC000042437779 183270201 /nfs/dbraw/zinc/27/02/01/183270201.db2.gz VCHCKIIMSLYICR-NSHDSACASA-N 1 0 318.352 0.733 50 0 DCAARO Cc1csc(N2CCC[N@H+](CCC(=O)NC(N)=O)CC2)n1 ZINC000058147255 184081031 /nfs/dbraw/zinc/08/10/31/184081031.db2.gz NHQKNTYHNOWEMR-UHFFFAOYSA-N 1 0 311.411 0.549 50 0 DCAARO Cc1nn(C)c(N(C)C)c1C[NH2+]CCCN(C)S(C)(=O)=O ZINC000058416407 184115429 /nfs/dbraw/zinc/11/54/29/184115429.db2.gz PVEBIAOEWBXNRJ-UHFFFAOYSA-N 1 0 317.459 0.166 50 0 DCAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000058421048 184115878 /nfs/dbraw/zinc/11/58/78/184115878.db2.gz NCRLLQIQJBMJGZ-ZIAGYGMSSA-N 1 0 305.422 0.988 50 0 DCAARO COc1c(C[NH2+]CCCNS(C)(=O)=O)c(C(C)C)nn1C ZINC000058427975 184116823 /nfs/dbraw/zinc/11/68/23/184116823.db2.gz XJAQSRGQFYVZKQ-UHFFFAOYSA-N 1 0 318.443 0.581 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)N[C@@H](C)Cn2cccn2)CC1 ZINC000065440696 184345686 /nfs/dbraw/zinc/34/56/86/184345686.db2.gz NLLXVXNWRBRYIL-AWEZNQCLSA-N 1 0 309.414 0.635 50 0 DCAARO COc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000261596959 257238134 /nfs/dbraw/zinc/23/81/34/257238134.db2.gz AKAUWSCELYSWJS-CHWSQXEVSA-N 1 0 305.378 0.067 50 0 DCAARO COc1cccc(C[C@H](NC(C)=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000237250870 257239299 /nfs/dbraw/zinc/23/92/99/257239299.db2.gz DAHAQXJKTTXPDE-LRDDRELGSA-N 1 0 319.405 0.563 50 0 DCAARO Cc1sc(C(=O)N2CCCC[C@H]2C[NH3+])cc1S(N)(=O)=O ZINC000521394597 257240840 /nfs/dbraw/zinc/24/08/40/257240840.db2.gz STMTVXNEMRSPJW-VIFPVBQESA-N 1 0 317.436 0.657 50 0 DCAARO Cc1nnc(CNC(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000426549935 257247029 /nfs/dbraw/zinc/24/70/29/257247029.db2.gz MNIJYTGAZZXCGL-ZDUSSCGKSA-N 1 0 323.397 0.774 50 0 DCAARO CC(C)[N@@H+]1CC[C@@H](CN(C)C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000426490407 257248694 /nfs/dbraw/zinc/24/86/94/257248694.db2.gz FTQMEPBQEWCJLT-NSHDSACASA-N 1 0 308.382 0.619 50 0 DCAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000426495621 257248871 /nfs/dbraw/zinc/24/88/71/257248871.db2.gz MXZXXYFYDMROSY-NSHDSACASA-N 1 0 308.382 0.524 50 0 DCAARO Cc1ccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c(=O)n1C ZINC000426424263 257250153 /nfs/dbraw/zinc/25/01/53/257250153.db2.gz NOYFQDKRPLUCBH-KBPBESRZSA-N 1 0 305.378 0.287 50 0 DCAARO CNC(=O)[C@H]1CCCCN1C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426434456 257250590 /nfs/dbraw/zinc/25/05/90/257250590.db2.gz LIGHUVKKTRRIBW-OAHLLOKOSA-N 1 0 319.405 0.694 50 0 DCAARO [NH3+]CCc1nnc(SC[C@H](O)CO)n1-c1ccc(F)cc1 ZINC000426384034 257252476 /nfs/dbraw/zinc/25/24/76/257252476.db2.gz ZGQSQABAZVXGDF-LLVKDONJSA-N 1 0 312.370 0.353 50 0 DCAARO c1cn([C@@H]2COC[C@@H]2[NH2+]Cc2ccc3c(c2)OCCO3)nn1 ZINC000284821646 131114190 /nfs/dbraw/zinc/11/41/90/131114190.db2.gz OEFISPNVUHCCDG-QWHCGFSZSA-N 1 0 302.334 0.779 50 0 DCAARO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285239522 131150184 /nfs/dbraw/zinc/15/01/84/131150184.db2.gz YPBNJFJCRPSWGE-MRXNPFEDSA-N 1 0 323.368 0.096 50 0 DCAARO C[NH+](C)CCCNC(=O)CNc1nc(Cl)nc2nc[nH]c21 ZINC000009047956 395685147 /nfs/dbraw/zinc/68/51/47/395685147.db2.gz BVYQBGGXSAMMSU-UHFFFAOYSA-N 1 0 311.777 0.486 50 0 DCAARO CC[NH+](CC)CCNC(=O)Cn1ncc2ccccc2c1=O ZINC000002285704 395681384 /nfs/dbraw/zinc/68/13/84/395681384.db2.gz MGJSAVITBGGYNK-UHFFFAOYSA-N 1 0 302.378 0.855 50 0 DCAARO COc1cccc(C(=O)N2CCOC[C@H]2C[N@H+](C)CCO)c1 ZINC000085469803 395701011 /nfs/dbraw/zinc/70/10/11/395701011.db2.gz SHODMCQEVFAVHW-CQSZACIVSA-N 1 0 308.378 0.460 50 0 DCAARO CN1N=C(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC1=O ZINC000032355269 395710251 /nfs/dbraw/zinc/71/02/51/395710251.db2.gz HRAVGKGUYOAASF-UHFFFAOYSA-N 1 0 314.389 0.769 50 0 DCAARO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000089689350 395713779 /nfs/dbraw/zinc/71/37/79/395713779.db2.gz NYIUVQCUSXPJPE-HNNXBMFYSA-N 1 0 316.405 0.757 50 0 DCAARO COc1ccccc1OCCNC(=O)CN1CC[N@H+](C)C[C@@H]1C ZINC000089939036 395716881 /nfs/dbraw/zinc/71/68/81/395716881.db2.gz ICXHBISOZXPVLL-AWEZNQCLSA-N 1 0 321.421 0.826 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C)CC1 ZINC000089937286 395717250 /nfs/dbraw/zinc/71/72/50/395717250.db2.gz RXWLVHSKOMDYBK-HOCLYGCPSA-N 1 0 305.426 0.368 50 0 DCAARO CC[C@@H](CO)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000089943594 395717605 /nfs/dbraw/zinc/71/76/05/395717605.db2.gz UPBNGEYCRWBXKP-AWEZNQCLSA-N 1 0 321.425 0.404 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(c2ccccc2F)CC1 ZINC000039519503 395732964 /nfs/dbraw/zinc/73/29/64/395732964.db2.gz LANMZQQYYGPDRD-CQSZACIVSA-N 1 0 321.396 0.931 50 0 DCAARO CC1CCC([NH+]2CCN(CCNS(C)(=O)=O)CC2)CC1 ZINC000096406631 395752923 /nfs/dbraw/zinc/75/29/23/395752923.db2.gz CQEXXACWHLLBRH-UHFFFAOYSA-N 1 0 303.472 0.732 50 0 DCAARO C[NH+]1CCC(O)(CNS(=O)(=O)CC2CCCCC2)CC1 ZINC000096419794 395753464 /nfs/dbraw/zinc/75/34/64/395753464.db2.gz ZJMHWVMOUPIQTQ-UHFFFAOYSA-N 1 0 304.456 0.943 50 0 DCAARO Cc1cc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[NH2+]C3)C2)on1 ZINC000096482508 395753762 /nfs/dbraw/zinc/75/37/62/395753762.db2.gz COEDLTOUKDDPNF-QWHCGFSZSA-N 1 0 320.393 0.703 50 0 DCAARO CC(C)(C[NH2+][C@H]1CC(=O)N(CC(F)(F)F)C1)S(C)(=O)=O ZINC000096494367 395754308 /nfs/dbraw/zinc/75/43/08/395754308.db2.gz XEXDABBGJNIBIV-QMMMGPOBSA-N 1 0 316.345 0.562 50 0 DCAARO Cn1cc(N2CC[C@@H]([NH2+][C@H](CO)c3ccccc3)C2=O)cn1 ZINC000097081908 395755273 /nfs/dbraw/zinc/75/52/73/395755273.db2.gz MUKGMNKPBMBGKP-HUUCEWRRSA-N 1 0 300.362 0.849 50 0 DCAARO CCc1ccc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)o1 ZINC000097228005 395756535 /nfs/dbraw/zinc/75/65/35/395756535.db2.gz HKGQTNZKVOSZKK-UHFFFAOYSA-N 1 0 315.439 0.509 50 0 DCAARO Cc1nn(C)c(C)c1CCNc1c(=O)c(=O)c1NCC[NH+](C)C ZINC000101697879 395766524 /nfs/dbraw/zinc/76/65/24/395766524.db2.gz LYJJHOPJJDMTQK-UHFFFAOYSA-N 1 0 319.409 0.261 50 0 DCAARO C[C@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[NH+](C)C ZINC000046274660 395774678 /nfs/dbraw/zinc/77/46/78/395774678.db2.gz MFCMOCYUVINAEN-CYBMUJFWSA-N 1 0 314.389 0.972 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000048303816 395813229 /nfs/dbraw/zinc/81/32/29/395813229.db2.gz SWPURSLAKUHJLA-LBPRGKRZSA-N 1 0 302.382 0.955 50 0 DCAARO Nc1nc(NCCCN2CCOCC2)cc(C2CC(O)C2)[nH+]1 ZINC000219277696 395844698 /nfs/dbraw/zinc/84/46/98/395844698.db2.gz VVQLPMDLJCQTQO-UHFFFAOYSA-N 1 0 307.398 0.431 50 0 DCAARO O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC([NH+]2CCCCCC2)CC1 ZINC000219565940 395846262 /nfs/dbraw/zinc/84/62/62/395846262.db2.gz MCXGKKABMXFXPE-UHFFFAOYSA-N 1 0 320.393 0.544 50 0 DCAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc(CO)o1)C2 ZINC000219914201 395846946 /nfs/dbraw/zinc/84/69/46/395846946.db2.gz OTXBBSPHYNOBRS-INIZCTEOSA-N 1 0 320.393 0.579 50 0 DCAARO CO[C@@H]1CCOC[C@H]1NC(=O)CN1CCOc2ccccc2C1 ZINC000222475710 395852645 /nfs/dbraw/zinc/85/26/45/395852645.db2.gz MTZSYFRKNSVJGO-GDBMZVCRSA-N 1 0 320.389 0.801 50 0 DCAARO O=C(CN1CCOC1=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000223610025 395855721 /nfs/dbraw/zinc/85/57/21/395855721.db2.gz OYKNCCOBYGWHOH-UHFFFAOYSA-N 1 0 318.377 0.614 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[NH+](C)C)n(C)c1 ZINC000053757410 395888211 /nfs/dbraw/zinc/88/82/11/395888211.db2.gz BTQLIZXMPJLHCH-UHFFFAOYSA-N 1 0 316.427 0.003 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 ZINC000124531556 395900996 /nfs/dbraw/zinc/90/09/96/395900996.db2.gz ZZEWECCMIWLIEN-RPTYSRGTSA-N 1 0 303.362 0.384 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000125240877 395902192 /nfs/dbraw/zinc/90/21/92/395902192.db2.gz CGCDFKWSPWXSIW-GFCCVEGCSA-N 1 0 300.362 0.607 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCc2cccc3[nH]ccc32)C1 ZINC000055282808 395915629 /nfs/dbraw/zinc/91/56/29/395915629.db2.gz XETVMZBYBCBUPQ-CYBMUJFWSA-N 1 0 314.389 0.981 50 0 DCAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000226739703 395867219 /nfs/dbraw/zinc/86/72/19/395867219.db2.gz OCDWKPYPZANZIT-XQQFMLRXSA-N 1 0 305.444 0.272 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C)[nH]c1=O ZINC000067490806 396026984 /nfs/dbraw/zinc/02/69/84/396026984.db2.gz FYOQAEJYZPOWCQ-YPMHNXCESA-N 1 0 320.393 0.094 50 0 DCAARO COc1cccc(CNC(=O)C[NH2+]C2(CO)CCOCC2)c1 ZINC000253419887 396027818 /nfs/dbraw/zinc/02/78/18/396027818.db2.gz CRHWSNPHPBCCOZ-UHFFFAOYSA-N 1 0 308.378 0.443 50 0 DCAARO CCC(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000257184392 396034315 /nfs/dbraw/zinc/03/43/15/396034315.db2.gz UKROAXPQGGAKSM-CQSZACIVSA-N 1 0 323.437 0.568 50 0 DCAARO CC(C)c1cc(C(=O)NCCc2nnc3n2CC[NH2+]CC3)on1 ZINC000067852327 396036144 /nfs/dbraw/zinc/03/61/44/396036144.db2.gz XINMNPDGDPLZTB-UHFFFAOYSA-N 1 0 318.381 0.508 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2scnc2c1 ZINC000067880799 396037840 /nfs/dbraw/zinc/03/78/40/396037840.db2.gz JMMDXDJKNNHODO-ONGXEEELSA-N 1 0 304.375 0.584 50 0 DCAARO CN1CCC2(CC[NH+](CCn3cc[nH]c3=O)CC2)CCC1=O ZINC000252483786 396019975 /nfs/dbraw/zinc/01/99/75/396019975.db2.gz FIFWIENKHOGALL-UHFFFAOYSA-N 1 0 306.410 0.901 50 0 DCAARO O=S1(=O)CC[C@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)C1 ZINC000069739485 396088195 /nfs/dbraw/zinc/08/81/95/396088195.db2.gz RPXQUNGVWTUJMF-QMMMGPOBSA-N 1 0 324.328 0.684 50 0 DCAARO CC(C)c1cc(NC(=O)C[NH2+][C@@H]2CCc3ncnn3C2)on1 ZINC000069740428 396088562 /nfs/dbraw/zinc/08/85/62/396088562.db2.gz OSHKSQVQRYCCCW-SNVBAGLBSA-N 1 0 304.354 0.933 50 0 DCAARO c1nnc2ccc(N3CC[NH+](CCc4ccncc4)CC3)nn12 ZINC000069817105 396091078 /nfs/dbraw/zinc/09/10/78/396091078.db2.gz FSCHTISCWSLSKI-UHFFFAOYSA-N 1 0 309.377 0.884 50 0 DCAARO Cc1nc(CN2CCC[C@H]([NH2+]C[C@H](O)Cn3cccn3)C2)no1 ZINC000069870069 396093189 /nfs/dbraw/zinc/09/31/89/396093189.db2.gz VTFQIZVNNUWHQT-KBPBESRZSA-N 1 0 320.397 0.190 50 0 DCAARO O[C@@H](C[NH2+][C@@H]1CCc2ncnn2C1)COCc1ccccc1 ZINC000069875308 396093584 /nfs/dbraw/zinc/09/35/84/396093584.db2.gz UIGORRLNQJHNBJ-CABCVRRESA-N 1 0 302.378 0.760 50 0 DCAARO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)C1=O ZINC000069899214 396093829 /nfs/dbraw/zinc/09/38/29/396093829.db2.gz YVIFYLYQWHMURC-GFCCVEGCSA-N 1 0 320.397 0.321 50 0 DCAARO CC(C)(O)C[NH+]1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000069902417 396094702 /nfs/dbraw/zinc/09/47/02/396094702.db2.gz HGDAYIQDPCRBDI-UHFFFAOYSA-N 1 0 321.425 0.584 50 0 DCAARO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H]2Cn2cccn2)C1=O ZINC000069930296 396095178 /nfs/dbraw/zinc/09/51/78/396095178.db2.gz BKJKSTCNTXXJDX-LBPRGKRZSA-N 1 0 305.382 0.678 50 0 DCAARO Cc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCc3ncnn3C2)o1 ZINC000069922825 396095700 /nfs/dbraw/zinc/09/57/00/396095700.db2.gz LOTWEBLCTJURAH-GFCCVEGCSA-N 1 0 303.366 0.743 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000071799281 396115471 /nfs/dbraw/zinc/11/54/71/396115471.db2.gz CANZCRXMVDPRNF-ZDUSSCGKSA-N 1 0 300.428 0.839 50 0 DCAARO CC(C)C[N@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000071841168 396118384 /nfs/dbraw/zinc/11/83/84/396118384.db2.gz JRDMAJLROKFRFZ-UHFFFAOYSA-N 1 0 307.398 0.412 50 0 DCAARO CC1CC[NH+](C[C@H](O)CN2CCO[C@H](Cn3cncn3)C2)CC1 ZINC000071877038 396121167 /nfs/dbraw/zinc/12/11/67/396121167.db2.gz BRJWQOTUAZYODE-HOTGVXAUSA-N 1 0 323.441 0.072 50 0 DCAARO C[C@H](O)C[NH+]1CCN(C[C@H](O)COCc2cccs2)CC1 ZINC000071877164 396121383 /nfs/dbraw/zinc/12/13/83/396121383.db2.gz OERKKAULKQRDJC-KBPBESRZSA-N 1 0 314.451 0.624 50 0 DCAARO O=C(C[NH2+]C[C@@H]1CCCN1c1cccnn1)NC1CCOCC1 ZINC000072279443 396129127 /nfs/dbraw/zinc/12/91/27/396129127.db2.gz HRAZTAVZCXHJKN-AWEZNQCLSA-N 1 0 319.409 0.330 50 0 DCAARO C[NH+](C)CCN1C[C@H](C(=O)N2CCc3ccccc3C2)CC1=O ZINC000074164356 396159140 /nfs/dbraw/zinc/15/91/40/396159140.db2.gz YTOGYDKPTSUMRJ-MRXNPFEDSA-N 1 0 315.417 0.981 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)o2)C[C@H]1[NH+](C)C ZINC000076051580 396194102 /nfs/dbraw/zinc/19/41/02/396194102.db2.gz CKVKLNVMZDNPPO-ZYHUDNBSSA-N 1 0 314.407 0.846 50 0 DCAARO CCc1noc([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)n1 ZINC000076057169 396195130 /nfs/dbraw/zinc/19/51/30/396195130.db2.gz DMSIATKIKNVOSM-GARJFASQSA-N 1 0 316.427 0.953 50 0 DCAARO [NH3+]C[C@H]1CCN(C(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000178572665 396199532 /nfs/dbraw/zinc/19/95/32/396199532.db2.gz NKDBNTSMDHHJLD-CQSZACIVSA-N 1 0 303.410 0.011 50 0 DCAARO CC[C@H]1CN(c2ncnc3c2cnn3C)CC[N@@H+]1C[C@@H](C)O ZINC000078766442 396253759 /nfs/dbraw/zinc/25/37/59/396253759.db2.gz SXKBSXRTYFNBTA-NEPJUHHUSA-N 1 0 304.398 0.645 50 0 DCAARO CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](CCn3cncn3)C2)no1 ZINC000078891737 396256004 /nfs/dbraw/zinc/25/60/04/396256004.db2.gz DNHUMBRFAMYQTI-CYBMUJFWSA-N 1 0 319.413 0.991 50 0 DCAARO O=C(c1ncccc1O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000077287351 396217316 /nfs/dbraw/zinc/21/73/16/396217316.db2.gz NQFHXNNIFXWDNH-AWEZNQCLSA-N 1 0 316.405 0.639 50 0 DCAARO Cc1ccc(NCCCNC(=O)c2cn(CC[NH3+])nn2)nc1 ZINC000077299015 396218486 /nfs/dbraw/zinc/21/84/86/396218486.db2.gz HYVGBVFDZAHXGX-UHFFFAOYSA-N 1 0 303.370 0.172 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000077421203 396221989 /nfs/dbraw/zinc/22/19/89/396221989.db2.gz QRIRTDQWXAXQEF-CVEARBPZSA-N 1 0 321.396 0.583 50 0 DCAARO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000269555390 396424175 /nfs/dbraw/zinc/42/41/75/396424175.db2.gz PGHUQIGPWGTRDU-IAGOWNOFSA-N 1 0 318.417 0.948 50 0 DCAARO COCCN1C[C@@H](C[NH2+]C2CSCCSC2)CC1=O ZINC000584895319 396634889 /nfs/dbraw/zinc/63/48/89/396634889.db2.gz SCOMRRGLOCHDBZ-LLVKDONJSA-N 1 0 304.481 0.920 50 0 DCAARO O=C([C@H]1CCCO1)N1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390833371 397303051 /nfs/dbraw/zinc/30/30/51/397303051.db2.gz GQXFHDKWIPVCIE-LXTVHRRPSA-N 1 0 321.421 0.224 50 0 DCAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000366408471 397363662 /nfs/dbraw/zinc/36/36/62/397363662.db2.gz OYBMTXYIANBUPM-SRVKXCTJSA-N 1 0 305.382 0.348 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 ZINC000132681062 196276302 /nfs/dbraw/zinc/27/63/02/196276302.db2.gz GGKDGPARIVMULH-MWLCHTKSSA-N 1 0 309.316 0.877 50 0 DCAARO CN1N=C(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CCC1=O ZINC000044911281 415233055 /nfs/dbraw/zinc/23/30/55/415233055.db2.gz PRIWVUKZDBEHBM-CYBMUJFWSA-N 1 0 322.409 0.308 50 0 DCAARO C[C@@H](CNS(=O)(=O)N1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000044936211 415236048 /nfs/dbraw/zinc/23/60/48/415236048.db2.gz XVIYCIQMWXWQAD-STQMWFEESA-N 1 0 305.444 0.273 50 0 DCAARO Cn1cnc2c1c(=O)n(CCC[NH+]1CCCCCC1)c(=O)n2C ZINC000044875104 415229569 /nfs/dbraw/zinc/22/95/69/415229569.db2.gz GYBPQFSFZWOPKO-UHFFFAOYSA-N 1 0 319.409 0.700 50 0 DCAARO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)nn(C)c1C ZINC000050252990 415315272 /nfs/dbraw/zinc/31/52/72/415315272.db2.gz XXTLCGDZKSCXKE-LBPRGKRZSA-N 1 0 300.428 0.800 50 0 DCAARO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000075132980 415437257 /nfs/dbraw/zinc/43/72/57/415437257.db2.gz YNYBKVLBNFJRLR-MCIONIFRSA-N 1 0 307.398 0.426 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000075133594 415438451 /nfs/dbraw/zinc/43/84/51/415438451.db2.gz RTCBBWZMXBCWDX-OLZOCXBDSA-N 1 0 308.382 0.014 50 0 DCAARO CCc1ncc(C(=O)N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)cn1 ZINC000095357035 415551903 /nfs/dbraw/zinc/55/19/03/415551903.db2.gz IMNUQDVHPSSRSY-HNNXBMFYSA-N 1 0 318.421 0.958 50 0 DCAARO NC(=O)c1cc([C@@H]2CCC[N@H+](CCOC[C@@H]3CCCO3)C2)n[nH]1 ZINC000095402699 415557827 /nfs/dbraw/zinc/55/78/27/415557827.db2.gz HLGPNFAEHWZUSW-OLZOCXBDSA-N 1 0 322.409 0.884 50 0 DCAARO C[NH+](C)CCOCCNC(=O)NCc1ccc2c(c1)OCO2 ZINC000095943001 415564676 /nfs/dbraw/zinc/56/46/76/415564676.db2.gz VQWCHMFSMMUSKP-UHFFFAOYSA-N 1 0 309.366 0.793 50 0 DCAARO O=C(CC[NH+]1CCN(Cc2ccncc2)CC1)N1CCOCC1 ZINC000095977223 415568702 /nfs/dbraw/zinc/56/87/02/415568702.db2.gz ISUPZPYIQJHOBR-UHFFFAOYSA-N 1 0 318.421 0.448 50 0 DCAARO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000106074585 415641909 /nfs/dbraw/zinc/64/19/09/415641909.db2.gz FMCSATAFCSYAIG-MGPQQGTHSA-N 1 0 319.471 0.662 50 0 DCAARO O=C(C[C@H]1CCc2ccccc21)NCC(=O)N1CC[NH2+]CC1 ZINC000097172852 415587324 /nfs/dbraw/zinc/58/73/24/415587324.db2.gz GJQZEIBYCNRTIE-CQSZACIVSA-N 1 0 301.390 0.655 50 0 DCAARO CC1CCC(O)(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000098016298 415589346 /nfs/dbraw/zinc/58/93/46/415589346.db2.gz VQXYZAQJMSFHBZ-MOKVOYLWSA-N 1 0 304.456 0.928 50 0 DCAARO O=C(c1cccc(Cn2cccn2)c1)N1CC[NH2+]C[C@@H](O)C1 ZINC000097785387 415591089 /nfs/dbraw/zinc/59/10/89/415591089.db2.gz HKIAQZVLJQPMOL-OAHLLOKOSA-N 1 0 300.362 0.338 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC000106869168 415650219 /nfs/dbraw/zinc/65/02/19/415650219.db2.gz QYAHEFNWCDMCHN-QLFBSQMISA-N 1 0 312.410 0.544 50 0 DCAARO C[N@H+](CC(=O)N[C@@H]1CCCCNC1=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000119921974 415752046 /nfs/dbraw/zinc/75/20/46/415752046.db2.gz JPNYSYGHSKQWEQ-MXYBEHONSA-N 1 0 323.437 0.517 50 0 DCAARO Cc1ccccc1[C@H](CC(=O)N1CC[NH2+]C[C@H]1C)NC(N)=O ZINC000125335720 415865484 /nfs/dbraw/zinc/86/54/84/415865484.db2.gz GYOKDGACAWQNIW-OCCSQVGLSA-N 1 0 304.394 0.915 50 0 DCAARO CCN(C(=O)c1ccc(OCCC[NH3+])cc1)[C@H]1COC[C@@H]1O ZINC000299762113 416063732 /nfs/dbraw/zinc/06/37/32/416063732.db2.gz VXNIZYRPIINOEO-GJZGRUSLSA-N 1 0 308.378 0.636 50 0 DCAARO C[NH+](C)CC1(O)CCN(c2cc([C@@H]3CCOC3)ncn2)CC1 ZINC000299773251 416065788 /nfs/dbraw/zinc/06/57/88/416065788.db2.gz BTWGDYODGBXWIM-CYBMUJFWSA-N 1 0 306.410 0.873 50 0 DCAARO [NH3+]CCCOc1ccc(C(=O)NCc2cc(=O)[nH]cn2)cc1 ZINC000299772551 416066017 /nfs/dbraw/zinc/06/60/17/416066017.db2.gz BDPZWLWAHTYXMD-UHFFFAOYSA-N 1 0 302.334 0.840 50 0 DCAARO CCNC(=O)c1cccc(NC(=O)NC[C@@]2(O)CC[NH2+]C2)c1 ZINC000299766760 416066150 /nfs/dbraw/zinc/06/61/50/416066150.db2.gz HDDBCNNZSGYPDU-OAHLLOKOSA-N 1 0 306.366 0.282 50 0 DCAARO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[NH2+]CC2 ZINC000299789841 416069110 /nfs/dbraw/zinc/06/91/10/416069110.db2.gz GUQLXLDPNLLVPU-UHFFFAOYSA-N 1 0 317.345 0.526 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](C(=O)NCc2nc(C)cc(=O)[nH]2)C1 ZINC000299786075 416069799 /nfs/dbraw/zinc/06/97/99/416069799.db2.gz LWMPSIIADFXULI-GFCCVEGCSA-N 1 0 308.382 0.465 50 0 DCAARO COCCn1ccnc1CN1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000216310467 416327542 /nfs/dbraw/zinc/32/75/42/416327542.db2.gz RZHMLJIHBOAHLG-GJZGRUSLSA-N 1 0 308.426 0.561 50 0 DCAARO Cn1c(CCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)nc2ccccc21 ZINC000237729694 416328757 /nfs/dbraw/zinc/32/87/57/416328757.db2.gz LRFMFCZMIPJRCT-DGCLKSJQSA-N 1 0 302.378 0.345 50 0 DCAARO Cn1nncc1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000241590463 416330008 /nfs/dbraw/zinc/33/00/08/416330008.db2.gz PFCRWZDAWMUCET-ZIAGYGMSSA-N 1 0 315.377 0.180 50 0 DCAARO C[N@H+](CCN(C(=O)[C@H]1CCc2n[nH]nc2C1)C1CC1)C1CC1 ZINC000240707816 416330163 /nfs/dbraw/zinc/33/01/63/416330163.db2.gz HQRJKTZAKDBINP-NSHDSACASA-N 1 0 303.410 0.995 50 0 DCAARO CCn1ccnc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000242167711 416330486 /nfs/dbraw/zinc/33/04/86/416330486.db2.gz WYTLUMXEHPGCAE-VXGBXAGGSA-N 1 0 300.428 0.663 50 0 DCAARO Cc1ccc(C2(O)CC[NH+](CCn3cc[nH]c3=O)CC2)nc1 ZINC000244633457 416330524 /nfs/dbraw/zinc/33/05/24/416330524.db2.gz GDJACMITTPYGJI-UHFFFAOYSA-N 1 0 302.378 0.863 50 0 DCAARO CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246488064 416331916 /nfs/dbraw/zinc/33/19/16/416331916.db2.gz DNNPNMJYUWLACF-RVMXOQNASA-N 1 0 302.440 0.847 50 0 DCAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2nc(N)nc(N(C)C)n2)C1 ZINC000426574916 416773555 /nfs/dbraw/zinc/77/35/55/416773555.db2.gz MGJOBSBJMVUTHL-LLVKDONJSA-N 1 0 321.429 0.256 50 0 DCAARO CC(=O)N1CC[C@@]([NH3+])(C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000643779445 417355691 /nfs/dbraw/zinc/35/56/91/417355691.db2.gz BPQJJXJUICEUDC-INIZCTEOSA-N 1 0 302.378 0.849 50 0 DCAARO Cc1cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)ccc1F ZINC000528055348 417298535 /nfs/dbraw/zinc/29/85/35/417298535.db2.gz FEXDDIJHAZUBKI-UHFFFAOYSA-N 1 0 302.371 0.920 50 0 DCAARO Cn1cc(CCC(=O)NC[C@H](O)C[NH+]2CCCCCC2)cn1 ZINC000215850697 545938287 /nfs/dbraw/zinc/93/82/87/545938287.db2.gz VEARGGKBAHGAHE-HNNXBMFYSA-N 1 0 308.426 0.706 50 0 DCAARO O=C(NCc1cccc(OCC(F)(F)F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299751469 229395176 /nfs/dbraw/zinc/39/51/76/229395176.db2.gz QOUYOOVKLMZEAA-JQWIXIFHSA-N 1 0 318.295 0.967 50 0 DCAARO Cc1cc(C)nc(-n2nccc2NC(=O)NCC[NH+](C)C)n1 ZINC000170608540 274693746 /nfs/dbraw/zinc/69/37/46/274693746.db2.gz KYUUIVMVHBFOKJ-UHFFFAOYSA-N 1 0 303.370 0.962 50 0 DCAARO CCCN1CCC[C@@]2(CC[N@H+](CC(=O)N3CCOCC3)C2)C1=O ZINC000091915520 276009698 /nfs/dbraw/zinc/00/96/98/276009698.db2.gz OIWUVRZYHVPMIS-KRWDZBQOSA-N 1 0 323.437 0.570 50 0 DCAARO [NH3+]C[C@H]1CCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 ZINC000299740267 279655628 /nfs/dbraw/zinc/65/56/28/279655628.db2.gz XSWKMTAAOPHRNC-OAHLLOKOSA-N 1 0 303.406 0.940 50 0 DCAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000237615769 297016930 /nfs/dbraw/zinc/01/69/30/297016930.db2.gz JJEQNEGSXYMHMX-XGUBFFRZSA-N 1 0 311.426 0.075 50 0 DCAARO Cn1cc([C@@]2(C)CN(C(=O)C[NH2+]C[C@H]3CCCO3)CCO2)cn1 ZINC000237709602 294291875 /nfs/dbraw/zinc/29/18/75/294291875.db2.gz OPRBYKXPJXHELP-GDBMZVCRSA-N 1 0 322.409 0.263 50 0 DCAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CCCNC(=O)C2)c1 ZINC000299786435 295185738 /nfs/dbraw/zinc/18/57/38/295185738.db2.gz KOHZIQHWFNORGT-UHFFFAOYSA-N 1 0 321.377 0.385 50 0 DCAARO CCn1cncc1CNC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000534593170 334294866 /nfs/dbraw/zinc/29/48/66/334294866.db2.gz ZKFZMVJFVUYMJL-HNNXBMFYSA-N 1 0 305.426 0.736 50 0 DCAARO CN1CC[NH+](CC2(CNC(=O)CCCc3cn[nH]c3)CC2)CC1 ZINC000534661744 334322021 /nfs/dbraw/zinc/32/20/21/334322021.db2.gz PQIFXYXRKQFVIQ-UHFFFAOYSA-N 1 0 319.453 0.876 50 0 DCAARO Cc1oc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1S(N)(=O)=O ZINC000154262959 534538011 /nfs/dbraw/zinc/53/80/11/534538011.db2.gz VVQQDXRTTKMWLZ-YUMQZZPRSA-N 1 0 301.368 0.058 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000262578325 522050156 /nfs/dbraw/zinc/05/01/56/522050156.db2.gz MCOWTNGLWASAIN-LBPRGKRZSA-N 1 0 321.377 0.383 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@@H](C)C2)ccc1F ZINC000237345384 522259956 /nfs/dbraw/zinc/25/99/56/522259956.db2.gz LCQIEQGFSAJMTI-VIFPVBQESA-N 1 0 315.370 0.168 50 0 DCAARO C[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000158448988 524119544 /nfs/dbraw/zinc/11/95/44/524119544.db2.gz GEFVNIVUBOWWIM-JQWIXIFHSA-N 1 0 314.382 0.938 50 0 DCAARO Cc1cccc([C@H](CC(=O)N2CC[NH2+][C@@H](C)C2)NC(N)=O)c1 ZINC000299739381 534761843 /nfs/dbraw/zinc/76/18/43/534761843.db2.gz NUANDCLARUHJSG-JSGCOSHPSA-N 1 0 304.394 0.915 50 0 DCAARO Cc1ccccc1[C@H](CC(=O)N1CC[NH2+]C[C@@H]1C)NC(N)=O ZINC000126430267 525421529 /nfs/dbraw/zinc/42/15/29/525421529.db2.gz GYOKDGACAWQNIW-JSGCOSHPSA-N 1 0 304.394 0.915 50 0 DCAARO O=C(CCCn1cncn1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000084618653 545702114 /nfs/dbraw/zinc/70/21/14/545702114.db2.gz AXVGLTPNHJIJKU-KBPBESRZSA-N 1 0 307.398 0.116 50 0 DCAARO COc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)c(OC)n1 ZINC000218822171 545940220 /nfs/dbraw/zinc/94/02/20/545940220.db2.gz JUCGUFPTEZNOQU-GJQVQUKXSA-N 1 0 321.377 0.546 50 0 DCAARO C[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)n1cc(Cl)cn1 ZINC000222736615 545942679 /nfs/dbraw/zinc/94/26/79/545942679.db2.gz XRLILPOFFIMJTC-JTQLQIEISA-N 1 0 300.790 0.670 50 0 DCAARO Cc1nncn1CCN1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000670439104 547091564 /nfs/dbraw/zinc/09/15/64/547091564.db2.gz KPRHMXNZSYCERW-UHFFFAOYSA-N 1 0 302.386 0.089 50 0 DCAARO CN(C)c1nc2c(c(N3CC[N@H+](C)[C@H](CCO)C3)n1)CCCC2 ZINC000670442948 547091968 /nfs/dbraw/zinc/09/19/68/547091968.db2.gz JTCWJFUEVNVYFI-CYBMUJFWSA-N 1 0 319.453 0.924 50 0 DCAARO Cc1cc(N2CCN(C(=O)C[C@@H]3CCCOC3)CC2)nc(N)[nH+]1 ZINC000670451534 547096773 /nfs/dbraw/zinc/09/67/73/547096773.db2.gz YPGTYPCPAUTSDD-ZDUSSCGKSA-N 1 0 319.409 0.833 50 0 DCAARO CN1CCC(CNC(=O)CCN2CCCC2=O)([NH+](C)C)CC1 ZINC000670463514 547098727 /nfs/dbraw/zinc/09/87/27/547098727.db2.gz XFPHFWXUAGZSRS-UHFFFAOYSA-N 1 0 310.442 0.141 50 0 DCAARO CCCn1nccc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000670462286 547098881 /nfs/dbraw/zinc/09/88/81/547098881.db2.gz BJGRQYKXODIUHQ-GFCCVEGCSA-N 1 0 300.428 0.865 50 0 DCAARO COc1nc(N2CC[N@H+](CC3CC3)[C@H](CCO)C2)ncc1F ZINC000670460178 547099085 /nfs/dbraw/zinc/09/90/85/547099085.db2.gz XBPKTJKULMHZKV-GFCCVEGCSA-N 1 0 310.373 0.907 50 0 DCAARO O=C(c1[nH]nc2c1COCC2)N1CCN(c2ccccn2)CC1 ZINC000170239953 568413807 /nfs/dbraw/zinc/41/38/07/568413807.db2.gz QOZBCPXVMZNZGR-UHFFFAOYSA-N 1 0 313.361 0.840 50 0 DCAARO O[C@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1N1CCOCC1 ZINC000020538206 659681022 /nfs/dbraw/zinc/68/10/22/659681022.db2.gz CMEIJCZOAXPDKB-GJZGRUSLSA-N 1 0 304.350 0.100 50 0 DCAARO O=C(NCCc1ncc[nH]1)C1CC[NH+](C2CCOCC2)CC1 ZINC000426503610 661606279 /nfs/dbraw/zinc/60/62/79/661606279.db2.gz UGAPEQODGPPMER-UHFFFAOYSA-N 1 0 306.410 0.959 50 0 DCAARO Cc1nncn1CC[N@@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299780481 662679864 /nfs/dbraw/zinc/67/98/64/662679864.db2.gz NTPXAQKYBAIKJU-FZKCQIBNSA-N 1 0 322.409 0.075 50 0 DCAARO C[C@@H](Cc1ccsc1)NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952966496 685599093 /nfs/dbraw/zinc/59/90/93/685599093.db2.gz KAUMLQQYSZSSOA-WCQYABFASA-N 1 0 309.435 0.993 50 0 DCAARO C[C@H](Cc1ccsc1)NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952966494 685599218 /nfs/dbraw/zinc/59/92/18/685599218.db2.gz KAUMLQQYSZSSOA-DGCLKSJQSA-N 1 0 309.435 0.993 50 0 DCAARO Cc1cc(=O)c(C(=O)N(C)C[C@H]2CCC[N@H+](CCO)C2)cn1C ZINC000952979346 685601047 /nfs/dbraw/zinc/60/10/47/685601047.db2.gz UOLZIPFWHOWOCS-CQSZACIVSA-N 1 0 321.421 0.470 50 0 DCAARO Cc1cccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952984899 685601895 /nfs/dbraw/zinc/60/18/95/685601895.db2.gz YHJWRNUNPMRWOD-OLZOCXBDSA-N 1 0 304.394 0.765 50 0 DCAARO C[C@H](CNS(=O)(=O)N1CCN(C)CC1)c1nccs1 ZINC000952995448 685603458 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CCCn1cc(S(=O)(=O)NCCNc2cc[nH+]cc2C)cn1 ZINC000823033094 758218858 /nfs/dbraw/zinc/21/88/58/758218858.db2.gz LVQUZTLMFDCPSE-UHFFFAOYSA-N 1 0 323.422 0.809 50 0 DCAARO CCCn1nccc1S(=O)(=O)NC[C@]1(C)CC[N@H+](C)C1 ZINC000823032920 758219375 /nfs/dbraw/zinc/21/93/75/758219375.db2.gz FFHPECGROOVBHH-ZDUSSCGKSA-N 1 0 300.428 0.913 50 0 DCAARO CCCn1nccc1S(=O)(=O)NCCNc1cc[nH+]cc1C ZINC000823033474 758219718 /nfs/dbraw/zinc/21/97/18/758219718.db2.gz WGRMBWJIKLVXRR-UHFFFAOYSA-N 1 0 323.422 0.809 50 0 DCAARO O=C(NCCCn1cc(Cl)cn1)NC[C@@]1(O)CCC[NH2+]C1 ZINC000828022234 758916586 /nfs/dbraw/zinc/91/65/86/758916586.db2.gz TWHFFYRSNNZWHU-CYBMUJFWSA-N 1 0 315.805 0.340 50 0 DCAARO O=C(NCCN1CCCOCC1)c1[nH]ncc1Br ZINC000952876049 768937465 /nfs/dbraw/zinc/93/74/65/768937465.db2.gz YDHVIELQLYNGQT-UHFFFAOYSA-N 1 0 317.187 0.624 50 0 DCAARO C[NH+]1CCC(NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1 ZINC001529103905 1014496033 /nfs/dbraw/zinc/49/60/33/1014496033.db2.gz HUMOSZYPGPZAOH-CVEARBPZSA-N 1 0 317.389 0.453 50 0 DCAARO Cc1ccc(C[N@H+]2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)cc1 ZINC001529188834 1014517515 /nfs/dbraw/zinc/51/75/15/1014517515.db2.gz DRSZHDPGAUJLCX-LSDHHAIUSA-N 1 0 312.435 0.679 50 0 DCAARO CC(C)N1C(=O)CO[C@H](C(=O)NCC[NH3+])[C@H]1c1ccccc1 ZINC001529191044 1014517994 /nfs/dbraw/zinc/51/79/94/1014517994.db2.gz SIYFJBOCXDZUJM-CABCVRRESA-N 1 0 305.378 0.438 50 0 DCAARO C[C@@H](C(=O)NC(C)(C)C)n1ncc(N2CC[NH2+]CC2)cc1=O ZINC000095508954 185376003 /nfs/dbraw/zinc/37/60/03/185376003.db2.gz IZKXMXKJOQIFMM-NSHDSACASA-N 1 0 307.398 0.129 50 0 DCAARO O=S(=O)(Cc1ccc(F)cc1)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082160432 185173991 /nfs/dbraw/zinc/17/39/91/185173991.db2.gz SAHWZOWMEIIQJP-UHFFFAOYSA-N 1 0 324.381 0.745 50 0 DCAARO CO[C@@H](C[NH3+])CC(=O)N1CCCN(c2nc(C)ns2)CC1 ZINC000328588663 231232349 /nfs/dbraw/zinc/23/23/49/231232349.db2.gz UUKHLYDIDITJCS-LLVKDONJSA-N 1 0 313.427 0.249 50 0 DCAARO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000095432075 185363449 /nfs/dbraw/zinc/36/34/49/185363449.db2.gz ZDQYAIQNQOZSQV-HLLBOEOZSA-N 1 0 314.470 0.846 50 0 DCAARO CCOCCN1CC[N@H+](CCOCC)C[C@@H]1C(=O)N(C)C ZINC000229879743 201854168 /nfs/dbraw/zinc/85/41/68/201854168.db2.gz ARYOECCRJHDXEB-CQSZACIVSA-N 1 0 301.431 0.134 50 0 DCAARO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000084005399 192395357 /nfs/dbraw/zinc/39/53/57/192395357.db2.gz PLEXMSLXDNICGB-MFKMUULPSA-N 1 0 317.393 0.282 50 0 DCAARO Cc1ccc2c(c1)c(CNC(=O)c1cn(CC[NH3+])nn1)nn2C ZINC000071736001 191019492 /nfs/dbraw/zinc/01/94/92/191019492.db2.gz JDNBHXPHTUMGLE-UHFFFAOYSA-N 1 0 313.365 0.362 50 0 DCAARO c1nncn1CCNc1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000072145986 191053228 /nfs/dbraw/zinc/05/32/28/191053228.db2.gz HEHIAMBEVOKRSZ-UHFFFAOYSA-N 1 0 308.349 0.845 50 0 DCAARO CCc1ccc(CN2CC[NH2+][C@@H](C(=O)N3CCN(C)CC3)C2)o1 ZINC000072169275 191068063 /nfs/dbraw/zinc/06/80/63/191068063.db2.gz URAJCYVDOKGVKW-MRXNPFEDSA-N 1 0 320.437 0.390 50 0 DCAARO C[NH+](C)C[C@]1(O)CCN(CCCOc2ccc(C(N)=O)cc2)C1 ZINC000072174068 191069176 /nfs/dbraw/zinc/06/91/76/191069176.db2.gz SOEHSPLFROKIGR-QGZVFWFLSA-N 1 0 321.421 0.553 50 0 DCAARO CC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000072447549 191168581 /nfs/dbraw/zinc/16/85/81/191168581.db2.gz CWFPRAMHMHWECR-CVEARBPZSA-N 1 0 316.401 0.859 50 0 DCAARO CC[NH+](CC)CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000002499824 180927828 /nfs/dbraw/zinc/92/78/28/180927828.db2.gz CROXUDSHGJTNPN-LBPRGKRZSA-N 1 0 305.444 0.116 50 0 DCAARO COCCN1CCC[C@]2(CC[N@H+](CCc3cnn(C)c3)C2)C1=O ZINC000091410544 193052169 /nfs/dbraw/zinc/05/21/69/193052169.db2.gz QVTMPCLYGRVUTN-QGZVFWFLSA-N 1 0 320.437 0.924 50 0 DCAARO CS(=O)(=O)N[C@H]1C[N@H+](CCc2ccccn2)C[C@@H]1C1CC1 ZINC000091526578 193069498 /nfs/dbraw/zinc/06/94/98/193069498.db2.gz HDTZMEPOQSZYOP-CABCVRRESA-N 1 0 309.435 0.884 50 0 DCAARO CCC[C@H]1CN(C(=O)CCc2ccc(=O)[nH]n2)C[C@@H]1[NH+](C)C ZINC000091562909 193073733 /nfs/dbraw/zinc/07/37/33/193073733.db2.gz CNAFZJUXVFTREH-JSGCOSHPSA-N 1 0 306.410 0.891 50 0 DCAARO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCCNS(C)(=O)=O ZINC000089919303 291351874 /nfs/dbraw/zinc/35/18/74/291351874.db2.gz ILNYIEBUZQTOQJ-AAEUAGOBSA-N 1 0 306.428 0.637 50 0 DCAARO CN(C)CC[N@H+](C)C[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1CO ZINC000091747004 193101313 /nfs/dbraw/zinc/10/13/13/193101313.db2.gz RHEXUDQBZGSFAO-HUUCEWRRSA-N 1 0 309.410 0.454 50 0 DCAARO Cc1nnc(CN2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)s1 ZINC000091943059 193130130 /nfs/dbraw/zinc/13/01/30/193130130.db2.gz BSIRUCTUCFNXHB-AWEZNQCLSA-N 1 0 309.439 0.633 50 0 DCAARO Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000095385370 193442001 /nfs/dbraw/zinc/44/20/01/193442001.db2.gz PVJSLJHENXMHBE-CYBMUJFWSA-N 1 0 304.394 0.416 50 0 DCAARO COCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127467 182349405 /nfs/dbraw/zinc/34/94/05/182349405.db2.gz RFULNJAQNJLSTC-UHFFFAOYSA-N 1 0 323.393 0.370 50 0 DCAARO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000040268293 183049993 /nfs/dbraw/zinc/04/99/93/183049993.db2.gz RJDSKONZOOHFCP-UHFFFAOYSA-N 1 0 304.272 0.765 50 0 DCAARO O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000040855950 183143053 /nfs/dbraw/zinc/14/30/53/183143053.db2.gz OVIRACXPWNSNHH-UWVGGRQHSA-N 1 0 304.268 0.924 50 0 DCAARO CC(=O)N1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000042542369 183282604 /nfs/dbraw/zinc/28/26/04/183282604.db2.gz DQUNTLVNOXRSLE-UHFFFAOYSA-N 1 0 322.453 0.284 50 0 DCAARO Cc1nn(C)c(N(C)C)c1C[NH2+]CCN1C[C@H](C)O[C@@H](C)C1 ZINC000058392159 184111242 /nfs/dbraw/zinc/11/12/42/184111242.db2.gz XDKANALBYMWFRP-STQMWFEESA-N 1 0 309.458 0.993 50 0 DCAARO CCn1c(=O)c(C(=O)NCC[NH+](CC)CC)nc2cccnc21 ZINC000065282741 184320841 /nfs/dbraw/zinc/32/08/41/184320841.db2.gz KFLZQRWQWAEAMU-UHFFFAOYSA-N 1 0 317.393 0.883 50 0 DCAARO CC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000065439567 184345236 /nfs/dbraw/zinc/34/52/36/184345236.db2.gz PRSPKIQDCYETBX-RYUDHWBXSA-N 1 0 303.428 0.062 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H]1CCCN1C ZINC000065478058 184352568 /nfs/dbraw/zinc/35/25/68/184352568.db2.gz HHCNLHXPHYTEKR-AWEZNQCLSA-N 1 0 307.442 0.749 50 0 DCAARO O=C(C[NH2+]CCCN1CCOCC1)NCc1ccccc1F ZINC000065397306 184335882 /nfs/dbraw/zinc/33/58/82/184335882.db2.gz VNGRTUSVKKPKDU-UHFFFAOYSA-N 1 0 309.385 0.754 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000065554923 184366291 /nfs/dbraw/zinc/36/62/91/184366291.db2.gz URKHKSCKKPBGBU-LBPRGKRZSA-N 1 0 310.398 0.164 50 0 DCAARO O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000151941630 196749906 /nfs/dbraw/zinc/74/99/06/196749906.db2.gz NAUWMKJCUWTLAX-HUUCEWRRSA-N 1 0 304.390 0.574 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1onc2c1CCCC2 ZINC000426405457 257251900 /nfs/dbraw/zinc/25/19/00/257251900.db2.gz FRSJRRHUSSHGBS-SKDRFNHKSA-N 1 0 306.366 0.231 50 0 DCAARO COc1cc(CNC(=O)NC[C@@H]2CC[NH2+]C[C@H]2O)cc(OC)c1 ZINC000426389712 257252640 /nfs/dbraw/zinc/25/26/40/257252640.db2.gz PMQSMBJRHZRDJR-SWLSCSKDSA-N 1 0 323.393 0.473 50 0 DCAARO CC(=O)N1CCN(C(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000426371202 257252945 /nfs/dbraw/zinc/25/29/45/257252945.db2.gz RPPDGGAJMUVTEQ-CQSZACIVSA-N 1 0 319.409 0.041 50 0 DCAARO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccnn3CC(F)F)[C@H]2C1 ZINC000285645311 131190142 /nfs/dbraw/zinc/19/01/42/131190142.db2.gz FPOHVOXPVDCJRJ-NWDGAFQWSA-N 1 0 314.336 0.693 50 0 DCAARO Cn1c(CNC(=O)c2ccco2)nnc1SCC[NH+](C)C ZINC000012279945 395687208 /nfs/dbraw/zinc/68/72/08/395687208.db2.gz LRGVYVQNBIAUBM-UHFFFAOYSA-N 1 0 309.395 0.992 50 0 DCAARO Cc1c(C)n(C[C@H](O)C[NH+](CCO)CCO)c2ccccc12 ZINC000000465788 395680375 /nfs/dbraw/zinc/68/03/75/395680375.db2.gz VIMSLVLTVNXVKT-OAHLLOKOSA-N 1 0 306.406 0.906 50 0 DCAARO Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc([C@H]2CCC[NH2+]2)o1 ZINC000001269802 395680685 /nfs/dbraw/zinc/68/06/85/395680685.db2.gz WOJQMSUKFOCGGE-MRVPVSSYSA-N 1 0 309.351 0.471 50 0 DCAARO CCOc1ccccc1C[NH2+]CCNC(=O)c1nonc1N ZINC000002178161 395681391 /nfs/dbraw/zinc/68/13/91/395681391.db2.gz YRBUWNDQPSLLJJ-UHFFFAOYSA-N 1 0 305.338 0.570 50 0 DCAARO O=C(CC[N@H+]1CCC[C@H](O)C1)NC(=O)NCc1ccccc1 ZINC000029926182 395701171 /nfs/dbraw/zinc/70/11/71/395701171.db2.gz PFZLCECLXXPONT-AWEZNQCLSA-N 1 0 305.378 0.859 50 0 DCAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000089534333 395712555 /nfs/dbraw/zinc/71/25/55/395712555.db2.gz LMAVWQJLOLKSMA-ONGXEEELSA-N 1 0 318.377 0.857 50 0 DCAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000089534326 395712615 /nfs/dbraw/zinc/71/26/15/395712615.db2.gz LMAVWQJLOLKSMA-GXSJLCMTSA-N 1 0 318.377 0.857 50 0 DCAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CNC(=O)N1 ZINC000089787633 395715322 /nfs/dbraw/zinc/71/53/22/395715322.db2.gz GDURXOQQHBPWGF-AWEZNQCLSA-N 1 0 320.368 0.588 50 0 DCAARO Cc1ccc(C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000067605451 292055803 /nfs/dbraw/zinc/05/58/03/292055803.db2.gz DRFWKPNVWMPQKG-UHFFFAOYSA-N 1 0 318.421 0.535 50 0 DCAARO CCN1C(=O)N[C@@](C)([C@H]2CCC[N@H+](CCn3cncn3)C2)C1=O ZINC000095402605 395740396 /nfs/dbraw/zinc/74/03/96/395740396.db2.gz HTRKHEFNVIMKFV-WFASDCNBSA-N 1 0 320.397 0.321 50 0 DCAARO Cc1cc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2)on1 ZINC000096482505 395753727 /nfs/dbraw/zinc/75/37/27/395753727.db2.gz COEDLTOUKDDPNF-OLZOCXBDSA-N 1 0 320.393 0.703 50 0 DCAARO CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000097234908 395756635 /nfs/dbraw/zinc/75/66/35/395756635.db2.gz KRQYMDSOGATJHW-JTQLQIEISA-N 1 0 300.428 0.575 50 0 DCAARO Cc1nc2ccccn2c1C[N@@H+]1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000097323909 395756959 /nfs/dbraw/zinc/75/69/59/395756959.db2.gz GPWPMDNQGXZGHM-HOTGVXAUSA-N 1 0 316.405 0.520 50 0 DCAARO COCC(=O)N1CC[N@@H+](C2Cc3ccccc3C2)C[C@@H](O)C1 ZINC000097413243 395757469 /nfs/dbraw/zinc/75/74/69/395757469.db2.gz QKWIBTLAJRBECN-MRXNPFEDSA-N 1 0 304.390 0.305 50 0 DCAARO CNC(=O)Cn1cc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cn1 ZINC000193899323 395782146 /nfs/dbraw/zinc/78/21/46/395782146.db2.gz HSGDFMMSSQUDDF-CQSZACIVSA-N 1 0 313.361 0.282 50 0 DCAARO O=C(N1CC[N@@H+](CCCO)C[C@@H](O)C1)C1(c2ccccc2)CC1 ZINC000097527854 395758523 /nfs/dbraw/zinc/75/85/23/395758523.db2.gz XTBPQHYPUKHBQZ-MRXNPFEDSA-N 1 0 318.417 0.606 50 0 DCAARO CNC(=C[N+](=O)[O-])NCCSC[C@@H]1CC[C@@H](C[NH+](C)C)O1 ZINC000100231034 395762853 /nfs/dbraw/zinc/76/28/53/395762853.db2.gz HCDJRCQNCQCVSO-VSIAZPJASA-N 1 0 318.443 0.713 50 0 DCAARO C[NH+](C)[C@H]1CCN(CC(=O)N2CCC(c3nnc[nH]3)CC2)C1 ZINC000221193621 395850711 /nfs/dbraw/zinc/85/07/11/395850711.db2.gz YGPJIWCKQGMRML-ZDUSSCGKSA-N 1 0 306.414 0.147 50 0 DCAARO CS(=O)(=O)c1ccc(Cn2cnc3c(c2=O)C[NH2+]CC3)cc1 ZINC000221529143 395851282 /nfs/dbraw/zinc/85/12/82/395851282.db2.gz XTTDYWWQMZBGQZ-UHFFFAOYSA-N 1 0 319.386 0.341 50 0 DCAARO COc1ccc(CC(=O)NC[C@@H]2COCC[N@H+](C)C2)cc1OC ZINC000223340197 395854817 /nfs/dbraw/zinc/85/48/17/395854817.db2.gz GBEPAQVLKBRHAO-AWEZNQCLSA-N 1 0 322.405 0.941 50 0 DCAARO O=C(C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1)c1cccnc1 ZINC000223494249 395856061 /nfs/dbraw/zinc/85/60/61/395856061.db2.gz PFRAPWCDQATYMH-UHFFFAOYSA-N 1 0 317.389 0.714 50 0 DCAARO CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000055325417 395917749 /nfs/dbraw/zinc/91/77/49/395917749.db2.gz HILNZLSJTRHTIV-KGLIPLIRSA-N 1 0 318.352 0.897 50 0 DCAARO COCCN(Cc1cccnc1)C(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000244817066 395925334 /nfs/dbraw/zinc/92/53/34/395925334.db2.gz STVBNLBIOHUUFC-INIZCTEOSA-N 1 0 320.437 0.693 50 0 DCAARO O=C(CCSc1ccc2c(c1)OCCO2)N[C@@H]1C[NH2+]C[C@H]1O ZINC000244853048 395926224 /nfs/dbraw/zinc/92/62/24/395926224.db2.gz VEHMDLUGRQXZPP-VXGBXAGGSA-N 1 0 324.402 0.389 50 0 DCAARO C[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCN1c1nccs1 ZINC000229803308 395876378 /nfs/dbraw/zinc/87/63/78/395876378.db2.gz RYNPKSKGADQNJQ-QWHCGFSZSA-N 1 0 307.423 0.911 50 0 DCAARO COc1cccc(CNC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)c1 ZINC000248862213 395998566 /nfs/dbraw/zinc/99/85/66/395998566.db2.gz AFVUBKBRORSHBT-CHWSQXEVSA-N 1 0 310.394 0.375 50 0 DCAARO NC(=O)NC(=O)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000137081781 395949898 /nfs/dbraw/zinc/94/98/98/395949898.db2.gz JIHFZIDPEQVCMW-NSHDSACASA-N 1 0 310.398 0.342 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000247923396 395980112 /nfs/dbraw/zinc/98/01/12/395980112.db2.gz HURKSGFQDCUOKR-FVQBIDKESA-N 1 0 323.437 0.709 50 0 DCAARO Cc1cc(N2CCN3CCNC(=O)[C@@H]3C2)nc(N2CCCC2)[nH+]1 ZINC000065373763 395993249 /nfs/dbraw/zinc/99/32/49/395993249.db2.gz HLDGDWZYOJWUJD-ZDUSSCGKSA-N 1 0 316.409 0.006 50 0 DCAARO CC[NH+](CC)CCN(C)c1cc(N2CCOCC2)nc(N)n1 ZINC000065492007 395994038 /nfs/dbraw/zinc/99/40/38/395994038.db2.gz OQZXBOCSMIWUAW-UHFFFAOYSA-N 1 0 308.430 0.673 50 0 DCAARO Cn1ncc2c1ncnc2N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000065441013 395994529 /nfs/dbraw/zinc/99/45/29/395994529.db2.gz DEGHKQAIHRCMJG-GFCCVEGCSA-N 1 0 304.398 0.910 50 0 DCAARO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000253377911 396026216 /nfs/dbraw/zinc/02/62/16/396026216.db2.gz YNYBKVLBNFJRLR-RDBSUJKOSA-N 1 0 307.398 0.426 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1cccnc1 ZINC000067490798 396027225 /nfs/dbraw/zinc/02/72/25/396027225.db2.gz HHWOJFLRRQKMCJ-KBPBESRZSA-N 1 0 304.394 0.421 50 0 DCAARO Cc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1S(N)(=O)=O ZINC000153965914 396028323 /nfs/dbraw/zinc/02/83/23/396028323.db2.gz FZVIJSIJFOLVLY-QWRGUYRKSA-N 1 0 311.407 0.465 50 0 DCAARO Cc1cc(=O)n(CC[N@@H+](C)[C@@H](C)Cc2cnccn2)c(=O)[nH]1 ZINC000253536134 396029502 /nfs/dbraw/zinc/02/95/02/396029502.db2.gz JDZXFWJNWNBPAJ-LBPRGKRZSA-N 1 0 303.366 0.610 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ncccc1F ZINC000067713312 396031718 /nfs/dbraw/zinc/03/17/18/396031718.db2.gz KSNVUKFDKSLUBW-PWSUYJOCSA-N 1 0 308.357 0.631 50 0 DCAARO C[C@@H](NC(=O)c1ccncc1F)c1nnc2n1CC[NH2+]CC2 ZINC000067756381 396033128 /nfs/dbraw/zinc/03/31/28/396033128.db2.gz UYMSGWXGCWUTBU-SECBINFHSA-N 1 0 304.329 0.449 50 0 DCAARO COc1ncccc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067773554 396033472 /nfs/dbraw/zinc/03/34/72/396033472.db2.gz MAJSLXTVFDMZDG-JQWIXIFHSA-N 1 0 306.366 0.157 50 0 DCAARO Cc1nc(CC[NH3+])cc(NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000067847348 396035980 /nfs/dbraw/zinc/03/59/80/396035980.db2.gz MPNYVTLNCQCCRS-UHFFFAOYSA-N 1 0 321.406 0.546 50 0 DCAARO O=C(c1ccc(-n2cnnn2)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067983419 396041455 /nfs/dbraw/zinc/04/14/55/396041455.db2.gz YXBCAOAAVPRZRE-INIZCTEOSA-N 1 0 312.377 0.878 50 0 DCAARO OCCN1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000068049558 396043424 /nfs/dbraw/zinc/04/34/24/396043424.db2.gz IYVZFHXJIZYWIL-ZDUSSCGKSA-N 1 0 300.424 0.236 50 0 DCAARO C[C@@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC[NH2+]1 ZINC000155180452 396047737 /nfs/dbraw/zinc/04/77/37/396047737.db2.gz VVWOVNGGXGUVCF-LLVKDONJSA-N 1 0 302.378 0.999 50 0 DCAARO CCOc1ccnc(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000069702757 396087423 /nfs/dbraw/zinc/08/74/23/396087423.db2.gz PXZGXQBYTGPQAB-CYBMUJFWSA-N 1 0 319.409 0.476 50 0 DCAARO COc1cccc(CN(C)C(=O)C[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000069738534 396088796 /nfs/dbraw/zinc/08/87/96/396088796.db2.gz HRELNVMJMFLMPB-INIZCTEOSA-N 1 0 321.421 0.574 50 0 DCAARO CC(C)(C)OC(=O)COCCOCCOCCOCC[NH3+] ZINC000166962482 396089627 /nfs/dbraw/zinc/08/96/27/396089627.db2.gz WPWIGTOQNITKON-UHFFFAOYSA-N 1 0 307.387 0.353 50 0 DCAARO O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069849423 396091769 /nfs/dbraw/zinc/09/17/69/396091769.db2.gz NAHBSSURSLWONH-ZIAGYGMSSA-N 1 0 306.366 0.913 50 0 DCAARO CC(=O)NC[C@H]1CC[N@H+](C2CCN(C(C)=O)CC2)C[C@H]1N(C)C ZINC000169788836 396092634 /nfs/dbraw/zinc/09/26/34/396092634.db2.gz FYBCARRNVGBRGZ-NVXWUHKLSA-N 1 0 324.469 0.386 50 0 DCAARO COCCC(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1C[NH+](C)C ZINC000169790774 396093278 /nfs/dbraw/zinc/09/32/78/396093278.db2.gz ZIUSGTMOSQGPAY-HZPDHXFCSA-N 1 0 320.437 0.596 50 0 DCAARO Cc1cnn(CC(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)c1 ZINC000069952037 396096625 /nfs/dbraw/zinc/09/66/25/396096625.db2.gz XHGWMBFJVKKUMF-AWEZNQCLSA-N 1 0 308.426 0.743 50 0 DCAARO COc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1OC ZINC000071397383 396113245 /nfs/dbraw/zinc/11/32/45/396113245.db2.gz WPVJDDMLRQYTPE-JTQLQIEISA-N 1 0 300.380 0.734 50 0 DCAARO COCC(=O)N1CCCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000071767806 396114745 /nfs/dbraw/zinc/11/47/45/396114745.db2.gz OQTFYLPLTYCGFH-KGLIPLIRSA-N 1 0 309.410 0.178 50 0 DCAARO Cn1cc([C@H]2CCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000071797215 396115518 /nfs/dbraw/zinc/11/55/18/396115518.db2.gz SUPORJYWXMSUNO-GFCCVEGCSA-N 1 0 305.382 0.887 50 0 DCAARO C[C@@H]1C[N@@H+](C2CCN(c3ccc4nnnn4n3)CC2)CCO1 ZINC000071821709 396116957 /nfs/dbraw/zinc/11/69/57/396116957.db2.gz SSOLORVUSYJONZ-LLVKDONJSA-N 1 0 303.370 0.209 50 0 DCAARO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000071885895 396123615 /nfs/dbraw/zinc/12/36/15/396123615.db2.gz MOPJZARDORURJV-LLVKDONJSA-N 1 0 321.443 0.223 50 0 DCAARO COc1c([C@@H]2CCC[N@@H+]2CCCS(N)(=O)=O)c(C)nn1C ZINC000072253813 396128345 /nfs/dbraw/zinc/12/83/45/396128345.db2.gz ANVZHRGSAUPWQB-NSHDSACASA-N 1 0 316.427 0.553 50 0 DCAARO O=C(CCCn1cccn1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269012 396128394 /nfs/dbraw/zinc/12/83/94/396128394.db2.gz OFILMCOPBRWIQA-CABCVRRESA-N 1 0 306.410 0.721 50 0 DCAARO CN(C)c1cccc(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)c1 ZINC000072274457 396128885 /nfs/dbraw/zinc/12/88/85/396128885.db2.gz FTQRCJUPNOCLNM-UHFFFAOYSA-N 1 0 302.378 0.440 50 0 DCAARO CC(=O)N1CCC[C@@H](S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000072287946 396129912 /nfs/dbraw/zinc/12/99/12/396129912.db2.gz FUUURUZFUUCUOH-ZIAGYGMSSA-N 1 0 315.439 0.107 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2nccn2C)[C@H](C)C1 ZINC000072300626 396131001 /nfs/dbraw/zinc/13/10/01/396131001.db2.gz PNJKVODPIZYTSN-OLZOCXBDSA-N 1 0 314.455 0.958 50 0 DCAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000069489698 396080377 /nfs/dbraw/zinc/08/03/77/396080377.db2.gz GWQRXPVLKMABBF-RYUDHWBXSA-N 1 0 305.382 0.328 50 0 DCAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CC(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000069536379 396082537 /nfs/dbraw/zinc/08/25/37/396082537.db2.gz QZDZTZPJYMTXFM-BFHYXJOUSA-N 1 0 321.425 0.516 50 0 DCAARO Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000262666264 396169647 /nfs/dbraw/zinc/16/96/47/396169647.db2.gz PNRFQIKWGSSJAM-QWHCGFSZSA-N 1 0 311.407 0.145 50 0 DCAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)NCCc1ccsc1 ZINC000075603488 396182779 /nfs/dbraw/zinc/18/27/79/396182779.db2.gz FPSGDOQNNLLZQK-GFCCVEGCSA-N 1 0 305.407 0.603 50 0 DCAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)N(C)C2CCOCC2)C1 ZINC000078899189 396257064 /nfs/dbraw/zinc/25/70/64/396257064.db2.gz ZNPKSGCMQXNTCD-OCCSQVGLSA-N 1 0 319.471 0.660 50 0 DCAARO CN1CC2(CCN(C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[NH3+])CC2)OC1=O ZINC000077439777 396222274 /nfs/dbraw/zinc/22/22/74/396222274.db2.gz DSGIKHHCTIJJMX-XQHKEYJVSA-N 1 0 307.394 0.803 50 0 DCAARO O=C(CN1CC[C@@]2(C1)OCc1ccccc12)N1CCOCC1 ZINC000186692004 396355557 /nfs/dbraw/zinc/35/55/57/396355557.db2.gz SZQPQRKAAIVLNE-KRWDZBQOSA-N 1 0 302.374 0.977 50 0 DCAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CCCN1CCOCC1 ZINC000584889909 396633450 /nfs/dbraw/zinc/63/34/50/396633450.db2.gz UWNBYYBTXQFLKH-GJZGRUSLSA-N 1 0 313.442 0.323 50 0 DCAARO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000585136540 396641307 /nfs/dbraw/zinc/64/13/07/396641307.db2.gz KCHRCXOXPDSIPJ-GJZGRUSLSA-N 1 0 324.425 0.400 50 0 DCAARO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N(Cc1ccccc1)C1CC1 ZINC000383665031 397278381 /nfs/dbraw/zinc/27/83/81/397278381.db2.gz RPNUTRGXYDFNRE-HNNXBMFYSA-N 1 0 310.419 0.969 50 0 DCAARO CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cnns1 ZINC000330366018 159163080 /nfs/dbraw/zinc/16/30/80/159163080.db2.gz VUZCFZXDHCUYCQ-SNVBAGLBSA-N 1 0 304.441 0.832 50 0 DCAARO C[N@H+](CCO)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000408098614 160035596 /nfs/dbraw/zinc/03/55/96/160035596.db2.gz ROURCGXVLHZVSL-UHFFFAOYSA-N 1 0 319.471 0.496 50 0 DCAARO CC[C@H]1Oc2ccccc2N(CC(=O)NCC[NH+](C)C)C1=O ZINC000004686964 415128111 /nfs/dbraw/zinc/12/81/11/415128111.db2.gz RWDOMDCLDLVRRE-CYBMUJFWSA-N 1 0 305.378 0.868 50 0 DCAARO C[N@@H+]1CCC[C@@](O)(CN2CCN(C(=O)c3ccco3)CC2)C1 ZINC000046087398 415253617 /nfs/dbraw/zinc/25/36/17/415253617.db2.gz YQAKFOXNQHSHEP-INIZCTEOSA-N 1 0 307.394 0.494 50 0 DCAARO CCC[N@H+](CCO)CC1=C(C(=O)OCC)[C@H](CC)NC(=O)N1 ZINC000044889296 415228222 /nfs/dbraw/zinc/22/82/22/415228222.db2.gz FKXCOEVJORUXFI-NSHDSACASA-N 1 0 313.398 0.599 50 0 DCAARO COCCn1nc(C(=O)NC2CC[NH+](C(C)C)CC2)ccc1=O ZINC000048325895 415292883 /nfs/dbraw/zinc/29/28/83/415292883.db2.gz GCNBJUNKHVGMLN-UHFFFAOYSA-N 1 0 322.409 0.492 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccncc1F ZINC000067542186 415377474 /nfs/dbraw/zinc/37/74/74/415377474.db2.gz QBZDCTNFANSTRT-MFKMUULPSA-N 1 0 308.357 0.631 50 0 DCAARO COCC(=O)N1CCC[N@H+](Cc2c(CO)cnc(C)c2O)CC1 ZINC000067714499 415383982 /nfs/dbraw/zinc/38/39/82/415383982.db2.gz NERVMVOJUIJASN-UHFFFAOYSA-N 1 0 323.393 0.269 50 0 DCAARO C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCC(=O)N1CCC(C)CC1 ZINC000067881508 415388130 /nfs/dbraw/zinc/38/81/30/415388130.db2.gz YBLRPGBTBYHHRO-INIZCTEOSA-N 1 0 310.486 0.861 50 0 DCAARO C[C@H]1CN(C(=O)C[NH2+]C[C@H]2CCCN2c2cccnn2)CCO1 ZINC000075128865 415438245 /nfs/dbraw/zinc/43/82/45/415438245.db2.gz HIQSZBLUQHIAEJ-UONOGXRCSA-N 1 0 319.409 0.282 50 0 DCAARO O[C@@H](C[NH2+][C@H]1CCc2ncnn2C1)COCc1ccccc1F ZINC000075132582 415439484 /nfs/dbraw/zinc/43/94/84/415439484.db2.gz MTAFACLDSPSDIA-KBPBESRZSA-N 1 0 320.368 0.899 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2ccoc2C)C[C@@H]1CO ZINC000095361497 415554345 /nfs/dbraw/zinc/55/43/45/415554345.db2.gz WXCSJQBLWUYGMR-ZIAGYGMSSA-N 1 0 310.394 0.847 50 0 DCAARO Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000095374461 415557230 /nfs/dbraw/zinc/55/72/30/415557230.db2.gz SEEUJTBASUPPOF-CYBMUJFWSA-N 1 0 321.425 0.095 50 0 DCAARO Cc1nc(Cn2ncc(N3CCC(C[NH3+])CC3)cc2=O)co1 ZINC000095374170 415559331 /nfs/dbraw/zinc/55/93/31/415559331.db2.gz OJMBNMMNLLHOCI-UHFFFAOYSA-N 1 0 303.366 0.763 50 0 DCAARO O=C1[C@H]([NH2+]Cc2cccnc2)CCCN1CCN1CCOCC1 ZINC000096004735 415569067 /nfs/dbraw/zinc/56/90/67/415569067.db2.gz POUHZRRDMCHZEP-MRXNPFEDSA-N 1 0 318.421 0.494 50 0 DCAARO CN1C(=O)C[C@H]([NH+]2CCC(C(N)=O)(C3CCCCC3)CC2)C1=O ZINC000102959308 415601911 /nfs/dbraw/zinc/60/19/11/415601911.db2.gz BEPUQNXXFLQCDW-ZDUSSCGKSA-N 1 0 321.421 0.892 50 0 DCAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000097159500 415586320 /nfs/dbraw/zinc/58/63/20/415586320.db2.gz ZYDVUQDNALJZSU-GOEBONIOSA-N 1 0 308.426 0.853 50 0 DCAARO CCCCS(=O)(=O)N1CCC2(CC[NH2+]C[C@H]2CO)CC1 ZINC000097797658 415589975 /nfs/dbraw/zinc/58/99/75/415589975.db2.gz DJSPHCHMQBOXLA-ZDUSSCGKSA-N 1 0 304.456 0.800 50 0 DCAARO O=C(Cn1ccccc1=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000097785419 415590436 /nfs/dbraw/zinc/59/04/36/415590436.db2.gz FCIYOGDVJLXSRM-UHFFFAOYSA-N 1 0 321.446 0.888 50 0 DCAARO C[C@H](C(=O)NCc1ccco1)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000106869301 415653516 /nfs/dbraw/zinc/65/35/16/415653516.db2.gz CVIQYEOAPLGENH-MELADBBJSA-N 1 0 309.410 0.671 50 0 DCAARO O=C(NCCc1cnn(-c2ccccc2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000150864536 196596513 /nfs/dbraw/zinc/59/65/13/196596513.db2.gz OQOQGQWZUYNAPB-HUUCEWRRSA-N 1 0 300.362 0.254 50 0 DCAARO Cc1nn(CCO)cc1C[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299762218 416064052 /nfs/dbraw/zinc/06/40/52/416064052.db2.gz MIXHQHFINJAGGV-LSDHHAIUSA-N 1 0 318.381 0.121 50 0 DCAARO CCCCC[N@@H+]1CCn2nc(CNS(C)(=O)=O)cc2C1 ZINC000299758064 416064167 /nfs/dbraw/zinc/06/41/67/416064167.db2.gz AFWODIHQAXUKOJ-UHFFFAOYSA-N 1 0 300.428 0.938 50 0 DCAARO COCC[NH+]1CCC(C(=O)N2CCc3nc[nH]c(=O)c3C2)CC1 ZINC000299774453 416065250 /nfs/dbraw/zinc/06/52/50/416065250.db2.gz ICQVIRSCISFMDE-UHFFFAOYSA-N 1 0 320.393 0.425 50 0 DCAARO O=C(c1ncc[nH]c1=O)N1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000299777274 416068211 /nfs/dbraw/zinc/06/82/11/416068211.db2.gz NWALSQRTRCRQPJ-LBPRGKRZSA-N 1 0 320.393 0.491 50 0 DCAARO COCCN1C[C@H](C[NH+]2CCC(c3nnc[nH]3)CC2)CC1=O ZINC000299792546 416068772 /nfs/dbraw/zinc/06/87/72/416068772.db2.gz FHNDSICJJKGWAF-LBPRGKRZSA-N 1 0 307.398 0.479 50 0 DCAARO O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)c1cccn2cnnc12 ZINC000299801979 416070652 /nfs/dbraw/zinc/07/06/52/416070652.db2.gz ZNHYSQKUUFNWJJ-LBPRGKRZSA-N 1 0 303.366 0.163 50 0 DCAARO COC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)cc1 ZINC000299795988 416071545 /nfs/dbraw/zinc/07/15/45/416071545.db2.gz NCMCMNHFTSIVNJ-OLZOCXBDSA-N 1 0 307.350 0.660 50 0 DCAARO CCn1ccnc1C[N@@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299801992 416071719 /nfs/dbraw/zinc/07/17/19/416071719.db2.gz ZNRBGLUGXQCMJR-IVSAIRAKSA-N 1 0 321.421 0.891 50 0 DCAARO O=C(CCC[NH+]1CCCC1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299799702 416071859 /nfs/dbraw/zinc/07/18/59/416071859.db2.gz YLDLWCRQCWZZAP-LSDHHAIUSA-N 1 0 319.409 0.826 50 0 DCAARO Cc1nc(CCN(C)C(=O)CC[N@H+](C)[C@@H]2CCN(C)C2)no1 ZINC000299801001 416071863 /nfs/dbraw/zinc/07/18/63/416071863.db2.gz UQQXRNPWEGIURM-CYBMUJFWSA-N 1 0 309.414 0.405 50 0 DCAARO C[C@H]([C@H](C)[NH2+]CC(=O)N[C@H]1CCCCNC1=O)n1cccn1 ZINC000229566877 416328031 /nfs/dbraw/zinc/32/80/31/416328031.db2.gz PRIMPMOUSGXAIZ-XQQFMLRXSA-N 1 0 307.398 0.207 50 0 DCAARO O=C(NCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238099565 416329739 /nfs/dbraw/zinc/32/97/39/416329739.db2.gz BMRGKIQCVQXQAS-ONGXEEELSA-N 1 0 312.753 0.450 50 0 DCAARO CCOC(=O)N1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CC1 ZINC000243957168 416330343 /nfs/dbraw/zinc/33/03/43/416330343.db2.gz CHAQLPGPBBHMSF-TXEJJXNPSA-N 1 0 305.382 0.960 50 0 DCAARO CCCc1noc(CN(C)Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)n1 ZINC000244748596 416330888 /nfs/dbraw/zinc/33/08/88/416330888.db2.gz OKOUONGOKBGIQC-PHIMTYICSA-N 1 0 319.413 0.987 50 0 DCAARO C[NH+](C)CC1(O)CCN(c2cc([C@H]3CCOC3)ncn2)CC1 ZINC000299773252 229420677 /nfs/dbraw/zinc/42/06/77/229420677.db2.gz BTWGDYODGBXWIM-ZDUSSCGKSA-N 1 0 306.410 0.873 50 0 DCAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000044868913 276098934 /nfs/dbraw/zinc/09/89/34/276098934.db2.gz ZGGCOJBVHXXZIR-LBPRGKRZSA-N 1 0 305.444 0.259 50 0 DCAARO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(CC3CC3)C2=O)CC1 ZINC000067956437 277025904 /nfs/dbraw/zinc/02/59/04/277025904.db2.gz UOUUKGQKPVMZGX-QGZVFWFLSA-N 1 0 323.437 0.350 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000178604594 277299989 /nfs/dbraw/zinc/29/99/89/277299989.db2.gz NXNNXIYWDSZZDY-LBPRGKRZSA-N 1 0 311.407 0.466 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000251782850 288236658 /nfs/dbraw/zinc/23/66/58/288236658.db2.gz WGONFVDGUQRUIU-FVCCEPFGSA-N 1 0 305.444 0.448 50 0 DCAARO Cc1ccc2ncn(CC[N@@H+]3CCC[C@H](C(N)=O)C3)c(=O)c2c1 ZINC000043058603 281171440 /nfs/dbraw/zinc/17/14/40/281171440.db2.gz XZGLPAKXCGDMJX-ZDUSSCGKSA-N 1 0 314.389 0.902 50 0 DCAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000069489700 281699319 /nfs/dbraw/zinc/69/93/19/281699319.db2.gz GWQRXPVLKMABBF-NWDGAFQWSA-N 1 0 305.382 0.328 50 0 DCAARO C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O)C(F)(F)F ZINC000408522975 300740747 /nfs/dbraw/zinc/74/07/47/300740747.db2.gz FTOBOWVVDMPHLY-UTLUCORTSA-N 1 0 318.361 0.607 50 0 DCAARO NS(=O)(=O)c1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000058306284 331797039 /nfs/dbraw/zinc/79/70/39/331797039.db2.gz LQAXWWQTRDMUGX-SECBINFHSA-N 1 0 302.425 0.465 50 0 DCAARO O=C(CN1C[C@@H]2[NH2+]CCO[C@H]2C1)N1CCOc2ccccc21 ZINC000534575951 334287439 /nfs/dbraw/zinc/28/74/39/334287439.db2.gz HZCGEJQLURUTIV-WFASDCNBSA-N 1 0 303.362 0.085 50 0 DCAARO CC(C)n1nccc1S(=O)(=O)N1CCO[C@H](CC[NH3+])C1 ZINC000534588354 334293285 /nfs/dbraw/zinc/29/32/85/334293285.db2.gz CBVHUDPTROSORP-LLVKDONJSA-N 1 0 302.400 0.202 50 0 DCAARO C1OC[C@H](N2CCOCC2)[C@H]1[NH2+]C1CSCCSC1 ZINC000534647213 334315958 /nfs/dbraw/zinc/31/59/58/334315958.db2.gz ZUNINHHRXNTZCK-STQMWFEESA-N 1 0 304.481 0.524 50 0 DCAARO O=S(=O)(Cc1ccc(F)cc1)NC[C@]1(O)CCC[NH2+]C1 ZINC000534671583 334320527 /nfs/dbraw/zinc/32/05/27/334320527.db2.gz IRSNLXSVGPFPKE-ZDUSSCGKSA-N 1 0 302.371 0.360 50 0 DCAARO C[NH+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000129300956 337383157 /nfs/dbraw/zinc/38/31/57/337383157.db2.gz YCXKXRNNHGQUPP-CQSZACIVSA-N 1 0 312.458 0.690 50 0 DCAARO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 ZINC000237251219 522086105 /nfs/dbraw/zinc/08/61/05/522086105.db2.gz IPMOGJVEAAWWLS-VIIAAUOXSA-N 1 0 317.389 0.774 50 0 DCAARO Cn1cncc1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000237933531 527509447 /nfs/dbraw/zinc/50/94/47/527509447.db2.gz XBOGZNMQRFLBPM-LBPRGKRZSA-N 1 0 305.334 0.678 50 0 DCAARO Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)cc(=O)[nH]1 ZINC000222655740 545941959 /nfs/dbraw/zinc/94/19/59/545941959.db2.gz DNCZCDCHWZZLEY-ZIAGYGMSSA-N 1 0 323.393 0.149 50 0 DCAARO Cn1nc2c(c1C(=O)NCC[N@@H+]1CCCC[C@H]1CO)CCCC2 ZINC000670438033 547091099 /nfs/dbraw/zinc/09/10/99/547091099.db2.gz IVZWDXLFLYFFAW-ZDUSSCGKSA-N 1 0 320.437 0.876 50 0 DCAARO C[NH+]1CCC(O)(CNC(=O)COC[C@H]2CCCCO2)CC1 ZINC000670450236 547096087 /nfs/dbraw/zinc/09/60/87/547096087.db2.gz CMKUDZUVOHRGPM-CYBMUJFWSA-N 1 0 300.399 0.145 50 0 DCAARO CN(C)c1ccc(NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000888096920 661175743 /nfs/dbraw/zinc/17/57/43/661175743.db2.gz VUQQYBHJPGEVAX-OAHLLOKOSA-N 1 0 303.366 0.985 50 0 DCAARO [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccn2)nn1 ZINC000888101343 661181234 /nfs/dbraw/zinc/18/12/34/661181234.db2.gz LHAKWYLQYHTBBO-TZMCWYRMSA-N 1 0 314.393 0.773 50 0 DCAARO Cc1[nH][nH]c(=O)c1CC(=O)NCC1(C[NH+]2CCN(C)CC2)CC1 ZINC000426669026 661689078 /nfs/dbraw/zinc/68/90/78/661689078.db2.gz MGBGRPNMMSRIPD-UHFFFAOYSA-N 1 0 321.425 0.110 50 0 DCAARO NC(=O)[C@@H]1CCC[N@H+](CCCn2cnc3ccccc3c2=O)C1 ZINC000032511703 664659127 /nfs/dbraw/zinc/65/91/27/664659127.db2.gz KSUDFLIPLQMCHI-CYBMUJFWSA-N 1 0 314.389 0.984 50 0 DCAARO CCCn1ncnc1[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952967893 685599058 /nfs/dbraw/zinc/59/90/58/685599058.db2.gz IWXOYZWLTPVCNG-VXGBXAGGSA-N 1 0 322.413 0.063 50 0 DCAARO CC[NH+]1CCN(CC(=O)N(Cc2cnn(C)c2)C2CC2)CC1 ZINC000952976342 685600672 /nfs/dbraw/zinc/60/06/72/685600672.db2.gz MBCIZTYPLNFIIC-UHFFFAOYSA-N 1 0 305.426 0.549 50 0 DCAARO COCC[N@@H+]1CC[C@H](CN(C)Cc2c(CO)cnc(C)c2O)C1 ZINC000952984715 685601938 /nfs/dbraw/zinc/60/19/38/685601938.db2.gz YZNDHOLUFGYZBM-CQSZACIVSA-N 1 0 323.437 0.988 50 0 DCAARO C[N@H+](CCn1c(=O)oc2cccnc21)CCN1CCOCC1 ZINC000093171786 685110190 /nfs/dbraw/zinc/11/01/90/685110190.db2.gz RVUGEWVMLVBYPH-UHFFFAOYSA-N 1 0 306.366 0.254 50 0 DCAARO Cc1ncc(C(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)c(=O)[nH]1 ZINC000096153862 685111193 /nfs/dbraw/zinc/11/11/93/685111193.db2.gz KIUZNRKXIQFWLV-CYBMUJFWSA-N 1 0 320.393 0.818 50 0 DCAARO Cc1nccn1CC(=O)N1CC[C@@]2(CO)CCC[N@@H+](C)[C@@H]2C1 ZINC001704297581 1179965216 /nfs/dbraw/zinc/96/52/16/1179965216.db2.gz AKXDEHGRKMTACM-GDBMZVCRSA-N 1 0 306.410 0.497 50 0 DCAARO CN(C)c1ccc(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)cn1 ZINC001704315228 1179970968 /nfs/dbraw/zinc/97/09/68/1179970968.db2.gz XKYPJKUCBNBVST-JSGCOSHPSA-N 1 0 304.394 0.550 50 0 DCAARO COc1ccc(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)c(OC)n1 ZINC001704335783 1179977796 /nfs/dbraw/zinc/97/77/96/1179977796.db2.gz GLKGGXGEXARFML-RYUDHWBXSA-N 1 0 321.377 0.501 50 0 DCAARO Cc1cc(C[C@@H]2CN(C(=O)C3(C)CC[NH+](C)CC3)C[C@H]2O)[nH]n1 ZINC001704354081 1179983069 /nfs/dbraw/zinc/98/30/69/1179983069.db2.gz ZHHUSIYYHBKXEF-UKRRQHHQSA-N 1 0 320.437 0.812 50 0 DCAARO CCS(=O)(=O)NC[C@H](C)[NH2+]CCCn1nc(C)cc1C ZINC000823412700 758246625 /nfs/dbraw/zinc/24/66/25/758246625.db2.gz GEHREALELDLIAG-LBPRGKRZSA-N 1 0 302.444 0.807 50 0 DCAARO COC(=O)c1c2c(sc1S(=O)(=O)NC(C)C)C[NH2+]CC2 ZINC000824171030 758760897 /nfs/dbraw/zinc/76/08/97/758760897.db2.gz HKEXOUZUODRMJQ-UHFFFAOYSA-N 1 0 318.420 0.867 50 0 DCAARO COCC[N@@H+]1CC[C@H](CN(C)S(=O)(=O)N2CCCC2)C1 ZINC000824412482 758773335 /nfs/dbraw/zinc/77/33/35/758773335.db2.gz XJJBNFJOFRMAQJ-CYBMUJFWSA-N 1 0 305.444 0.227 50 0 DCAARO O=S(=O)(CC1CCCC1)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC000828760486 759102325 /nfs/dbraw/zinc/10/23/25/759102325.db2.gz SFGKSIIKWWQIMF-AWEZNQCLSA-N 1 0 304.456 0.800 50 0 DCAARO C[NH+](C)[C@@H]1CN(C(=O)COc2ccc(F)cc2)CC[C@@H]1CO ZINC000581798264 760251033 /nfs/dbraw/zinc/25/10/33/760251033.db2.gz IGNWEIHBTSSUFS-IUODEOHRSA-N 1 0 310.369 0.976 50 0 DCAARO CN(C)[S@@](C)(=O)=NS(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000952878849 768941819 /nfs/dbraw/zinc/94/18/19/768941819.db2.gz JXKDJPQUOBHVQZ-WLRWDXFRSA-N 1 0 320.440 0.095 50 0 DCAARO C[C@H](OC[C@H]1CCCCO1)C(=O)N1CC[NH2+][C@H](CCO)C1 ZINC000952884292 768951945 /nfs/dbraw/zinc/95/19/45/768951945.db2.gz ZHIFJNWABZJJGJ-BFHYXJOUSA-N 1 0 300.399 0.143 50 0 DCAARO CN(C[C@H]1CCC[N@@H+]1C)c1nccc(N2CCC(O)CC2)n1 ZINC001506397315 1017253553 /nfs/dbraw/zinc/25/35/53/1017253553.db2.gz RVKSPCDDQYUOBT-CYBMUJFWSA-N 1 0 305.426 0.968 50 0 DCAARO CCCC[C@@H]1C(=O)N(C)CCN1C(=O)C1(O)CC[NH+](C)CC1 ZINC001506400745 1017256072 /nfs/dbraw/zinc/25/60/72/1017256072.db2.gz 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ZINC000072278382 191100366 /nfs/dbraw/zinc/10/03/66/191100366.db2.gz RLLGBQQFIKVDSB-CYBMUJFWSA-N 1 0 318.377 0.342 50 0 DCAARO C[NH+]1CCN(c2ccccc2NC(=O)NCC[S@@](C)=O)CC1 ZINC000072287574 191106120 /nfs/dbraw/zinc/10/61/20/191106120.db2.gz BHHJNBCYGGACOX-QFIPXVFZSA-N 1 0 324.450 0.938 50 0 DCAARO COCC[C@H](CO)NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000225585035 186280421 /nfs/dbraw/zinc/28/04/21/186280421.db2.gz YFQDUVWOVLNMGY-OLZOCXBDSA-N 1 0 301.431 0.803 50 0 DCAARO C[C@@H]1CCCN(C(=O)COc2ccc(CC(N)=O)cc2)[C@H]1C[NH3+] ZINC000237501801 186298290 /nfs/dbraw/zinc/29/82/90/186298290.db2.gz FUFCYENRAUWWQX-DOMZBBRYSA-N 1 0 319.405 0.679 50 0 DCAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](CCCO)C1 ZINC000072420127 191156571 /nfs/dbraw/zinc/15/65/71/191156571.db2.gz UOSQPJDWYQNUKV-AWEZNQCLSA-N 1 0 323.441 0.209 50 0 DCAARO Cc1nc(N(C)C)cc(NCCNC(=O)c2ncccn2)[nH+]1 ZINC000072437816 191166525 /nfs/dbraw/zinc/16/65/25/191166525.db2.gz GTTAFSVRHNKYOI-UHFFFAOYSA-N 1 0 301.354 0.483 50 0 DCAARO CCOCc1nc2c(c(NC[C@H]3COCCO3)n1)CC[NH2+]CC2 ZINC000072463691 191174558 /nfs/dbraw/zinc/17/45/58/191174558.db2.gz OYWLVTVANWRBOI-LBPRGKRZSA-N 1 0 322.409 0.529 50 0 DCAARO CSCC[C@@H](NC(N)=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000072657471 191209628 /nfs/dbraw/zinc/20/96/28/191209628.db2.gz WSMSTLKOPQYJQI-GFCCVEGCSA-N 1 0 316.471 0.577 50 0 DCAARO CCN1C(=O)C[C@@H]([NH+]2CCC(C(=O)N3CCCC3)CC2)C1=O ZINC000004704145 181139925 /nfs/dbraw/zinc/13/99/25/181139925.db2.gz SMDNRKXPRLYYEM-CYBMUJFWSA-N 1 0 307.394 0.468 50 0 DCAARO CC(C)[C@H]1C=CCN1C(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077388372 191707342 /nfs/dbraw/zinc/70/73/42/191707342.db2.gz GTUGKLMERVYFOY-OAHLLOKOSA-N 1 0 318.425 0.220 50 0 DCAARO Cc1occc1C(=O)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077471762 191720218 /nfs/dbraw/zinc/72/02/18/191720218.db2.gz YNUHZAOYOCTOKW-MRXNPFEDSA-N 1 0 308.378 0.887 50 0 DCAARO Cc1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(F)cc1F ZINC000089570471 192819753 /nfs/dbraw/zinc/81/97/53/192819753.db2.gz ZVVCKQRANAHTRO-ZDUSSCGKSA-N 1 0 322.377 0.864 50 0 DCAARO NC(=O)C1(NC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)CCCC1 ZINC000426667704 240354062 /nfs/dbraw/zinc/35/40/62/240354062.db2.gz XYYUHLUKVSDNON-LBPRGKRZSA-N 1 0 319.409 0.264 50 0 DCAARO CC[N@H+](CCO)C[C@@H](O)COCc1ccc(OC)c(OC)c1 ZINC000006605258 181360226 /nfs/dbraw/zinc/36/02/26/181360226.db2.gz FYGXAEXGQKRFQJ-CQSZACIVSA-N 1 0 313.394 0.896 50 0 DCAARO Cc1nccnc1C[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2OCCO ZINC000091440696 193056310 /nfs/dbraw/zinc/05/63/10/193056310.db2.gz IUYRMNFXHQBZBK-CABCVRRESA-N 1 0 307.394 0.509 50 0 DCAARO NC(=O)COc1cccc(-c2cn(CC[NH+]3CCCC3)nn2)c1 ZINC000091575362 193074476 /nfs/dbraw/zinc/07/44/76/193074476.db2.gz QJWHPUKIRIODLB-UHFFFAOYSA-N 1 0 315.377 0.905 50 0 DCAARO COCC[C@@]1(CO)CCC[N@H+](Cc2cn(CCO)nc2C)C1 ZINC000091646123 193084845 /nfs/dbraw/zinc/08/48/45/193084845.db2.gz ISIMAVRQOUNGAH-INIZCTEOSA-N 1 0 311.426 0.795 50 0 DCAARO COCC1(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)CCC1 ZINC000091781514 193106774 /nfs/dbraw/zinc/10/67/74/193106774.db2.gz RVOGYJFUMPXHDO-QGZVFWFLSA-N 1 0 323.437 0.616 50 0 DCAARO CC(C)Cc1cc(C(=O)NCCCN2CC[NH+](C)CC2)n(C)n1 ZINC000091974217 193135374 /nfs/dbraw/zinc/13/53/74/193135374.db2.gz UTBDRYGPWABEGX-UHFFFAOYSA-N 1 0 321.469 0.986 50 0 DCAARO CCc1ncc(C(=O)N2C[C@H](CO)C[C@H](C[NH+](C)C)C2)cn1 ZINC000092098068 193157105 /nfs/dbraw/zinc/15/71/05/193157105.db2.gz JAOXKOQJQVNQCB-CHWSQXEVSA-N 1 0 306.410 0.671 50 0 DCAARO Cc1cc(=O)n(CC[NH+]2CCC3(CC2)OCCC[C@@H]3O)c(=O)[nH]1 ZINC000253536205 202896153 /nfs/dbraw/zinc/89/61/53/202896153.db2.gz BKKVIXLSCBIBDD-ZDUSSCGKSA-N 1 0 323.393 0.263 50 0 DCAARO Cc1cccc(=O)n1CCC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000097288797 193704011 /nfs/dbraw/zinc/70/40/11/193704011.db2.gz WKSQEGVTEDOBMN-MRXNPFEDSA-N 1 0 307.394 0.072 50 0 DCAARO CC[N@H+](C)[C@H](C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000229814384 284368670 /nfs/dbraw/zinc/36/86/70/284368670.db2.gz OPJFROGJMOZCGY-KGLIPLIRSA-N 1 0 305.378 0.392 50 0 DCAARO C[NH+]1CCC(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)CC1 ZINC000040808460 183136653 /nfs/dbraw/zinc/13/66/53/183136653.db2.gz COJGVGKHTYBANB-INIZCTEOSA-N 1 0 303.362 0.987 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000043822458 183386754 /nfs/dbraw/zinc/38/67/54/183386754.db2.gz TUNPWVFGNOKLCP-HNNXBMFYSA-N 1 0 323.441 0.918 50 0 DCAARO O=C(c1cnc(N2CCCC2)nc1)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000097551409 296283101 /nfs/dbraw/zinc/28/31/01/296283101.db2.gz IDIUYDIXHLLEMF-GXTWGEPZSA-N 1 0 301.394 0.901 50 0 DCAARO O=C1CCC2(CC[NH+](CCn3ccnc3)CC2)CN1CCCO ZINC000092037145 284784930 /nfs/dbraw/zinc/78/49/30/284784930.db2.gz FDPSNIKCUGZKFK-UHFFFAOYSA-N 1 0 320.437 0.970 50 0 DCAARO C[NH+]1CCN(C[C@@H](O)Cn2cnc3sccc3c2=O)CC1 ZINC000058143885 184080849 /nfs/dbraw/zinc/08/08/49/184080849.db2.gz WARNLOYOWUDMSO-LLVKDONJSA-N 1 0 308.407 0.066 50 0 DCAARO CC[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(CC(N)=O)cc2)C1 ZINC000065591419 184369888 /nfs/dbraw/zinc/36/98/88/184369888.db2.gz YXXTXQJOPLZFOT-CQSZACIVSA-N 1 0 319.405 0.694 50 0 DCAARO CC(C)(CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000236694574 256600122 /nfs/dbraw/zinc/60/01/22/256600122.db2.gz WNKDNXDXOCBPJK-CHWSQXEVSA-N 1 0 320.389 0.574 50 0 DCAARO COC1CCN(C(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)CC1 ZINC000426720024 257243449 /nfs/dbraw/zinc/24/34/49/257243449.db2.gz SZMOQLUMZQUAEX-ZDUSSCGKSA-N 1 0 306.410 0.988 50 0 DCAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCn1ccnc1 ZINC000426740481 257243607 /nfs/dbraw/zinc/24/36/07/257243607.db2.gz KWFUPMZPQBQFCF-ZDUSSCGKSA-N 1 0 302.382 0.363 50 0 DCAARO Cc1[nH]nc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1Cl ZINC000426489530 257249213 /nfs/dbraw/zinc/24/92/13/257249213.db2.gz JUSFSSKLKNAFOF-JTQLQIEISA-N 1 0 300.790 0.948 50 0 DCAARO COc1cc2c(cc1OC)CN(S(=O)(=O)CC[NH3+])CC2 ZINC000011755729 395686764 /nfs/dbraw/zinc/68/67/64/395686764.db2.gz UCPRTWNSCKPPGU-UHFFFAOYSA-N 1 0 300.380 0.350 50 0 DCAARO C[NH+](C)CCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013326493 395688545 /nfs/dbraw/zinc/68/85/45/395688545.db2.gz GXPWPTJKOMRAND-UHFFFAOYSA-N 1 0 316.452 0.572 50 0 DCAARO CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000000488161 395680407 /nfs/dbraw/zinc/68/04/07/395680407.db2.gz LMFKRLGHEKVMNT-UJDVCPFMSA-N 1 0 313.394 0.327 50 0 biogenic,in-vitro DCAARO COCCNC(=O)NC(=O)C[N@H+](C)CCCOc1ccccc1 ZINC000029852967 395700335 /nfs/dbraw/zinc/70/03/35/395700335.db2.gz GLSSZESMXXXCJF-UHFFFAOYSA-N 1 0 323.393 0.860 50 0 DCAARO C[N@H+](CCO)C[C@@H]1COCCN1C(=O)COc1ccccc1 ZINC000085469920 395700936 /nfs/dbraw/zinc/70/09/36/395700936.db2.gz LRWKUFXXAZKWMX-CQSZACIVSA-N 1 0 308.378 0.217 50 0 DCAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2cnccn2)CC1 ZINC000085468088 395700988 /nfs/dbraw/zinc/70/09/88/395700988.db2.gz DPCNFZFMBYJARG-AWEZNQCLSA-N 1 0 317.437 0.965 50 0 DCAARO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(O)cc2)CC1 ZINC000031809021 395708352 /nfs/dbraw/zinc/70/83/52/395708352.db2.gz SYEMDVWQYWOKQY-UHFFFAOYSA-N 1 0 320.393 0.084 50 0 DCAARO Cc1nnc2n1C[C@H](C[NH2+]CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000089740898 395714310 /nfs/dbraw/zinc/71/43/10/395714310.db2.gz QFWLZORHMHQPEW-NSHDSACASA-N 1 0 320.397 0.069 50 0 DCAARO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC000089718321 395714499 /nfs/dbraw/zinc/71/44/99/395714499.db2.gz FCNBQMQJUFOJBZ-ZDUSSCGKSA-N 1 0 319.369 0.093 50 0 DCAARO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@@H]1C(C)C ZINC000033350740 395717004 /nfs/dbraw/zinc/71/70/04/395717004.db2.gz JNCVFDFYSNHOTQ-QWHCGFSZSA-N 1 0 324.425 0.314 50 0 DCAARO CC[NH+]1CCN([C@@H](C)CNc2ncccc2C(=O)NC)CC1 ZINC000096453487 395753841 /nfs/dbraw/zinc/75/38/41/395753841.db2.gz VLTPEZWNXYEVRR-ZDUSSCGKSA-N 1 0 305.426 0.879 50 0 DCAARO Cn1cc(C2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cn1 ZINC000097203220 395755995 /nfs/dbraw/zinc/75/59/95/395755995.db2.gz NFVPHTLVZVSLRV-UHFFFAOYSA-N 1 0 317.393 0.197 50 0 DCAARO c1nc2c(c(N3CCOCC3)n1)C[N@H+](C[C@H]1CCOC1)CC2 ZINC000097202025 395756076 /nfs/dbraw/zinc/75/60/76/395756076.db2.gz WMUZRHZCVBEAEB-CYBMUJFWSA-N 1 0 304.394 0.708 50 0 DCAARO Cn1nc(-c2ccccc2)cc1C(=O)N1CC[NH2+]C[C@@H](O)C1 ZINC000097546580 395758557 /nfs/dbraw/zinc/75/85/57/395758557.db2.gz GYGAMXOUSJQFHO-CYBMUJFWSA-N 1 0 300.362 0.493 50 0 DCAARO C[NH+](C)Cc1cccc(C(=O)N2CC[NH2+]C[C@@H](C(=O)[O-])C2)c1 ZINC000097527314 395758603 /nfs/dbraw/zinc/75/86/03/395758603.db2.gz GPOYWODAURMTFX-CQSZACIVSA-N 1 0 305.378 0.494 50 0 DCAARO Nc1ncccc1CN1CC[N@@H+](C2CCOCC2)C[C@H](O)C1 ZINC000097757944 395760451 /nfs/dbraw/zinc/76/04/51/395760451.db2.gz VDTUEFOKSFPMJR-OAHLLOKOSA-N 1 0 306.410 0.321 50 0 DCAARO CC[NH+](CC)CCN1CCN(C(=O)c2cc[nH]c2)C[C@@H](O)C1 ZINC000097784701 395760962 /nfs/dbraw/zinc/76/09/62/395760962.db2.gz KFKAOASFERVERK-HNNXBMFYSA-N 1 0 308.426 0.475 50 0 DCAARO COCC[NH+]1CCC2(CC1)CC[N@H+](CCC(=O)[O-])C[C@@H]2CO ZINC000097797721 395761113 /nfs/dbraw/zinc/76/11/13/395761113.db2.gz HQYQYCHZQBWIHJ-CQSZACIVSA-N 1 0 314.426 0.504 50 0 DCAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000219464643 395845352 /nfs/dbraw/zinc/84/53/52/395845352.db2.gz QMLJBNDRNAEVLV-RYUDHWBXSA-N 1 0 313.785 0.866 50 0 DCAARO C[N@@H+]1CCC[C@H](C(=O)NCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000219500801 395845509 /nfs/dbraw/zinc/84/55/09/395845509.db2.gz PJYRFGQIXCKJHJ-LBPRGKRZSA-N 1 0 314.389 0.924 50 0 DCAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc[nH]c1)C2 ZINC000219408221 395845594 /nfs/dbraw/zinc/84/55/94/395845594.db2.gz ABHICNDKRRGITL-OAHLLOKOSA-N 1 0 317.393 0.852 50 0 DCAARO Cn1nncc1S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000225457458 395860773 /nfs/dbraw/zinc/86/07/73/395860773.db2.gz MNAYKZJLQFDLCR-UHFFFAOYSA-N 1 0 315.443 0.700 50 0 DCAARO CN1C(=O)C[C@@H]([NH+]2CCC(C(N)=O)(C3CCCCC3)CC2)C1=O ZINC000051364630 395849783 /nfs/dbraw/zinc/84/97/83/395849783.db2.gz BEPUQNXXFLQCDW-CYBMUJFWSA-N 1 0 321.421 0.892 50 0 DCAARO C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000225465312 395860941 /nfs/dbraw/zinc/86/09/41/395860941.db2.gz ZNOGTDSTDOJKAD-NDBYEHHHSA-N 1 0 302.440 0.847 50 0 DCAARO CC(C)[C@H](NC(=O)CCN1CC[NH+](C)CC1)c1ncnn1C ZINC000222819492 395853427 /nfs/dbraw/zinc/85/34/27/395853427.db2.gz OZDPYOVKTAPOJP-AWEZNQCLSA-N 1 0 308.430 0.266 50 0 DCAARO Cc1nc(N)ncc1C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000222901138 395853685 /nfs/dbraw/zinc/85/36/85/395853685.db2.gz KYLNXEBWCHVWBQ-UHFFFAOYSA-N 1 0 319.409 0.430 50 0 DCAARO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCOC[C@H]2O)CC1 ZINC000223219332 395853943 /nfs/dbraw/zinc/85/39/43/395853943.db2.gz BUVFSQVVHZIVQH-HUUCEWRRSA-N 1 0 305.378 0.426 50 0 DCAARO CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000055041971 395910057 /nfs/dbraw/zinc/91/00/57/395910057.db2.gz FLLZJODGOOQONX-LBPRGKRZSA-N 1 0 310.398 0.995 50 0 DCAARO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000237419587 395912498 /nfs/dbraw/zinc/91/24/98/395912498.db2.gz LHKHVNXCEBASOX-JTQLQIEISA-N 1 0 318.420 0.202 50 0 DCAARO Cc1onc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)c1CO ZINC000244852713 395925228 /nfs/dbraw/zinc/92/52/28/395925228.db2.gz UXHAHYWOMYTGHT-YRGRVCCFSA-N 1 0 323.393 0.344 50 0 DCAARO CCOCCN1CC[NH+](C[C@H](O)CO[C@H](C)COC)CC1 ZINC000225570436 395862179 /nfs/dbraw/zinc/86/21/79/395862179.db2.gz HXBZZXARERGFBX-CABCVRRESA-N 1 0 304.431 0.053 50 0 DCAARO Cc1noc([C@H](C)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000229825864 395876151 /nfs/dbraw/zinc/87/61/51/395876151.db2.gz MEPKGGHBKYYOGE-XPTSAGLGSA-N 1 0 307.354 0.844 50 0 DCAARO O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058196428 395951537 /nfs/dbraw/zinc/95/15/37/395951537.db2.gz UZFSGJNQBIHLLX-CHWSQXEVSA-N 1 0 315.439 0.443 50 0 DCAARO O[C@@H](Cn1cccn1)CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000247802838 395978829 /nfs/dbraw/zinc/97/88/29/395978829.db2.gz WWBRNCNPONQIDQ-HZPDHXFCSA-N 1 0 308.426 0.431 50 0 DCAARO Cc1nnc([C@@H]2CCC[N@H+](CCn3c(=O)cc(C)[nH]c3=O)C2)[nH]1 ZINC000253536390 396029359 /nfs/dbraw/zinc/02/93/59/396029359.db2.gz DRNUSLZTLNFAFO-GFCCVEGCSA-N 1 0 318.381 0.563 50 0 DCAARO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](CNC(=O)CNC(N)=O)C2)c1 ZINC000067774835 396033026 /nfs/dbraw/zinc/03/30/26/396033026.db2.gz RZYSPIXYKJDXPI-AWEZNQCLSA-N 1 0 318.421 0.910 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2c(c1)OCCO2 ZINC000067805403 396033920 /nfs/dbraw/zinc/03/39/20/396033920.db2.gz JFZYGAZXLOWYCC-KGLIPLIRSA-N 1 0 319.405 0.884 50 0 DCAARO O=C(N[C@@H]1CN(Cc2ccncc2F)C[C@H]1CO)C1CCC1 ZINC000257197245 396036191 /nfs/dbraw/zinc/03/61/91/396036191.db2.gz ZSNVREPGOAONEP-DZGCQCFKSA-N 1 0 307.369 0.930 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(C(C)C)no1 ZINC000067948093 396039907 /nfs/dbraw/zinc/03/99/07/396039907.db2.gz LHKDQXDHBFFHPM-PWSUYJOCSA-N 1 0 308.382 0.864 50 0 DCAARO CS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000068525193 396058742 /nfs/dbraw/zinc/05/87/42/396058742.db2.gz OHQPNOGOFGALFZ-GFCCVEGCSA-N 1 0 317.455 0.449 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000249703434 396011214 /nfs/dbraw/zinc/01/12/14/396011214.db2.gz ZXJQMAQVELKZHL-BFHYXJOUSA-N 1 0 314.451 0.896 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(=O)n3ccccc3n1)CC2 ZINC000069700096 396087116 /nfs/dbraw/zinc/08/71/16/396087116.db2.gz FGSAZGRAPQJNQU-GFCCVEGCSA-N 1 0 324.388 0.953 50 0 DCAARO CC[C@@H]1CN(CC(=O)NC2CCOCC2)CC[N@@H+]1CCOC ZINC000069738026 396088899 /nfs/dbraw/zinc/08/88/99/396088899.db2.gz IPMAFAWQSUAOSN-OAHLLOKOSA-N 1 0 313.442 0.324 50 0 DCAARO COCC(=O)N[C@@H]1C[N@@H+](C2CCC2)CC[C@@H]1c1nc(C)no1 ZINC000169782858 396091779 /nfs/dbraw/zinc/09/17/79/396091779.db2.gz ZIUUECKHKHAPHX-QWHCGFSZSA-N 1 0 308.382 0.851 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1CCOC ZINC000069842231 396092108 /nfs/dbraw/zinc/09/21/08/396092108.db2.gz KWTREASHLPZKOX-CQSZACIVSA-N 1 0 323.441 0.710 50 0 DCAARO NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(CO)CC2)cc1 ZINC000071800049 396114975 /nfs/dbraw/zinc/11/49/75/396114975.db2.gz FWRIFKPSHCGNGO-UHFFFAOYSA-N 1 0 305.378 0.818 50 0 DCAARO CC1CCN(CN2C(=O)N[C@]3(C[NH+]4CCC3CC4)C2=O)CC1 ZINC000071795893 396115304 /nfs/dbraw/zinc/11/53/04/396115304.db2.gz QCRNLUFXFKOKLX-INIZCTEOSA-N 1 0 306.410 0.896 50 0 DCAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC(=O)N2CCN(C)CC2)o1 ZINC000071837123 396117680 /nfs/dbraw/zinc/11/76/80/396117680.db2.gz VFZQGZYTTLOLND-UHFFFAOYSA-N 1 0 317.393 0.842 50 0 DCAARO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839861 396118569 /nfs/dbraw/zinc/11/85/69/396118569.db2.gz AQPNWICGBZHVEG-LBPRGKRZSA-N 1 0 320.393 0.001 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)CC[N@@H+]1C[C@@H](C)O ZINC000071877548 396121287 /nfs/dbraw/zinc/12/12/87/396121287.db2.gz LLNNGOPJLMHJCG-BXUZGUMPSA-N 1 0 323.441 0.742 50 0 DCAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2CCN2C(=O)CNC2=O)n1 ZINC000071876088 396121611 /nfs/dbraw/zinc/12/16/11/396121611.db2.gz NPIORKHKNGEALB-ZDUSSCGKSA-N 1 0 305.382 0.516 50 0 DCAARO CC[N@H+](C)[C@H](C(=O)N1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000069581287 396083964 /nfs/dbraw/zinc/08/39/64/396083964.db2.gz OPJFROGJMOZCGY-KBPBESRZSA-N 1 0 305.378 0.392 50 0 DCAARO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2Cn2cncn2)CC1 ZINC000069620727 396084599 /nfs/dbraw/zinc/08/45/99/396084599.db2.gz AYYPGJVPMCYGTD-OAHLLOKOSA-N 1 0 320.441 0.343 50 0 DCAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2cccnc2N(C)C)C1 ZINC000069633319 396085408 /nfs/dbraw/zinc/08/54/08/396085408.db2.gz CHFDQCIRVKHEBG-CYBMUJFWSA-N 1 0 306.410 0.846 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@@H]1[NH+](C)C ZINC000076051686 396193771 /nfs/dbraw/zinc/19/37/71/396193771.db2.gz PGGLOANQJWUDPO-UWVGGRQHSA-N 1 0 300.380 0.705 50 0 DCAARO C[C@]1([C@@H]2CCC[N@H+](CCc3ccncc3)C2)NC(=O)NC1=O ZINC000076059291 396196016 /nfs/dbraw/zinc/19/60/16/396196016.db2.gz FFRUIKUBULLSJD-CZUORRHYSA-N 1 0 302.378 0.934 50 0 DCAARO CC(C)CC[NH+]1CCN(Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000077314296 396218138 /nfs/dbraw/zinc/21/81/38/396218138.db2.gz UHYWEQKANAJUFF-UHFFFAOYSA-N 1 0 307.446 0.684 50 0 DCAARO O[C@@]1(CNCc2ccc(-n3cccn3)cc2)C[NH2+]CCOC1 ZINC000077321839 396218646 /nfs/dbraw/zinc/21/86/46/396218646.db2.gz XUBAJBIFURQLPB-MRXNPFEDSA-N 1 0 302.378 0.313 50 0 DCAARO CCn1c(N)nc2cc(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]C4)cnc21 ZINC000077392534 396220565 /nfs/dbraw/zinc/22/05/65/396220565.db2.gz QLDXSVJKPNRYRD-PHIMTYICSA-N 1 0 300.366 0.610 50 0 DCAARO O=C(c1ccc(CNC[C@@]2(O)CC[NH2+]C2)cc1)N1CCCC1 ZINC000077437527 396221999 /nfs/dbraw/zinc/22/19/99/396221999.db2.gz VAWSQFODCNLDNM-QGZVFWFLSA-N 1 0 303.406 0.737 50 0 DCAARO [NH3+]CCn1cc(C(=O)NCc2nc(C3CCCCC3)no2)nn1 ZINC000077470018 396222840 /nfs/dbraw/zinc/22/28/40/396222840.db2.gz BIEKHWHRYMIFCA-UHFFFAOYSA-N 1 0 319.369 0.598 50 0 DCAARO CC(C)Cc1nc(CN(C)C(=O)c2cn(CC[NH3+])nn2)no1 ZINC000077452093 396223291 /nfs/dbraw/zinc/22/32/91/396223291.db2.gz NQSKCWGDXZDTCB-UHFFFAOYSA-N 1 0 307.358 0.091 50 0 DCAARO Cc1cc(C)n(CC[N@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000084104732 396318060 /nfs/dbraw/zinc/31/80/60/396318060.db2.gz UTAWKGRNENGKHI-INIZCTEOSA-N 1 0 319.409 0.905 50 0 DCAARO CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cnns1 ZINC000330366017 159162962 /nfs/dbraw/zinc/16/29/62/159162962.db2.gz VUZCFZXDHCUYCQ-JTQLQIEISA-N 1 0 304.441 0.832 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc(OCC(N)=O)cc1 ZINC000254993026 287122154 /nfs/dbraw/zinc/12/21/54/287122154.db2.gz ZZEWECCMIWLIEN-DJFZKKHWSA-N 1 0 303.362 0.384 50 0 DCAARO [NH3+][C@H]1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 ZINC000132680677 196275905 /nfs/dbraw/zinc/27/59/05/196275905.db2.gz GGKDGPARIVMULH-GXSJLCMTSA-N 1 0 309.316 0.877 50 0 DCAARO CCCn1c([O-])c([C@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=O ZINC000020567685 415155221 /nfs/dbraw/zinc/15/52/21/415155221.db2.gz YPBRTCKFSSBNMX-ZDUSSCGKSA-N 1 0 301.346 0.887 50 0 DCAARO CC(=O)[C@@H]1[C@@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@H]2C=C[C@@H]3C=CC=C[C@@H]3[N@@H+]21 ZINC000025560451 415163409 /nfs/dbraw/zinc/16/34/09/415163409.db2.gz SAATWYPBUIMNRC-SOCOXYBWSA-N 1 0 313.353 0.865 50 0 DCAARO C[NH+]1CCOCCOCCOCCOCCOCCOCC1 ZINC000003895805 415129068 /nfs/dbraw/zinc/12/90/68/415129068.db2.gz NJXPKQHZNXXTJE-UHFFFAOYSA-N 1 0 321.414 0.031 50 0 DCAARO C[C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)n1cncn1 ZINC000044953616 415237826 /nfs/dbraw/zinc/23/78/26/415237826.db2.gz DLQFHUKFCSAQOU-CYBMUJFWSA-N 1 0 307.398 0.410 50 0 DCAARO C[C@H](Cn1cccn1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000044954798 415238004 /nfs/dbraw/zinc/23/80/04/415238004.db2.gz QNBJXQBGXSFXFL-KGLIPLIRSA-N 1 0 309.414 0.418 50 0 DCAARO c1nc2ncnc(NC[C@@H]([C@H]3CCOC3)[NH+]3CCOCC3)c2[nH]1 ZINC000047510567 415271133 /nfs/dbraw/zinc/27/11/33/415271133.db2.gz UCCKPBDLGITFEN-RYUDHWBXSA-N 1 0 318.381 0.502 50 0 DCAARO C(c1nnnn1C1CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048232195 415287095 /nfs/dbraw/zinc/28/70/95/415287095.db2.gz IQLZXOZYXYFMCP-UHFFFAOYSA-N 1 0 306.414 0.552 50 0 DCAARO CC(C)(C)[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000048554096 415294611 /nfs/dbraw/zinc/29/46/11/415294611.db2.gz IFKWXJNUVIFZOQ-UHFFFAOYSA-N 1 0 309.395 0.954 50 0 DCAARO CN1CC2(CCN(c3nc(N)nc4c3CC[NH2+]C4)CC2)OC1=O ZINC000071749357 415409696 /nfs/dbraw/zinc/40/96/96/415409696.db2.gz TUWIMSOBQGBJAT-UHFFFAOYSA-N 1 0 318.381 0.126 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1csc2c1CCCC2 ZINC000067834368 415386921 /nfs/dbraw/zinc/38/69/21/415386921.db2.gz JQIQCIBJRMOXEA-CABZTGNLSA-N 1 0 307.419 0.915 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2nccs2)CC[N@@H+]1C[C@@H](C)O ZINC000084736459 415499469 /nfs/dbraw/zinc/49/94/69/415499469.db2.gz QSUUWYJILMVZSC-NEPJUHHUSA-N 1 0 312.439 0.859 50 0 DCAARO CC[C@@H]1CN(CC(=O)NCc2ccccn2)CC[N@@H+]1C[C@@H](C)O ZINC000075129471 415439403 /nfs/dbraw/zinc/43/94/03/415439403.db2.gz YJUXBNNVRDQYIJ-GDBMZVCRSA-N 1 0 320.437 0.475 50 0 DCAARO NC(=O)c1cc([C@H]2CCC[N@H+](CCOC[C@@H]3CCCO3)C2)n[nH]1 ZINC000095402700 415559168 /nfs/dbraw/zinc/55/91/68/415559168.db2.gz HLGPNFAEHWZUSW-STQMWFEESA-N 1 0 322.409 0.884 50 0 DCAARO Cc1nc(C[C@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)no1 ZINC000095958189 415568268 /nfs/dbraw/zinc/56/82/68/415568268.db2.gz BCAYOYMFQAFAIT-GFCCVEGCSA-N 1 0 306.366 0.782 50 0 DCAARO COc1ccccc1N1CCN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1=O ZINC000102856445 415600821 /nfs/dbraw/zinc/60/08/21/415600821.db2.gz YRJCOSYWODBPEP-WDNDVIMCSA-N 1 0 301.390 0.809 50 0 DCAARO O=C(NCCc1cccnc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106838832 415648661 /nfs/dbraw/zinc/64/86/61/415648661.db2.gz LLAUBHNATRJRIJ-GJZGRUSLSA-N 1 0 304.394 0.787 50 0 DCAARO Cc1ccc2nc(CNC(=O)CN(C)C3CC[NH2+]CC3)cn2c1 ZINC000299774488 416065953 /nfs/dbraw/zinc/06/59/53/416065953.db2.gz JJMCNERUELEDSY-UHFFFAOYSA-N 1 0 315.421 0.943 50 0 DCAARO Cc1nn(C)c(C)c1CCC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000299783582 416067461 /nfs/dbraw/zinc/06/74/61/416067461.db2.gz VTLINMYFSCKBGT-HOTGVXAUSA-N 1 0 320.437 0.949 50 0 DCAARO Cc1nc([C@@H](NC(=O)[C@H]2C[NH2+]CCO2)c2ccccc2F)no1 ZINC000187786596 416262823 /nfs/dbraw/zinc/26/28/23/416262823.db2.gz IMGZKCQOFCQRTR-OLZOCXBDSA-N 1 0 320.324 0.711 50 0 DCAARO CC[N@H+](CC(=O)NC[C@H]1CCS(=O)(=O)C1)[C@H](C)C(C)C ZINC000248297954 416333255 /nfs/dbraw/zinc/33/32/55/416333255.db2.gz YOONQVIQFPDLQN-CHWSQXEVSA-N 1 0 304.456 0.904 50 0 DCAARO c1cnc(-c2noc(-c3cncnc3N[C@@H]3CC[NH2+]C3)n2)cn1 ZINC000263618190 416338464 /nfs/dbraw/zinc/33/84/64/416338464.db2.gz RSIHPHZSQKBKON-SECBINFHSA-N 1 0 310.321 0.757 50 0 DCAARO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000195554219 416326783 /nfs/dbraw/zinc/32/67/83/416326783.db2.gz ADFRPVMCGVUQIV-SJORKVTESA-N 1 0 316.449 0.925 50 0 DCAARO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H](C[NH3+])C3CC3)cc12 ZINC000237859060 416329025 /nfs/dbraw/zinc/32/90/25/416329025.db2.gz SHYVBRIABULLNH-GFCCVEGCSA-N 1 0 309.395 0.292 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000237981998 416329613 /nfs/dbraw/zinc/32/96/13/416329613.db2.gz YKNSOUXMOVGCCV-SNVBAGLBSA-N 1 0 302.783 0.673 50 0 DCAARO C[C@H](CCC(=O)NCc1cccnc1N)[NH+]1CCN(C)CC1 ZINC000244724383 416330885 /nfs/dbraw/zinc/33/08/85/416330885.db2.gz MSWAMPLJGFGHET-CYBMUJFWSA-N 1 0 305.426 0.696 50 0 DCAARO Cc1noc([C@H](C)NC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)n1 ZINC000244858453 416331104 /nfs/dbraw/zinc/33/11/04/416331104.db2.gz VLFLJEAYPCLYRB-INTQDDNPSA-N 1 0 319.369 0.903 50 0 DCAARO Cc1c[nH+]c(C2CCC2)n1CCNC(=O)CN1CCOCC1 ZINC000575555790 417540027 /nfs/dbraw/zinc/54/00/27/417540027.db2.gz SCLBNRIDOBGNTJ-UHFFFAOYSA-N 1 0 306.410 0.907 50 0 DCAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(OCc2ccccc2)CC1 ZINC000299752698 229395834 /nfs/dbraw/zinc/39/58/34/229395834.db2.gz VBWONBPGBMYUSO-HOCLYGCPSA-N 1 0 304.390 0.917 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCCCO2)CC1=O ZINC000248893924 276184325 /nfs/dbraw/zinc/18/43/25/276184325.db2.gz GFTQCWCADGIKDP-KBPBESRZSA-N 1 0 309.410 0.873 50 0 DCAARO CC1(C)CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@]1(C)O ZINC000091769195 278325686 /nfs/dbraw/zinc/32/56/86/278325686.db2.gz GEXLYKCJPGZCAW-HNNXBMFYSA-N 1 0 307.398 0.436 50 0 DCAARO Cc1nn(C)c2ncnc(N3CCC(O)(C[NH+](C)C)CC3)c12 ZINC000072424066 279209821 /nfs/dbraw/zinc/20/98/21/279209821.db2.gz XAQDQCHUOJNJGZ-UHFFFAOYSA-N 1 0 304.398 0.565 50 0 DCAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+](CCO)CCO ZINC000005925737 280508080 /nfs/dbraw/zinc/50/80/80/280508080.db2.gz CCEXBZJETAGAOP-CYBMUJFWSA-N 1 0 303.786 0.675 50 0 DCAARO CC[C@H]1CN(CCCS(=O)(=O)N(C)C)CC[N@@H+]1C[C@H](C)O ZINC000106906951 288287743 /nfs/dbraw/zinc/28/77/43/288287743.db2.gz LBKJNKXHPIISDR-KBPBESRZSA-N 1 0 321.487 0.045 50 0 DCAARO Cn1cc([C@@H](O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000253404953 294273939 /nfs/dbraw/zinc/27/39/39/294273939.db2.gz WMMXNLWBPGIQIB-UKRRQHHQSA-N 1 0 322.409 0.024 50 0 DCAARO O=C(Cn1ccccc1=O)N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244774017 295561893 /nfs/dbraw/zinc/56/18/93/295561893.db2.gz PMOXXGLVTDGCHJ-ZQIUZPCESA-N 1 0 319.405 0.104 50 0 DCAARO C[C@H](NC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1)C(N)=O ZINC000072156877 299031781 /nfs/dbraw/zinc/03/17/81/299031781.db2.gz VDTMZFLHKXUKPU-ZDUSSCGKSA-N 1 0 315.417 1.000 50 0 DCAARO O=S(=O)(N1CCc2ccccc2C1)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000534592110 334294725 /nfs/dbraw/zinc/29/47/25/334294725.db2.gz QRZHIOPAZLTPRD-CJNGLKHVSA-N 1 0 321.446 0.973 50 0 DCAARO O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@@H]1C=CC[NH2+]1 ZINC000534643439 334306046 /nfs/dbraw/zinc/30/60/46/334306046.db2.gz MPSCUWGFNOCROU-HNNXBMFYSA-N 1 0 310.357 0.555 50 0 DCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1cc2ncccn2n1 ZINC000534656788 334314463 /nfs/dbraw/zinc/31/44/63/334314463.db2.gz QHDKMQWUMNBKJS-KBPBESRZSA-N 1 0 315.377 0.712 50 0 DCAARO C[C@H](CN(C)CCO)[NH2+]CCn1ncc2ccccc2c1=O ZINC000534661970 334322288 /nfs/dbraw/zinc/32/22/88/334322288.db2.gz WBDUAHICYXMOMS-CYBMUJFWSA-N 1 0 304.394 0.299 50 0 DCAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)CC2 ZINC000071877603 337366888 /nfs/dbraw/zinc/36/68/88/337366888.db2.gz HAZHRLVMZBKMDT-STQMWFEESA-N 1 0 304.398 0.564 50 0 DCAARO CCCn1cc(CN2CC[C@H](S(=O)(=O)NCC)C2)cn1 ZINC000097235462 337382385 /nfs/dbraw/zinc/38/23/85/337382385.db2.gz IZEUDPCSVUVESZ-ZDUSSCGKSA-N 1 0 300.428 0.807 50 0 DCAARO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1=O ZINC000299749366 534040637 /nfs/dbraw/zinc/04/06/37/534040637.db2.gz KCDJNOOAJDGFQD-REBRKWNGSA-N 1 0 301.390 0.682 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH3+])C2)ccc1F ZINC000158043167 522258735 /nfs/dbraw/zinc/25/87/35/522258735.db2.gz GNTGDQARRIKSEN-SNVBAGLBSA-N 1 0 315.370 0.297 50 0 DCAARO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)CC2 ZINC000237393583 522299939 /nfs/dbraw/zinc/29/99/39/522299939.db2.gz WJRXCIIGMGZTAZ-VXGBXAGGSA-N 1 0 323.418 0.611 50 0 DCAARO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC(OCCc2ccccc2)CC1 ZINC000299753457 534643554 /nfs/dbraw/zinc/64/35/54/534643554.db2.gz YHAZLQRRJGTPSD-NVXWUHKLSA-N 1 0 318.417 0.960 50 0 DCAARO NC(=O)COc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000238045634 527234652 /nfs/dbraw/zinc/23/46/52/527234652.db2.gz WTUOCBGWXBZZAU-OQHXTRMZSA-N 1 0 303.362 0.514 50 0 DCAARO C[C@@H]1CN(C(=O)C[NH+]2CCC3(CCC(=O)N3)CC2)C[C@H](C)O1 ZINC000670456148 547097722 /nfs/dbraw/zinc/09/77/22/547097722.db2.gz DOCGTIHNXJKTEZ-BETUJISGSA-N 1 0 309.410 0.367 50 0 DCAARO CCOC(=O)CCS(=O)(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000685944897 548749415 /nfs/dbraw/zinc/74/94/15/548749415.db2.gz GVPIDXFKMVQZML-VXGBXAGGSA-N 1 0 318.439 0.732 50 0 DCAARO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000888093959 661158041 /nfs/dbraw/zinc/15/80/41/661158041.db2.gz OMXVJHHIOHOAQY-RFQIPJPRSA-N 1 0 308.426 0.779 50 0 DCAARO COc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)nn1 ZINC000119326377 661176351 /nfs/dbraw/zinc/17/63/51/661176351.db2.gz HWUORHYIHFATPZ-GFCCVEGCSA-N 1 0 320.393 0.716 50 0 DCAARO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nn1 ZINC000178098448 658824876 /nfs/dbraw/zinc/82/48/76/658824876.db2.gz DPFRICKNBRHEDL-GFCCVEGCSA-N 1 0 306.366 0.280 50 0 DCAARO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(-n3ccnc3)n2)CCO1 ZINC000180810750 659076580 /nfs/dbraw/zinc/07/65/80/659076580.db2.gz BFFPGOAQORJKJB-ZDUSSCGKSA-N 1 0 315.377 0.670 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCn3ccnn3)C2)CC1 ZINC000299779913 659643331 /nfs/dbraw/zinc/64/33/31/659643331.db2.gz OHLPXYHZSFDCRY-CQSZACIVSA-N 1 0 320.441 0.201 50 0 DCAARO CC[NH+]1CCN(CC(=O)N[C@@H](C)c2nncn2C(C)C)CC1 ZINC000299794069 662685730 /nfs/dbraw/zinc/68/57/30/662685730.db2.gz IMTHEBKTQZIVQV-ZDUSSCGKSA-N 1 0 308.430 0.674 50 0 DCAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCc1nnc(-c2ccccc2)[nH]1 ZINC000067895603 665354566 /nfs/dbraw/zinc/35/45/66/665354566.db2.gz BRXQOACENMIRHK-RYUDHWBXSA-N 1 0 300.366 0.119 50 0 DCAARO C[NH+](C)CCN(C[C@@H]1CCCO1)S(=O)(=O)N1CCCCC1 ZINC000952965762 685599376 /nfs/dbraw/zinc/59/93/76/685599376.db2.gz GIZXGKPKSYXDRK-AWEZNQCLSA-N 1 0 319.471 0.760 50 0 DCAARO CC(C)[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cccs3)CN2C1=O ZINC000014742132 685049096 /nfs/dbraw/zinc/04/90/96/685049096.db2.gz VQDHGKMETOTRJL-WCFLWFBJSA-N 1 0 307.419 0.962 50 0 DCAARO CN(CC1(CO)CCCC1)c1nc(N)nc2c1CC[NH2+]CC2 ZINC000072430595 685074823 /nfs/dbraw/zinc/07/48/23/685074823.db2.gz TXIVFUDRAUZLDT-UHFFFAOYSA-N 1 0 305.426 0.736 50 0 DCAARO O=C([C@H]1C[NH2+]CCO1)N1CCC(OCc2cccnc2)CC1 ZINC000091325922 685104615 /nfs/dbraw/zinc/10/46/15/685104615.db2.gz RLBLBQBDHSTGHP-OAHLLOKOSA-N 1 0 305.378 0.578 50 0 DCAARO CN1C(=O)[C@H]2COC[C@@H]1C[N@@H+](Cc1ccccc1OCCO)C2 ZINC001772702256 1157840572 /nfs/dbraw/zinc/84/05/72/1157840572.db2.gz QQUKQZFITORLAF-CABCVRRESA-N 1 0 320.389 0.347 50 0 DCAARO COc1cccc(OC)c1OCCN1C[C@@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772705299 1157844447 /nfs/dbraw/zinc/84/44/47/1157844447.db2.gz RSZWQGSDPMHVMU-SUMWQHHRSA-N 1 0 322.405 0.596 50 0 DCAARO Cc1cccc(NC(=O)CN2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1C ZINC001772707864 1157844611 /nfs/dbraw/zinc/84/46/11/1157844611.db2.gz WGIURFQHZHXGBY-PBHICJAKSA-N 1 0 303.406 0.756 50 0 DCAARO CN(C)C[C@@]12C[NH2+]C[C@@H]1CN(c1ccc(S(C)(=O)=O)cn1)C2 ZINC001772712542 1157849441 /nfs/dbraw/zinc/84/94/41/1157849441.db2.gz RSQFCNBYNBGTMU-IUODEOHRSA-N 1 0 324.450 0.073 50 0 DCAARO Cc1nc(C[N@H+]2C[C@@H](Cc3ccncc3)[C@H](O)C2)cc(=O)[nH]1 ZINC001704342025 1179979283 /nfs/dbraw/zinc/97/92/83/1179979283.db2.gz CASRYXUIRUOVCQ-UKRRQHHQSA-N 1 0 300.362 0.921 50 0 DCAARO CCC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CCC(OC)CC2)C1 ZINC000822922796 758213972 /nfs/dbraw/zinc/21/39/72/758213972.db2.gz YCTHIWRXUHMAMC-ZDUSSCGKSA-N 1 0 319.471 0.806 50 0 DCAARO CCNC(=O)N1CCC([NH2+][C@H](C)CNS(=O)(=O)CC)CC1 ZINC000823126709 758226932 /nfs/dbraw/zinc/22/69/32/758226932.db2.gz LQMFEDZACVAKSN-LLVKDONJSA-N 1 0 320.459 0.098 50 0 DCAARO CN1CCN(C(=O)C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)CC1 ZINC000823788664 758275006 /nfs/dbraw/zinc/27/50/06/758275006.db2.gz OBEYUROFGDXVRA-UHFFFAOYSA-N 1 0 322.453 0.095 50 0 DCAARO Cc1nncn1CCSc1nnc(C2CC[NH2+]CC2)n1C ZINC000825629958 758812319 /nfs/dbraw/zinc/81/23/19/758812319.db2.gz OZITYTJHCGAEOT-UHFFFAOYSA-N 1 0 307.427 0.974 50 0 DCAARO Cc1n[nH]c(CCC(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c1C ZINC000828710774 759072512 /nfs/dbraw/zinc/07/25/12/759072512.db2.gz CMVSCLOHDPPHCW-CQSZACIVSA-N 1 0 308.426 0.922 50 0 DCAARO Cn1ncc2c1nc(NCCC[N@@H+]1CCC[C@H](CO)C1)nc2N ZINC000828711105 759073457 /nfs/dbraw/zinc/07/34/57/759073457.db2.gz DPHHTMLWBLGEAH-NSHDSACASA-N 1 0 319.413 0.452 50 0 DCAARO COc1ncccc1C[N@H+]1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529118877 1014499413 /nfs/dbraw/zinc/49/94/13/1014499413.db2.gz PJNZOGJCVSWPQV-UKRRQHHQSA-N 1 0 300.362 0.916 50 0 DCAARO Cc1cccc(NC(=O)CC(=O)NC[C@]2(O)CC[NH2+]C2)c1C ZINC001506422869 1017265977 /nfs/dbraw/zinc/26/59/77/1017265977.db2.gz ASBFASQDYJPONL-INIZCTEOSA-N 1 0 305.378 0.473 50 0 DCAARO [NH3+]CC[C@H]1CN(C(=O)Cn2sc3ccccc3c2=O)CCO1 ZINC000095497948 185374342 /nfs/dbraw/zinc/37/43/42/185374342.db2.gz WDHJCIGYRONSBY-NSHDSACASA-N 1 0 321.402 0.639 50 0 DCAARO Cc1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc(C)n1 ZINC000095507989 185375969 /nfs/dbraw/zinc/37/59/69/185375969.db2.gz IROSRMOLJAGHEE-OAHLLOKOSA-N 1 0 318.421 0.725 50 0 DCAARO COCCN(CC[NH+](C)C)C(=O)c1[nH]ncc1Br ZINC000076993928 185064392 /nfs/dbraw/zinc/06/43/92/185064392.db2.gz XHHZIONWWJDRPK-UHFFFAOYSA-N 1 0 319.203 0.822 50 0 DCAARO C[NH+](C)CCNc1cc(-c2c[nH]c(=O)[nH]c2=O)c2cc[nH]c2n1 ZINC000072132011 191044866 /nfs/dbraw/zinc/04/48/66/191044866.db2.gz IHJSVYCPHGRJBB-UHFFFAOYSA-N 1 0 314.349 0.580 50 0 DCAARO Cc1ccccc1OCC(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072143339 191049908 /nfs/dbraw/zinc/04/99/08/191049908.db2.gz QEOYLUYNVZHXKD-KRWDZBQOSA-N 1 0 320.389 0.591 50 0 DCAARO OCc1ccc2c(c1)CN(Cc1cc3n(n1)CC[NH2+]C3)CCO2 ZINC000072146239 191053099 /nfs/dbraw/zinc/05/30/99/191053099.db2.gz QQULPURTOFGBPF-UHFFFAOYSA-N 1 0 314.389 0.873 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)COc2ccc3c(c2)OCO3)C1 ZINC000072167918 191067286 /nfs/dbraw/zinc/06/72/86/191067286.db2.gz DJZJTHOIZPLBEO-INIZCTEOSA-N 1 0 322.361 0.319 50 0 DCAARO CN(CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1)Cc1ccncc1 ZINC000072168729 191067953 /nfs/dbraw/zinc/06/79/53/191067953.db2.gz ZEXXKFFFPBFWGU-MRXNPFEDSA-N 1 0 306.410 0.038 50 0 DCAARO Cc1cnn(C[C@@H]2CCCC[N@@H+]2CCCS(N)(=O)=O)c1 ZINC000072253318 191087036 /nfs/dbraw/zinc/08/70/36/191087036.db2.gz ORIHRPIZTNUMHZ-ZDUSSCGKSA-N 1 0 300.428 0.725 50 0 DCAARO Cc1nc([C@@H]2CCCN(C(=O)C[NH3+])C2)cc(N2CCOCC2)n1 ZINC000072429512 191162797 /nfs/dbraw/zinc/16/27/97/191162797.db2.gz SLKUCILUZCESEA-CYBMUJFWSA-N 1 0 319.409 0.286 50 0 DCAARO COCCNc1nc(C)nc2c1CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC000072458660 191172537 /nfs/dbraw/zinc/17/25/37/191172537.db2.gz LNJKKXCTHSKBBU-CQSZACIVSA-N 1 0 319.453 0.996 50 0 DCAARO CN(CCCc1nccn1C)c1ncnc2c1CC[NH2+]CC2 ZINC000072456888 191172680 /nfs/dbraw/zinc/17/26/80/191172680.db2.gz YXRAHKSXSORABF-UHFFFAOYSA-N 1 0 300.410 0.967 50 0 DCAARO C[NH+](C)CCN1C[C@H](C(=O)NCCc2cscn2)CC1=O ZINC000073475404 191319394 /nfs/dbraw/zinc/31/93/94/191319394.db2.gz WUALWJPXIGEKRP-LLVKDONJSA-N 1 0 310.423 0.212 50 0 DCAARO CSc1nccc(N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)n1 ZINC000077385475 191705462 /nfs/dbraw/zinc/70/54/62/191705462.db2.gz IAIOOFGSKIOFIA-OAHLLOKOSA-N 1 0 324.450 0.862 50 0 DCAARO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000237419556 202260384 /nfs/dbraw/zinc/26/03/84/202260384.db2.gz LHKHVNXCEBASOX-SNVBAGLBSA-N 1 0 318.420 0.202 50 0 DCAARO O=C(NCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238012519 202417668 /nfs/dbraw/zinc/41/76/68/202417668.db2.gz BMRGKIQCVQXQAS-KOLCDFICSA-N 1 0 312.753 0.450 50 0 DCAARO CC[N@H+](C)C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1CO ZINC000091410369 193052507 /nfs/dbraw/zinc/05/25/07/193052507.db2.gz OTHXFAPLTDIWEL-ZIAGYGMSSA-N 1 0 316.409 0.659 50 0 DCAARO CC[N@H+](CCO)C[C@@H]1CN(c2noc(C(C)C)n2)C[C@@H]1CO ZINC000091468793 193060013 /nfs/dbraw/zinc/06/00/13/193060013.db2.gz MMLRVSNJDUMUOK-CHWSQXEVSA-N 1 0 312.414 0.552 50 0 DCAARO NC(=O)C1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccccn2)CC1 ZINC000091486582 193063376 /nfs/dbraw/zinc/06/33/76/193063376.db2.gz RXEOJOCHBVZUST-OAHLLOKOSA-N 1 0 316.405 0.942 50 0 DCAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC000091620928 193080974 /nfs/dbraw/zinc/08/09/74/193080974.db2.gz ISOHFSLZJAISKH-VXGBXAGGSA-N 1 0 320.393 0.020 50 0 DCAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(CC(=O)NCc1ccco1)C2 ZINC000091830399 193114222 /nfs/dbraw/zinc/11/42/22/193114222.db2.gz ZMTQUDMLERMBSB-LSDHHAIUSA-N 1 0 321.421 0.938 50 0 DCAARO CN(C[C@H](O)C[N@@H+]1CC[C@H](CCO)C1)C(=O)OC(C)(C)C ZINC000496829874 241260124 /nfs/dbraw/zinc/26/01/24/241260124.db2.gz BBMFBHBBRYWSRG-OLZOCXBDSA-N 1 0 302.415 0.919 50 0 DCAARO CCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1 ZINC000015864100 182022722 /nfs/dbraw/zinc/02/27/22/182022722.db2.gz QVFCZIIATXDDCB-UHFFFAOYSA-N 1 0 311.332 0.859 50 0 DCAARO COc1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000019772581 182145211 /nfs/dbraw/zinc/14/52/11/182145211.db2.gz BGWJFCJYYMKETM-NSHDSACASA-N 1 0 315.391 0.989 50 0 DCAARO C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000097653526 193743276 /nfs/dbraw/zinc/74/32/76/193743276.db2.gz KYYAOIDCYPMLDX-STQMWFEESA-N 1 0 318.377 0.394 50 0 DCAARO COc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000020819454 182247834 /nfs/dbraw/zinc/24/78/34/182247834.db2.gz CZLSBRNIKMTBCK-UHFFFAOYSA-N 1 0 313.423 0.221 50 0 DCAARO O=S1(=O)C[C@H](O)[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)C1 ZINC000023248950 182355019 /nfs/dbraw/zinc/35/50/19/182355019.db2.gz FZQXFCKUFDXIGB-XHSDSOJGSA-N 1 0 324.446 0.571 50 0 DCAARO CSCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000040464491 183071552 /nfs/dbraw/zinc/07/15/52/183071552.db2.gz LPJIKDRIRGRKNO-AWEZNQCLSA-N 1 0 308.451 0.806 50 0 DCAARO O=C(Cn1cnnn1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000041936118 183225997 /nfs/dbraw/zinc/22/59/97/183225997.db2.gz OAPOBPCVTWJIJH-UHFFFAOYSA-N 1 0 306.395 0.469 50 0 DCAARO O=C(NCCc1cnccn1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065525554 184359865 /nfs/dbraw/zinc/35/98/65/184359865.db2.gz ISIUAAAFNLCJEP-GFCCVEGCSA-N 1 0 315.381 0.040 50 0 DCAARO CCN1C[C@@H]([NH2+]CC(=O)NCc2ccccc2OC)CC1=O ZINC000065528031 184360379 /nfs/dbraw/zinc/36/03/79/184360379.db2.gz JQOKVXPTGGWUOJ-ZDUSSCGKSA-N 1 0 305.378 0.522 50 0 DCAARO COc1ccc(C[N@H+](C)C[C@@H](O)CO)cc1Cn1cccn1 ZINC000216507347 257273366 /nfs/dbraw/zinc/27/33/66/257273366.db2.gz PGCPDXOHJHXGCX-OAHLLOKOSA-N 1 0 305.378 0.725 50 0 DCAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000237588994 257238380 /nfs/dbraw/zinc/23/83/80/257238380.db2.gz QBGPADGGLPXMRQ-WCQYABFASA-N 1 0 305.378 0.893 50 0 DCAARO COc1cccc(C[C@H](NC(C)=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000237250899 257239140 /nfs/dbraw/zinc/23/91/40/257239140.db2.gz DAHAQXJKTTXPDE-WBMJQRKESA-N 1 0 319.405 0.563 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000237126110 257239548 /nfs/dbraw/zinc/23/95/48/257239548.db2.gz YAJRBSFBEWEWCJ-JTQLQIEISA-N 1 0 315.370 0.297 50 0 DCAARO COc1ccc(-n2c(CC[NH3+])nnc2SC[C@H](O)CO)cc1 ZINC000426677988 257244482 /nfs/dbraw/zinc/24/44/82/257244482.db2.gz JRAZBUDTEJOCLC-LLVKDONJSA-N 1 0 324.406 0.222 50 0 DCAARO COc1ccc(C(=O)N2CCN(C)C(=O)[C@@H]2C)c(OCC[NH3+])c1 ZINC000426493902 257248538 /nfs/dbraw/zinc/24/85/38/257248538.db2.gz CMVCGQUFTMEVSP-NSHDSACASA-N 1 0 321.377 0.335 50 0 DCAARO CCNC(=O)[C@H](C)NC(=O)c1ccc(OC)cc1OCC[NH3+] ZINC000426503697 257248606 /nfs/dbraw/zinc/24/86/06/257248606.db2.gz UWSJBZDSUMHXGP-JTQLQIEISA-N 1 0 309.366 0.287 50 0 DCAARO Cc1nc2cc(C)ccn2c1C(=O)N1C[C@@H]2[NH2+]CCO[C@H]2C1 ZINC000426490202 257249145 /nfs/dbraw/zinc/24/91/45/257249145.db2.gz JOXAMIRPOIXASF-STQMWFEESA-N 1 0 300.362 0.764 50 0 DCAARO COC(=O)C(C)(C)NC(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426431378 257250412 /nfs/dbraw/zinc/25/04/12/257250412.db2.gz RVOJSDNUFYEEIB-NSHDSACASA-N 1 0 308.382 0.418 50 0 DCAARO Cc1ccccc1N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000010111551 395685891 /nfs/dbraw/zinc/68/58/91/395685891.db2.gz RIXLKZSKYBYJNA-UHFFFAOYSA-N 1 0 313.423 0.439 50 0 DCAARO C[C@@H](C(=O)NC[C@H](O)COc1ccc(F)c(F)c1)[NH+](C)C ZINC000089496702 395712583 /nfs/dbraw/zinc/71/25/83/395712583.db2.gz HNQHWTNQZIONNE-UWVGGRQHSA-N 1 0 302.321 0.771 50 0 DCAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CNC(=O)N1 ZINC000089799942 395715419 /nfs/dbraw/zinc/71/54/19/395715419.db2.gz GBRWGPZFYYQMNL-WDEREUQCSA-N 1 0 308.407 0.683 50 0 DCAARO Cc1nc2ccccc2n(CCC(=O)NCC[NH+](C)C)c1=O ZINC000033005017 395715566 /nfs/dbraw/zinc/71/55/66/395715566.db2.gz ZGQOSVXEDJNCHR-UHFFFAOYSA-N 1 0 302.378 0.773 50 0 DCAARO CN1C(=O)N[C@](C)([C@H]2CCC[N@H+](CCn3cccn3)C2)C1=O ZINC000089914265 395716657 /nfs/dbraw/zinc/71/66/57/395716657.db2.gz LNQBNYBNJPXQRZ-SWLSCSKDSA-N 1 0 305.382 0.535 50 0 DCAARO CCNC(=O)CC[N@@H+]1CC[C@H](N(Cc2noc(C)n2)C(C)=O)C1 ZINC000095402378 395740339 /nfs/dbraw/zinc/74/03/39/395740339.db2.gz RINXCFCSICTLBL-ZDUSSCGKSA-N 1 0 323.397 0.327 50 0 DCAARO CCC(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000096098689 395744487 /nfs/dbraw/zinc/74/44/87/395744487.db2.gz FOIBFGMNFBQEGX-UHFFFAOYSA-N 1 0 305.382 0.372 50 0 DCAARO CC[NH+](CC)CCN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000097094642 395754951 /nfs/dbraw/zinc/75/49/51/395754951.db2.gz FEOQVIJFROYJMU-UHFFFAOYSA-N 1 0 317.499 0.523 50 0 DCAARO O=C(c1cnc(Nc2ccccc2)nc1)N1CC[NH2+]C[C@@H](O)C1 ZINC000097475019 395758018 /nfs/dbraw/zinc/75/80/18/395758018.db2.gz TZOPVMQJMRKPNG-CQSZACIVSA-N 1 0 313.361 0.627 50 0 DCAARO C[NH+](C)[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)C1CCCCC1 ZINC000046949116 395782850 /nfs/dbraw/zinc/78/28/50/395782850.db2.gz RPGCXUQNZFCEKJ-ZDUSSCGKSA-N 1 0 322.409 0.163 50 0 DCAARO CCC[NH+]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC000097527658 395758615 /nfs/dbraw/zinc/75/86/15/395758615.db2.gz OMIUFFSODWXACT-UHFFFAOYSA-N 1 0 308.382 0.058 50 0 DCAARO Cn1cccc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H](O)C1 ZINC000097514290 395758628 /nfs/dbraw/zinc/75/86/28/395758628.db2.gz GGURUDDIIDOCGD-CQSZACIVSA-N 1 0 307.394 0.323 50 0 DCAARO COC(=O)[C@@H]1C[C@@H](O)CN1CCn1c(C)nc2ccccc21 ZINC000225352857 395859184 /nfs/dbraw/zinc/85/91/84/395859184.db2.gz QSCZAIWNYNDGKZ-DOMZBBRYSA-N 1 0 303.362 0.953 50 0 DCAARO Cc1nc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)cn1C ZINC000195574155 395832231 /nfs/dbraw/zinc/83/22/31/395832231.db2.gz ZTJJNLHMDUHUIO-LBPRGKRZSA-N 1 0 302.444 0.983 50 0 DCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc2n[nH]nc2c1 ZINC000218971671 395844015 /nfs/dbraw/zinc/84/40/15/395844015.db2.gz DFDRKRPFMZYCAO-GJZGRUSLSA-N 1 0 315.377 0.941 50 0 DCAARO Cc1nc(N)ncc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000219288889 395844515 /nfs/dbraw/zinc/84/45/15/395844515.db2.gz PFJBEPYFQIZOKB-CYBMUJFWSA-N 1 0 319.409 0.740 50 0 DCAARO Cn1cc(C[NH2+]CCNS(C)(=O)=O)c(-c2cccnc2)n1 ZINC000051188292 395848210 /nfs/dbraw/zinc/84/82/10/395848210.db2.gz PIFWMFVZRSURCF-UHFFFAOYSA-N 1 0 309.395 0.121 50 0 DCAARO Cc1nn(CCC(=O)NCC[NH+]2CCC(O)CC2)c(C)c1C ZINC000220549929 395849037 /nfs/dbraw/zinc/84/90/37/395849037.db2.gz ZNJASZQHMIEPDV-UHFFFAOYSA-N 1 0 308.426 0.771 50 0 DCAARO CCc1nccn1Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCOC ZINC000220723617 395849524 /nfs/dbraw/zinc/84/95/24/395849524.db2.gz MILSSQHRMJFECK-HAQNSBGRSA-N 1 0 304.398 0.936 50 0 DCAARO COCc1nc(NCCN2CCCC2=O)cc(C2CC([NH3+])C2)n1 ZINC000222433413 395852755 /nfs/dbraw/zinc/85/27/55/395852755.db2.gz SIYVGGLFPXXNMF-UHFFFAOYSA-N 1 0 319.409 0.862 50 0 DCAARO COc1ccc(CC(=O)NC[C@H]2COCC[N@H+](C)C2)cc1OC ZINC000223340261 395855303 /nfs/dbraw/zinc/85/53/03/395855303.db2.gz GBEPAQVLKBRHAO-CQSZACIVSA-N 1 0 322.405 0.941 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C[C@@H]2C)ccc1F ZINC000126257602 395911582 /nfs/dbraw/zinc/91/15/82/395911582.db2.gz ZDHDNAXIOHAVBK-VIFPVBQESA-N 1 0 315.370 0.168 50 0 DCAARO CCc1nnc(NC(=O)CC[N@H+](C)C[C@@H]2COCCO2)s1 ZINC000244817217 395925342 /nfs/dbraw/zinc/92/53/42/395925342.db2.gz SWGWZRMDMYHHMB-SNVBAGLBSA-N 1 0 314.411 0.776 50 0 DCAARO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(Cc1cc(=O)n3cccc(O)c3n1)C2 ZINC000244900266 395926789 /nfs/dbraw/zinc/92/67/89/395926789.db2.gz ZYUWJEXGBFKTJF-HBYGRHMLSA-N 1 0 300.362 0.569 50 0 DCAARO C[C@H]1CCCC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000052877414 395873066 /nfs/dbraw/zinc/87/30/66/395873066.db2.gz SKDWVLIFDJSHOA-LBPRGKRZSA-N 1 0 319.409 0.698 50 0 DCAARO CN1CCO[C@@H](C[NH2+]C[C@@H](O)c2ccc3c(c2)OCCO3)C1 ZINC000229555368 395875344 /nfs/dbraw/zinc/87/53/44/395875344.db2.gz SWDWIKKHIZCEGQ-UONOGXRCSA-N 1 0 308.378 0.411 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000248501281 395989201 /nfs/dbraw/zinc/98/92/01/395989201.db2.gz WJBKZTRALYELSX-UONOGXRCSA-N 1 0 311.426 0.328 50 0 DCAARO CCOc1ccc(CN2CC[C@H](NC(=O)C[NH+](C)C)C2)cn1 ZINC000065267463 395991979 /nfs/dbraw/zinc/99/19/79/395991979.db2.gz SFOUONQNWQVGLU-AWEZNQCLSA-N 1 0 306.410 0.732 50 0 DCAARO Cn1cc(C[NH2+]C[C@@H]2CN(C)CCO2)c(-c2cccnc2)n1 ZINC000065624313 395996126 /nfs/dbraw/zinc/99/61/26/395996126.db2.gz IKHFDALCTIDJFZ-OAHLLOKOSA-N 1 0 301.394 0.902 50 0 DCAARO COc1ccc2[nH]c(=O)c(CN3CCO[C@@H](C[NH3+])C3)cc2c1 ZINC000067742142 396032549 /nfs/dbraw/zinc/03/25/49/396032549.db2.gz NKEPVMQCKBGFHR-AWEZNQCLSA-N 1 0 303.362 0.696 50 0 DCAARO Nc1ncccc1C[NH2+]C[C@@]1(O)CCCN(CC2CC2)C1=O ZINC000067840997 396036131 /nfs/dbraw/zinc/03/61/31/396036131.db2.gz IMLBYDGXHMTGGV-INIZCTEOSA-N 1 0 304.394 0.517 50 0 DCAARO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000067863800 396036893 /nfs/dbraw/zinc/03/68/93/396036893.db2.gz XVIQIBLDEVOMRI-BDJLRTHQSA-N 1 0 320.393 0.060 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CCNC(=O)C2=NNC(=O)CC2)C1 ZINC000067868854 396037342 /nfs/dbraw/zinc/03/73/42/396037342.db2.gz VPLNRBZNNHURKJ-GFCCVEGCSA-N 1 0 310.398 0.116 50 0 DCAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cnn3cc(CCO)cnc23)C1 ZINC000067878996 396037640 /nfs/dbraw/zinc/03/76/40/396037640.db2.gz LHYGCFCILIPTOW-GFCCVEGCSA-N 1 0 317.393 0.336 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(=O)n(C)n1 ZINC000257365755 396047085 /nfs/dbraw/zinc/04/70/85/396047085.db2.gz KKJXWAGCJCTLGI-ZIAGYGMSSA-N 1 0 304.394 0.869 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000156561340 396061632 /nfs/dbraw/zinc/06/16/32/396061632.db2.gz JCXOUKJELFCZEM-ZJUUUORDSA-N 1 0 315.395 0.387 50 0 DCAARO O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276657908 396018937 /nfs/dbraw/zinc/01/89/37/396018937.db2.gz PKOSWJOARAAUOV-HUUCEWRRSA-N 1 0 300.362 0.270 50 0 DCAARO CC[C@H]1CN([C@@H](C)C(=O)Nc2ncccn2)CC[N@@H+]1CCOC ZINC000069738105 396088389 /nfs/dbraw/zinc/08/83/89/396088389.db2.gz HQAZVIGLUDLENK-KBPBESRZSA-N 1 0 321.425 0.846 50 0 DCAARO COC(=O)CNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000069769756 396089694 /nfs/dbraw/zinc/08/96/94/396089694.db2.gz UQNGDIWMOJBBKF-UHFFFAOYSA-N 1 0 319.405 0.796 50 0 DCAARO CN1C(=O)c2cccn2C[C@H]1CNC(=O)C[NH+]1CCCCCC1 ZINC000169778794 396090796 /nfs/dbraw/zinc/09/07/96/396090796.db2.gz VRDZWYKCERJBBU-CQSZACIVSA-N 1 0 318.421 0.935 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2nncs2)CC[N@@H+]1CCOC ZINC000069841416 396091906 /nfs/dbraw/zinc/09/19/06/396091906.db2.gz SBFKIUQTPDHSHU-NSHDSACASA-N 1 0 313.427 0.519 50 0 DCAARO Cc1noc([C@@H]2C[NH2+]C[C@H]2C(=O)NCCCn2cccn2)n1 ZINC000169791183 396093456 /nfs/dbraw/zinc/09/34/56/396093456.db2.gz UEPFUHWSWRMGQF-VXGBXAGGSA-N 1 0 304.354 0.084 50 0 DCAARO CC(C)c1nnc2n1C[C@@H](C[NH2+]CCCS(C)(=O)=O)CC2 ZINC000069892762 396093666 /nfs/dbraw/zinc/09/36/66/396093666.db2.gz FJTWIPOSNZISCJ-GFCCVEGCSA-N 1 0 314.455 0.988 50 0 DCAARO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3nccn3C)CC2)C1 ZINC000069947189 396095189 /nfs/dbraw/zinc/09/51/89/396095189.db2.gz CMYBWIBFRRMUTG-INIZCTEOSA-N 1 0 321.469 0.647 50 0 DCAARO CC(C)OCC[C@@H](O)C[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000170606429 396095214 /nfs/dbraw/zinc/09/52/14/396095214.db2.gz RZDIDDQVVGANEC-OAHLLOKOSA-N 1 0 315.458 0.258 50 0 DCAARO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCCNC1=O)[C@H](C)n1cccn1 ZINC000069926540 396095489 /nfs/dbraw/zinc/09/54/89/396095489.db2.gz PRIMPMOUSGXAIZ-RWMBFGLXSA-N 1 0 307.398 0.207 50 0 DCAARO CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3nccn3C)CC2)C1 ZINC000069947187 396095545 /nfs/dbraw/zinc/09/55/45/396095545.db2.gz CMYBWIBFRRMUTG-MRXNPFEDSA-N 1 0 321.469 0.647 50 0 DCAARO CN(CCO)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000070924587 396106665 /nfs/dbraw/zinc/10/66/65/396106665.db2.gz ASPFWRYPIUNMEN-UHFFFAOYSA-N 1 0 313.442 0.062 50 0 DCAARO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071144815 396110123 /nfs/dbraw/zinc/11/01/23/396110123.db2.gz GHXHAXBJOGYPFM-LLVKDONJSA-N 1 0 311.407 0.276 50 0 DCAARO CC1CCN(CN2C(=O)N[C@@]3(C[NH+]4CCC3CC4)C2=O)CC1 ZINC000071795894 396115038 /nfs/dbraw/zinc/11/50/38/396115038.db2.gz QCRNLUFXFKOKLX-MRXNPFEDSA-N 1 0 306.410 0.896 50 0 DCAARO COCCC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072146673 396127380 /nfs/dbraw/zinc/12/73/80/396127380.db2.gz OPBDRDKFAPWEIA-CVEARBPZSA-N 1 0 304.390 0.876 50 0 DCAARO O[C@@H](C[NH2+]C[C@@H]1CCCN1c1cccnn1)Cn1cccn1 ZINC000072267400 396128014 /nfs/dbraw/zinc/12/80/14/396128014.db2.gz JUNUMULWZGFFBE-KBPBESRZSA-N 1 0 302.382 0.293 50 0 DCAARO O=C(Cc1ccccn1)N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000162091289 396079483 /nfs/dbraw/zinc/07/94/83/396079483.db2.gz ZUFYWIDEOYETKL-LBPRGKRZSA-N 1 0 317.311 0.692 50 0 DCAARO O=C(c1ccncc1)N1CCC([N@@H+]2CCOC[C@@H](CO)C2)CC1 ZINC000077319600 396218145 /nfs/dbraw/zinc/21/81/45/396218145.db2.gz BEVXBMHGVMESLS-CQSZACIVSA-N 1 0 319.405 0.627 50 0 DCAARO Cc1cccnc1N1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000077379614 396220374 /nfs/dbraw/zinc/22/03/74/396220374.db2.gz MIOGIFKFFXHSIS-OAHLLOKOSA-N 1 0 318.421 0.495 50 0 DCAARO CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@H]1CC[NH2+]C1 ZINC000179075700 396220652 /nfs/dbraw/zinc/22/06/52/396220652.db2.gz IBGALKHEUVBBHK-ZDUSSCGKSA-N 1 0 303.341 0.899 50 0 DCAARO CN(Cc1ccc2nsnc2c1)C[C@@]1(O)C[NH2+]CCOC1 ZINC000077406765 396221289 /nfs/dbraw/zinc/22/12/89/396221289.db2.gz VJPNMXQSECHIQC-AWEZNQCLSA-N 1 0 308.407 0.474 50 0 DCAARO CC[NH+](CC)CC(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077428114 396221832 /nfs/dbraw/zinc/22/18/32/396221832.db2.gz OBZGARHECKTAAH-ZDUSSCGKSA-N 1 0 321.425 0.065 50 0 DCAARO CN(Cc1cc(-c2cccs2)n[nH]1)C[C@@]1(O)C[NH2+]CCOC1 ZINC000077437311 396222364 /nfs/dbraw/zinc/22/23/64/396222364.db2.gz WZOBKBHMUARNSK-HNNXBMFYSA-N 1 0 322.434 0.921 50 0 DCAARO CN1CC2(CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)OC1=O ZINC000077518405 396224958 /nfs/dbraw/zinc/22/49/58/396224958.db2.gz OFEADKQWSPXKQN-GFCCVEGCSA-N 1 0 316.423 0.728 50 0 DCAARO Cc1n[nH]c(C)c1CC(=O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000584884664 396632039 /nfs/dbraw/zinc/63/20/39/396632039.db2.gz VTNSIZMUIYGMPR-GJZGRUSLSA-N 1 0 306.410 0.627 50 0 DCAARO COC(C)(C)C(=O)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000584891279 396633872 /nfs/dbraw/zinc/63/38/72/396633872.db2.gz XDQZJACXQDIYGE-UHFFFAOYSA-N 1 0 313.442 0.012 50 0 DCAARO C[N@@H+]1CCOC[C@@H](CNC(=O)Cc2n[nH]c3ccccc23)C1 ZINC000584894653 396634745 /nfs/dbraw/zinc/63/47/45/396634745.db2.gz RPLBUZJSSKKYQQ-LBPRGKRZSA-N 1 0 302.378 0.800 50 0 DCAARO C[C@@H](C(=O)NCCc1nc(N)cc(=O)[nH]1)[NH+]1CCCCCC1 ZINC000584893738 396634913 /nfs/dbraw/zinc/63/49/13/396634913.db2.gz ZIPZFWSYKCMBOH-NSHDSACASA-N 1 0 307.398 0.688 50 0 DCAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCCN2CCCCC2=O)C1 ZINC000584894686 396634982 /nfs/dbraw/zinc/63/49/82/396634982.db2.gz YHQZLYKWHKNMGL-CQSZACIVSA-N 1 0 311.426 0.614 50 0 DCAARO C[NH+]1CCN(C(C)(C)Cn2cnc3cnccc3c2=O)CC1 ZINC000584900196 396636160 /nfs/dbraw/zinc/63/61/60/396636160.db2.gz XQPWPFMRTVPQLS-UHFFFAOYSA-N 1 0 301.394 0.818 50 0 DCAARO COCCn1cnnc1[C@H](C)NC(=O)C[NH+]1CCCCCC1 ZINC000584899178 396636315 /nfs/dbraw/zinc/63/63/15/396636315.db2.gz JLABRSMATGOJJM-ZDUSSCGKSA-N 1 0 309.414 0.978 50 0 DCAARO C[C@@H](NC(=O)C1CC[NH+](C2CCOCC2)CC1)c1nncn1C ZINC000584899346 396636637 /nfs/dbraw/zinc/63/66/37/396636637.db2.gz GSVVFIQNWZSANF-GFCCVEGCSA-N 1 0 321.425 0.883 50 0 DCAARO CCCN1C(=O)N[C@@H](CC(=O)N2CCC[N@H+](CC)CC2)C1=O ZINC000584902487 396637238 /nfs/dbraw/zinc/63/72/38/396637238.db2.gz XSQNJTZLSIEJGN-LBPRGKRZSA-N 1 0 310.398 0.261 50 0 DCAARO COc1ccc2ncn(C[C@@H](O)C[NH+]3CCCC3)c(=O)c2c1 ZINC000584901255 396637290 /nfs/dbraw/zinc/63/72/90/396637290.db2.gz GQVLMCPAHYNCQP-LBPRGKRZSA-N 1 0 303.362 0.862 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2C)CC1 ZINC000299754018 396713635 /nfs/dbraw/zinc/71/36/35/396713635.db2.gz LETWVOXKHYUYSR-NVXWUHKLSA-N 1 0 319.453 0.758 50 0 DCAARO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000299754220 396713881 /nfs/dbraw/zinc/71/38/81/396713881.db2.gz WMTVPLRXZDWKPT-ZIAGYGMSSA-N 1 0 308.382 0.980 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)CC1 ZINC000299754135 396714443 /nfs/dbraw/zinc/71/44/43/396714443.db2.gz BJDOVCPLBYQGOR-GDBMZVCRSA-N 1 0 320.441 0.153 50 0 DCAARO COCC1(C(=O)N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)CCC1 ZINC000091781511 292212000 /nfs/dbraw/zinc/21/20/00/292212000.db2.gz RVOGYJFUMPXHDO-KRWDZBQOSA-N 1 0 323.437 0.616 50 0 DCAARO COc1ccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c(OC)n1 ZINC000220730004 286289446 /nfs/dbraw/zinc/28/94/46/286289446.db2.gz YYSPLNDMJHIKNF-STQMWFEESA-N 1 0 321.377 0.692 50 0 DCAARO COc1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1C)CC2 ZINC000095363339 286395832 /nfs/dbraw/zinc/39/58/32/286395832.db2.gz YFGMGWVEKPTSSG-HOCLYGCPSA-N 1 0 303.406 0.654 50 0 DCAARO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121074164 158206850 /nfs/dbraw/zinc/20/68/50/158206850.db2.gz PTWJZMZYCTVNKX-LBPRGKRZSA-N 1 0 308.382 0.061 50 0 DCAARO CC(C)c1nc(N(C)C)nc(N(C)C[C@@H](C)c2nn[nH]n2)n1 ZINC000129866465 196081431 /nfs/dbraw/zinc/08/14/31/196081431.db2.gz SDGWNSJKOKUOOX-SECBINFHSA-N 1 0 305.390 0.814 50 0 DCAARO C[C@H](Cc1ccccc1)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000132738286 196279698 /nfs/dbraw/zinc/27/96/98/196279698.db2.gz ZDMPQBQIPVZAIM-UKRRQHHQSA-N 1 0 301.390 0.508 50 0 DCAARO CC[N@@H+]1CCC[C@@](O)(CN2CCN(c3cnccn3)CC2)C1 ZINC000046087865 415256807 /nfs/dbraw/zinc/25/68/07/415256807.db2.gz QWYCQIMYMCWPTJ-INIZCTEOSA-N 1 0 305.426 0.445 50 0 DCAARO c1nc2ncnc(NC[C@H]([C@H]3CCOC3)[NH+]3CCOCC3)c2[nH]1 ZINC000047510568 415268823 /nfs/dbraw/zinc/26/88/23/415268823.db2.gz UCCKPBDLGITFEN-NWDGAFQWSA-N 1 0 318.381 0.502 50 0 DCAARO O=C(Cn1nnc2ccccc21)NCCCC[NH+]1CCOCC1 ZINC000048286949 415288543 /nfs/dbraw/zinc/28/85/43/415288543.db2.gz ODGWSMRRDKHJDN-UHFFFAOYSA-N 1 0 317.393 0.660 50 0 DCAARO CC(C)[C@H](NC(=O)C1CCOCC1)c1nnc2n1CC[NH2+]CC2 ZINC000067867482 415391350 /nfs/dbraw/zinc/39/13/50/415391350.db2.gz NDSWTWRQXJHWDR-AWEZNQCLSA-N 1 0 321.425 0.664 50 0 DCAARO CN1C(=O)CO[C@H](C(=O)NCCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000072237966 415407513 /nfs/dbraw/zinc/40/75/13/415407513.db2.gz SHCVSWMDYZFIFU-HOTGVXAUSA-N 1 0 319.405 0.653 50 0 DCAARO Cc1cnc(C)c(N2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC000072429047 415415610 /nfs/dbraw/zinc/41/56/10/415415610.db2.gz BPBFFVVZXLCXLT-UONOGXRCSA-N 1 0 303.410 0.869 50 0 DCAARO C[N@@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000067676637 415379734 /nfs/dbraw/zinc/37/97/34/415379734.db2.gz WKJIKECYMIHBOA-SNVBAGLBSA-N 1 0 317.436 0.094 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(OC)cccc1OC ZINC000067818753 415384618 /nfs/dbraw/zinc/38/46/18/415384618.db2.gz YFPMAUYFNCVHKM-AAEUAGOBSA-N 1 0 307.394 0.742 50 0 DCAARO Cc1c(-c2cc3c(c(F)c2)O[C@H](C[NH3+])C3)c(=O)n(C)c(=O)n1C ZINC000067679378 415385067 /nfs/dbraw/zinc/38/50/67/415385067.db2.gz IFKNJVDDXWSGSH-NSHDSACASA-N 1 0 319.336 0.461 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(OC)cc1O ZINC000067679226 415386264 /nfs/dbraw/zinc/38/62/64/415386264.db2.gz ACDGRPFCCZSAFQ-CABZTGNLSA-N 1 0 307.350 0.079 50 0 DCAARO CCc1nccn1CCC(=O)N1Cc2cnn(CCO)c2C1 ZINC000067896250 415388626 /nfs/dbraw/zinc/38/86/26/415388626.db2.gz MENMZKLNIHOXMQ-UHFFFAOYSA-N 1 0 303.366 0.567 50 0 DCAARO [NH3+][C@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@@H]1C1CC1 ZINC000095366203 415552622 /nfs/dbraw/zinc/55/26/22/415552622.db2.gz ZGRXLCSEMPOTRI-YPMHNXCESA-N 1 0 307.373 0.626 50 0 DCAARO Cc1nccn1Cc1nnc([C@H]2CCC[N@H+](CCCO)C2)n1C ZINC000095364313 415553273 /nfs/dbraw/zinc/55/32/73/415553273.db2.gz KIFIVRSENALJOK-AWEZNQCLSA-N 1 0 318.425 0.930 50 0 DCAARO [NH3+]CC1CCN(c2cnn(Cc3cscn3)c(=O)c2)CC1 ZINC000095357531 415555002 /nfs/dbraw/zinc/55/50/02/415555002.db2.gz CJESOAMEFDMMSX-UHFFFAOYSA-N 1 0 305.407 0.923 50 0 DCAARO CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000095996576 415568080 /nfs/dbraw/zinc/56/80/80/415568080.db2.gz BKMNPDCCDALPPG-UHFFFAOYSA-N 1 0 300.428 0.657 50 0 DCAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)CN1C(=O)CNC1=O ZINC000095956422 415569600 /nfs/dbraw/zinc/56/96/00/415569600.db2.gz AXRLJFLYJGZDNQ-UHFFFAOYSA-N 1 0 318.377 0.129 50 0 DCAARO NC(=O)c1cnc(N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000106857161 415648906 /nfs/dbraw/zinc/64/89/06/415648906.db2.gz MNMNEPSEBHAWAO-RYUDHWBXSA-N 1 0 310.785 0.479 50 0 DCAARO C[C@@]1(O)CC[N@H+](CCC(=O)NCc2ccccc2F)C[C@@H]1O ZINC000097137685 415585530 /nfs/dbraw/zinc/58/55/30/415585530.db2.gz OSUUOJZSJCWSRG-GOEBONIOSA-N 1 0 310.369 0.650 50 0 DCAARO O=C(NC[C@H]1C[NH2+]CCO1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000097173331 415585559 /nfs/dbraw/zinc/58/55/59/415585559.db2.gz VZZBYZYRQOHVJY-SNVBAGLBSA-N 1 0 305.309 0.385 50 0 DCAARO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2nnc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000106865215 415651957 /nfs/dbraw/zinc/65/19/57/415651957.db2.gz JRIHOWNHUAKGFU-VNHYZAJKSA-N 1 0 317.393 0.810 50 0 DCAARO Cc1cc(C[N@@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)on1 ZINC000299767144 416065228 /nfs/dbraw/zinc/06/52/28/416065228.db2.gz DCUFRDUUTUYNDA-UKMLZYKCSA-N 1 0 308.378 0.971 50 0 DCAARO Cc1cc(N)n(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000299776758 416067394 /nfs/dbraw/zinc/06/73/94/416067394.db2.gz GYRBEIHZNIJMSW-UHFFFAOYSA-N 1 0 313.405 0.948 50 0 DCAARO C[C@@H](CNC(=O)Nc1cccc(C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000299789275 416069669 /nfs/dbraw/zinc/06/96/69/416069669.db2.gz ZEALCLZKSZSKIY-LBPRGKRZSA-N 1 0 319.409 0.543 50 0 DCAARO Cn1nncc1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000253395686 416334809 /nfs/dbraw/zinc/33/48/09/416334809.db2.gz PFCRWZDAWMUCET-KGLIPLIRSA-N 1 0 315.377 0.180 50 0 DCAARO COc1cc(C[N@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)cc2c1OCO2 ZINC000215031025 416327192 /nfs/dbraw/zinc/32/71/92/416327192.db2.gz LLSDSSGWQRLJID-LVEBTZEWSA-N 1 0 321.373 0.988 50 0 DCAARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000237577455 416328544 /nfs/dbraw/zinc/32/85/44/416328544.db2.gz MCGDWHLIQPAQKX-DTWKUNHWSA-N 1 0 306.819 0.964 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC000240894799 416330186 /nfs/dbraw/zinc/33/01/86/416330186.db2.gz IPZPTBIRFXYAGV-AGIUHOORSA-N 1 0 317.455 0.255 50 0 DCAARO COCC[N@@H+]1CC[C@H](C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000244708142 416330620 /nfs/dbraw/zinc/33/06/20/416330620.db2.gz KOKMSEHUIYIMFC-LBPRGKRZSA-N 1 0 318.377 0.441 50 0 DCAARO Nc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC(c3nn[nH]n3)CC2)n1 ZINC000244724521 416330976 /nfs/dbraw/zinc/33/09/76/416330976.db2.gz MVVALBADNRHVJK-AOOOYVTPSA-N 1 0 315.385 0.161 50 0 DCAARO CC(C)(CC[NH+]1CCN(C(=O)Cn2cnnn2)CC1)C1CC1 ZINC000583651762 416481507 /nfs/dbraw/zinc/48/15/07/416481507.db2.gz SFGKSYDTOCNNJC-UHFFFAOYSA-N 1 0 306.414 0.644 50 0 DCAARO Nc1nnc(CNC(=O)CSCC[NH+]2CCCC2)s1 ZINC000534635213 416505594 /nfs/dbraw/zinc/50/55/94/416505594.db2.gz DEIQROGEGJVCPJ-UHFFFAOYSA-N 1 0 301.441 0.566 50 0 DCAARO Nc1nc(NCC[NH+]2CCC(CO)CC2)cc(NC2CC2)n1 ZINC000584898629 416516777 /nfs/dbraw/zinc/51/67/77/416516777.db2.gz SLURGOPGJWYNQL-UHFFFAOYSA-N 1 0 306.414 0.171 50 0 DCAARO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299742010 229380155 /nfs/dbraw/zinc/38/01/55/229380155.db2.gz AQIDCCPOESLJME-SCVCMEIPSA-N 1 0 310.785 0.153 50 0 DCAARO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cn3cc(Cl)cnc3n2)C1 ZINC000072140069 273802453 /nfs/dbraw/zinc/80/24/53/273802453.db2.gz BXWUBHBOYJCGGC-CQSZACIVSA-N 1 0 323.784 0.521 50 0 DCAARO CC(=O)Nc1nc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cs1 ZINC000240900786 277091326 /nfs/dbraw/zinc/09/13/26/277091326.db2.gz ITXUHLBNHNDTKD-MNOVXSKESA-N 1 0 312.439 0.988 50 0 DCAARO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000333370959 278220254 /nfs/dbraw/zinc/22/02/54/278220254.db2.gz MJQYKLKNKYTUDY-UKRRQHHQSA-N 1 0 322.453 0.187 50 0 DCAARO C[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(Cl)n2)[C@H]1C[NH3+] ZINC000328599874 278484573 /nfs/dbraw/zinc/48/45/73/278484573.db2.gz UGXAYAPBFPXFKH-BDAKNGLRSA-N 1 0 306.819 0.821 50 0 DCAARO Cc1ccccc1[C@@H]1CN(C(=O)CNC(=O)C[NH3+])[C@H](C)CO1 ZINC000124967988 278957898 /nfs/dbraw/zinc/95/78/98/278957898.db2.gz DRNYFKCQXZERCU-OCCSQVGLSA-N 1 0 305.378 0.358 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000124586630 288319231 /nfs/dbraw/zinc/31/92/31/288319231.db2.gz NGBVUNWHCDJUTH-LLVKDONJSA-N 1 0 302.378 0.899 50 0 DCAARO C[C@@H]1CN(C(=O)CCOc2ccc(C(N)=O)cc2)C[C@@H](C)[NH2+]1 ZINC000153576182 534302747 /nfs/dbraw/zinc/30/27/47/534302747.db2.gz JYSZINAMSBJSRV-VXGBXAGGSA-N 1 0 305.378 0.763 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])o1 ZINC000156966001 522273258 /nfs/dbraw/zinc/27/32/58/522273258.db2.gz YQXCLIUGKVWRRH-NXEZZACHSA-N 1 0 315.395 0.387 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000156561217 522277133 /nfs/dbraw/zinc/27/71/33/522277133.db2.gz JCXOUKJELFCZEM-UWVGGRQHSA-N 1 0 315.395 0.387 50 0 DCAARO Cc1ccccc1[C@@H](CC(=O)N1CC[NH2+]C[C@@H]1C)NC(N)=O ZINC000126430006 525364971 /nfs/dbraw/zinc/36/49/71/525364971.db2.gz GYOKDGACAWQNIW-GXTWGEPZSA-N 1 0 304.394 0.915 50 0 DCAARO O=C(NCCc1ccc(Br)s1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226304579 526402018 /nfs/dbraw/zinc/40/20/18/526402018.db2.gz OGRBSFNZXSUSKX-APPZFPTMSA-N 1 0 319.224 0.892 50 0 DCAARO Cc1ccc(NC(=O)CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c(C)c1 ZINC000670447519 547094791 /nfs/dbraw/zinc/09/47/91/547094791.db2.gz ATIZXZIGKMEMPR-TZMCWYRMSA-N 1 0 305.378 0.471 50 0 DCAARO CN1C[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)OCC1=O ZINC000670461620 547099187 /nfs/dbraw/zinc/09/91/87/547099187.db2.gz MFXTYSQNQVGBHK-QGZVFWFLSA-N 1 0 318.373 0.891 50 0 DCAARO Cc1csc(CN(C)S(=O)(=O)N2CCN(C)CC2)n1 ZINC000670464168 547099541 /nfs/dbraw/zinc/09/95/41/547099541.db2.gz YZGNBRANQXKZQW-UHFFFAOYSA-N 1 0 304.441 0.376 50 0 DCAARO CN1CC2(CCN(C(=O)[C@]3(C)CC[N@H+](C)C3)CC2)OCC1=O ZINC000670468945 547100376 /nfs/dbraw/zinc/10/03/76/547100376.db2.gz JKSUFPFLJMEZKM-OAHLLOKOSA-N 1 0 309.410 0.178 50 0 DCAARO CN1CC[NH+](CC2CCN(c3cncc(C(N)=O)n3)CC2)CC1 ZINC000670467504 547100518 /nfs/dbraw/zinc/10/05/18/547100518.db2.gz MCMROCXRDJJZNW-UHFFFAOYSA-N 1 0 318.425 0.039 50 0 DCAARO CN(C)c1ccc(C[NH2+][C@H]2COC[C@H]2Oc2cn[nH]c2)cn1 ZINC000685941106 548747096 /nfs/dbraw/zinc/74/70/96/548747096.db2.gz RGOOTFLJBMKAED-UONOGXRCSA-N 1 0 303.366 0.807 50 0 DCAARO CC(=O)N1CCC[C@@H](S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000257365072 563595005 /nfs/dbraw/zinc/59/50/05/563595005.db2.gz FUUURUZFUUCUOH-UONOGXRCSA-N 1 0 315.439 0.107 50 0 DCAARO CC[C@H](O)CN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000888096505 661174284 /nfs/dbraw/zinc/17/42/84/661174284.db2.gz YVJLTSDAULXKKM-YQQAZPJKSA-N 1 0 309.454 0.681 50 0 DCAARO CNC(=O)[C@@H]1CN(Cc2ccc3c(c2)CCC(=O)N3C)CCO1 ZINC000187372214 658418098 /nfs/dbraw/zinc/41/80/98/658418098.db2.gz HBKAFIOUDICCDE-HNNXBMFYSA-N 1 0 317.389 0.542 50 0 DCAARO CN1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000002885089 658535434 /nfs/dbraw/zinc/53/54/34/658535434.db2.gz ZSTLUECJBALHKD-UHFFFAOYSA-N 1 0 324.182 0.879 50 0 DCAARO CN(C)S(=O)(=O)N1CCC[C@@H](N(C)CCC[NH+](C)C)C1 ZINC000015076253 661567980 /nfs/dbraw/zinc/56/79/80/661567980.db2.gz YLPGCYBYHVGSJG-CYBMUJFWSA-N 1 0 306.476 0.141 50 0 DCAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)N1CCn2cncc2C1 ZINC000426661182 661688465 /nfs/dbraw/zinc/68/84/65/661688465.db2.gz GDVWYHCPIIAHRW-ZDUSSCGKSA-N 1 0 314.393 0.589 50 0 DCAARO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)NC)cc1 ZINC000864094584 667214438 /nfs/dbraw/zinc/21/44/38/667214438.db2.gz ZEJPHSTWRPABFO-KBPBESRZSA-N 1 0 313.423 0.585 50 0 DCAARO C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@](C)(C1)C2 ZINC000952990988 685602827 /nfs/dbraw/zinc/60/28/27/685602827.db2.gz KUTOADHNPUHGMI-KNXALSJPSA-N 1 0 322.409 0.165 50 0 DCAARO C[C@@H](CS(=O)(=O)N(C)C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000952992392 685602856 /nfs/dbraw/zinc/60/28/56/685602856.db2.gz LWESNQXLFVAQFX-JQWIXIFHSA-N 1 0 300.428 0.667 50 0 DCAARO COCC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCOCC1)CCO2 ZINC000169791354 685141187 /nfs/dbraw/zinc/14/11/87/685141187.db2.gz UNBWAJYXOAYFKW-AWEZNQCLSA-N 1 0 312.410 0.505 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@]2(CCC[C@H]2O)C1 ZINC001704328357 1179973282 /nfs/dbraw/zinc/97/32/82/1179973282.db2.gz MTXPSIFZJQTTJS-ZIAGYGMSSA-N 1 0 304.456 0.895 50 0 DCAARO COc1ncccc1C[NH+]1CCC2(CC1)C[C@@](O)(CO)CCO2 ZINC001704326446 1179974163 /nfs/dbraw/zinc/97/41/63/1179974163.db2.gz XEZFYOLJQWFKGA-MRXNPFEDSA-N 1 0 322.405 0.959 50 0 DCAARO NC(=O)C1([NH+]2CCCCC2)CCN(CCn2cc[nH]c2=O)CC1 ZINC001704347983 1179981199 /nfs/dbraw/zinc/98/11/99/1179981199.db2.gz JORCPXYRFXZINS-UHFFFAOYSA-N 1 0 321.425 0.395 50 0 DCAARO CNC(=O)c1cc(O[C@H]2CCC[N@H+](CC(OC)OC)C2)ccn1 ZINC000585116075 747285259 /nfs/dbraw/zinc/28/52/59/747285259.db2.gz GLFMTRPUVSKZAM-ZDUSSCGKSA-N 1 0 323.393 0.903 50 0 DCAARO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CN(C)S(C)(=O)=O ZINC000585126162 748531512 /nfs/dbraw/zinc/53/15/12/748531512.db2.gz QNZSRGZOSSRISJ-STQMWFEESA-N 1 0 319.471 0.599 50 0 DCAARO C[C@H](Cn1cncn1)C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000820621538 758149766 /nfs/dbraw/zinc/14/97/66/758149766.db2.gz WTLBLOGEBHHXJU-CYBMUJFWSA-N 1 0 323.466 0.954 50 0 DCAARO C[C@@H](CCC(=O)NC1CCS(=O)(=O)CC1)[NH+]1CCCC1 ZINC000821746087 758179850 /nfs/dbraw/zinc/17/98/50/758179850.db2.gz ZDEKHFFYMKHCNZ-LBPRGKRZSA-N 1 0 302.440 0.944 50 0 DCAARO CC[C@H](C(=O)NCCn1c(C)cc(C)nc1=O)[NH+]1CCCC1 ZINC000822555063 758201439 /nfs/dbraw/zinc/20/14/39/758201439.db2.gz BLKPXCLJFAFVQN-CQSZACIVSA-N 1 0 306.410 0.851 50 0 DCAARO CC[C@@H](C(=O)NCCn1c(C)cc(C)nc1=O)[NH+]1CCCC1 ZINC000822555062 758201844 /nfs/dbraw/zinc/20/18/44/758201844.db2.gz BLKPXCLJFAFVQN-AWEZNQCLSA-N 1 0 306.410 0.851 50 0 DCAARO CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@@H](O)C2 ZINC000823597145 758253085 /nfs/dbraw/zinc/25/30/85/758253085.db2.gz CAOLVWXZRRHBKK-GFCCVEGCSA-N 1 0 306.410 0.530 50 0 DCAARO CN(C)C(=O)c1cncc(NCC(C)(C)N2CC[NH+](C)CC2)n1 ZINC000823789380 758276001 /nfs/dbraw/zinc/27/60/01/758276001.db2.gz IZFLKMZOAPPVOQ-UHFFFAOYSA-N 1 0 320.441 0.616 50 0 DCAARO COC[C@@H]1CCCN1S(=O)(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000824370935 758770986 /nfs/dbraw/zinc/77/09/86/758770986.db2.gz DSVZOEKMBQBQKM-AWEZNQCLSA-N 1 0 319.471 0.758 50 0 DCAARO COC[C@@H]1CCCN1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000824371101 758772118 /nfs/dbraw/zinc/77/21/18/758772118.db2.gz YDENPOCLAPUSQO-AWEZNQCLSA-N 1 0 319.471 0.664 50 0 DCAARO COCCOCCN1CCC([N@@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000824447759 758773715 /nfs/dbraw/zinc/77/37/15/758773715.db2.gz KBPNUAIXNKHZDQ-CQSZACIVSA-N 1 0 314.426 0.910 50 0 DCAARO Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2C=CC[NH2+]2)cc1 ZINC000827785156 758881033 /nfs/dbraw/zinc/88/10/33/758881033.db2.gz GFOBDEIQUNXQSR-AWEZNQCLSA-N 1 0 323.418 0.308 50 0 DCAARO CC(=O)N1CCN(C(=O)C2([NH+]3CCCC3)CCCC2)C[C@@H](O)C1 ZINC000828637911 759040103 /nfs/dbraw/zinc/04/01/03/759040103.db2.gz QCPFNWSHQKKXGO-HNNXBMFYSA-N 1 0 323.437 0.447 50 0 DCAARO O=C(NCCC[N@H+]1CCCC[C@H]1CO)C(=O)Nc1ccccc1 ZINC000828710999 759074419 /nfs/dbraw/zinc/07/44/19/759074419.db2.gz WDMISTZGTYROKW-HNNXBMFYSA-N 1 0 319.405 0.978 50 0 DCAARO O=C(c1cnco1)N1CCC2(CC[NH+](CCO)CC2)[C@@H](CO)C1 ZINC000219640959 766274564 /nfs/dbraw/zinc/27/45/64/766274564.db2.gz NAYAFGZHSKFLBI-CYBMUJFWSA-N 1 0 323.393 0.204 50 0 DCAARO CN(C)[S@](C)(=O)=NS(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000952878847 768941794 /nfs/dbraw/zinc/94/17/94/768941794.db2.gz JXKDJPQUOBHVQZ-JEOXALJRSA-N 1 0 320.440 0.095 50 0 DCAARO NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000095497521 185374451 /nfs/dbraw/zinc/37/44/51/185374451.db2.gz GYYNHVZTJOCQGW-CYBMUJFWSA-N 1 0 319.409 0.170 50 0 DCAARO O=C([C@@H]1C[NH2+]CCO1)N1CCCN(Cc2cccc(F)c2)CC1 ZINC000082097089 192354537 /nfs/dbraw/zinc/35/45/37/192354537.db2.gz ZCQVMGPQCZZACP-INIZCTEOSA-N 1 0 321.396 0.848 50 0 DCAARO CO[C@@H](C)CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000095395668 185352751 /nfs/dbraw/zinc/35/27/51/185352751.db2.gz TXFGVHIRZLVLRB-ZDUSSCGKSA-N 1 0 306.410 0.988 50 0 DCAARO C[NH+](C)C1CCN(CCNC(=O)NCc2cccnc2)CC1 ZINC000095407375 185356302 /nfs/dbraw/zinc/35/63/02/185356302.db2.gz NDSXGEYRFOFVKT-UHFFFAOYSA-N 1 0 305.426 0.907 50 0 DCAARO COCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000080599358 192171823 /nfs/dbraw/zinc/17/18/23/192171823.db2.gz DHJXRMPPGOEIEE-UHFFFAOYSA-N 1 0 312.458 0.882 50 0 DCAARO CN(Cc1nc(-c2cccnc2)no1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000072127365 191042890 /nfs/dbraw/zinc/04/28/90/191042890.db2.gz CKXYESHQFBGKSR-LBPRGKRZSA-N 1 0 317.349 0.469 50 0 DCAARO [NH3+][C@H]1CCCN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)CC1 ZINC000072159086 191062032 /nfs/dbraw/zinc/06/20/32/191062032.db2.gz SAYWUUHFJZLJRQ-ZDUSSCGKSA-N 1 0 318.356 0.819 50 0 DCAARO CN(C)c1ccccc1C(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072151246 191056704 /nfs/dbraw/zinc/05/67/04/191056704.db2.gz NOCKFZFDIGHBSP-KRWDZBQOSA-N 1 0 319.405 0.584 50 0 DCAARO O=C(CN1CCOc2ccccc2C1)N1CCC[C@@](O)(CO)C1 ZINC000072172611 191069843 /nfs/dbraw/zinc/06/98/43/191069843.db2.gz QPWYLXVWVWEIAR-KRWDZBQOSA-N 1 0 320.389 0.227 50 0 DCAARO CN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC000072435924 191166737 /nfs/dbraw/zinc/16/67/37/191166737.db2.gz MTIZPBWJLLVULH-NWDGAFQWSA-N 1 0 322.413 0.113 50 0 DCAARO Cc1cc2nc(C)cc(NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)n2n1 ZINC000072429396 191163515 /nfs/dbraw/zinc/16/35/15/191163515.db2.gz DYAWDVANFBMWME-CYBMUJFWSA-N 1 0 316.409 0.955 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1ccccc1 ZINC000004700433 181139234 /nfs/dbraw/zinc/13/92/34/181139234.db2.gz IKAZYGDMROOJEG-HNNXBMFYSA-N 1 0 303.406 0.946 50 0 DCAARO CNC(=O)c1cncc(/C=C/C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000237209438 202190285 /nfs/dbraw/zinc/19/02/85/202190285.db2.gz QVBPTIGXLISWLB-GJBLVYBDSA-N 1 0 302.378 0.794 50 0 DCAARO Cc1nnc(CN(C)CC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])n1C ZINC000156866390 237054669 /nfs/dbraw/zinc/05/46/69/237054669.db2.gz RPFAUGLAEOCWPD-AAEUAGOBSA-N 1 0 308.430 0.141 50 0 DCAARO O=C(NCc1ccccc1CN1CCCC1=O)[C@H]1C[NH2+]CCO1 ZINC000187360590 200101606 /nfs/dbraw/zinc/10/16/06/200101606.db2.gz FCXYNCUNPJUIJK-OAHLLOKOSA-N 1 0 317.389 0.414 50 0 DCAARO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276703842 238323891 /nfs/dbraw/zinc/32/38/91/238323891.db2.gz XGVXQWDQKDSOCF-NILFDRSVSA-N 1 0 307.369 0.491 50 0 DCAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000299739973 296028706 /nfs/dbraw/zinc/02/87/06/296028706.db2.gz UHBFIAOGMBSBKO-LPWJVIDDSA-N 1 0 305.444 0.400 50 0 DCAARO COc1ccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(OC)n1 ZINC000244874995 202506422 /nfs/dbraw/zinc/50/64/22/202506422.db2.gz XKWLHOLAJOKLHG-GFCCVEGCSA-N 1 0 320.393 0.219 50 0 DCAARO Cc1cc(C)c(C(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)c(=O)[nH]1 ZINC000091643997 193084183 /nfs/dbraw/zinc/08/41/83/193084183.db2.gz ABYAHTONFCLMGV-QGZVFWFLSA-N 1 0 321.421 0.911 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1CO ZINC000091706961 193095270 /nfs/dbraw/zinc/09/52/70/193095270.db2.gz CKWZUCBQJAYSIA-ZIAGYGMSSA-N 1 0 309.410 0.284 50 0 DCAARO CCN1CC[C@]2(CN(Cc3nnc(C)o3)CC[N@@H+]2C)CCC1=O ZINC000091620278 193080790 /nfs/dbraw/zinc/08/07/90/193080790.db2.gz DSNVXGCVDCXFND-INIZCTEOSA-N 1 0 321.425 0.897 50 0 DCAARO [NH3+][C@H]1CN(c2nccc(N3CCC(O)CC3)n2)C[C@@H]1C1CC1 ZINC000091892536 193123430 /nfs/dbraw/zinc/12/34/30/193123430.db2.gz JAITXIDLDGPOHJ-KGLIPLIRSA-N 1 0 303.410 0.611 50 0 DCAARO CN1CCN(C(=O)C[N@@H+]2CCC[C@](CO)(CC3CC3)C2)CC1 ZINC000091966570 193133855 /nfs/dbraw/zinc/13/38/55/193133855.db2.gz GQQCPROLXJLGMA-KRWDZBQOSA-N 1 0 309.454 0.635 50 0 DCAARO CC[NH+](CC)CCNC(=O)c1c(O)nc2sccn2c1=O ZINC000016690020 182058022 /nfs/dbraw/zinc/05/80/22/182058022.db2.gz RECAMHQAWJSGSS-UHFFFAOYSA-N 1 0 310.379 0.533 50 0 DCAARO COCc1cn(C2CC[NH+](Cc3cc[nH]c(=O)c3)CC2)nn1 ZINC000019228531 182109260 /nfs/dbraw/zinc/10/92/60/182109260.db2.gz AUFNYAFVUOHDCS-UHFFFAOYSA-N 1 0 303.366 0.950 50 0 DCAARO COc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1OC ZINC000020182666 182195105 /nfs/dbraw/zinc/19/51/05/182195105.db2.gz RKCQBGCSUCIEOV-JTQLQIEISA-N 1 0 300.380 0.816 50 0 DCAARO C[N@@H+]1CCN(Cc2cccn2-c2ncccn2)C[C@@H]1CCO ZINC000020775391 182246581 /nfs/dbraw/zinc/24/65/81/182246581.db2.gz QNZAZXXEWGOPCZ-AWEZNQCLSA-N 1 0 301.394 0.766 50 0 DCAARO C[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1 ZINC000021487225 182274794 /nfs/dbraw/zinc/27/47/94/182274794.db2.gz XWBMJULURSXGMW-UHFFFAOYSA-N 1 0 311.451 0.991 50 0 DCAARO Cc1cc(=O)n2nc(C[NH+]3CCC(C(N)=O)CC3)sc2n1 ZINC000021670861 182283421 /nfs/dbraw/zinc/28/34/21/182283421.db2.gz VKAPKZMCRYTNFA-UHFFFAOYSA-N 1 0 307.379 0.157 50 0 DCAARO O=S1(=O)C[C@H](O)[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000022787024 182334902 /nfs/dbraw/zinc/33/49/02/182334902.db2.gz NZYRXLCDZBUGLI-ZNMIVQPWSA-N 1 0 310.419 0.008 50 0 DCAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+]C(C)(C)CO ZINC000040162330 183041669 /nfs/dbraw/zinc/04/16/69/183041669.db2.gz JAUCUOVXVJYOCB-ZDUSSCGKSA-N 1 0 311.378 0.998 50 0 DCAARO C[NH+](C)C(C)(C)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000043189249 183343803 /nfs/dbraw/zinc/34/38/03/183343803.db2.gz QJPXBQPTWVBXJX-UHFFFAOYSA-N 1 0 317.397 0.802 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCc2cnn(C)c2)C1 ZINC000043820971 183386729 /nfs/dbraw/zinc/38/67/29/183386729.db2.gz QNKMCTJDYIKDPW-OAHLLOKOSA-N 1 0 323.441 0.619 50 0 DCAARO CCS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000058330664 184106184 /nfs/dbraw/zinc/10/61/84/184106184.db2.gz XPBDQFKZAMBGJG-ZDUSSCGKSA-N 1 0 317.455 0.259 50 0 DCAARO O=C(Cn1cnnn1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058971398 184132870 /nfs/dbraw/zinc/13/28/70/184132870.db2.gz PRIMMSQPFDWWIE-UHFFFAOYSA-N 1 0 318.356 0.593 50 0 DCAARO CCCNC(=O)c1cnn2c1n(CC)c1c(c2=O)C[N@@H+](C)CC1 ZINC000064836015 184304496 /nfs/dbraw/zinc/30/44/96/184304496.db2.gz BDSBYHJCOCSAJE-UHFFFAOYSA-N 1 0 317.393 0.644 50 0 DCAARO C[NH+](C)CCNC(=O)c1cc(N2CCCC2)n2nccc2n1 ZINC000065239645 184317301 /nfs/dbraw/zinc/31/73/01/184317301.db2.gz NWZRPORRBNLLBS-UHFFFAOYSA-N 1 0 302.382 0.621 50 0 DCAARO COc1nc2c(cc1C(=O)N[C@@H]1C[C@@H](CO)[N@H+](C)C1)CCC2 ZINC000065372677 184330934 /nfs/dbraw/zinc/33/09/34/184330934.db2.gz IFRIYVUTJVKYPY-NEPJUHHUSA-N 1 0 305.378 0.374 50 0 DCAARO CC[NH+]1CCN(CCCNC(=O)N[C@H](C)c2nncn2C)CC1 ZINC000065415726 184340837 /nfs/dbraw/zinc/34/08/37/184340837.db2.gz KWQFYTVYQVJLBN-CYBMUJFWSA-N 1 0 323.445 0.203 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)N[C@@H](C)Cn2ccnc2)CC1 ZINC000065437105 184345761 /nfs/dbraw/zinc/34/57/61/184345761.db2.gz HYESJBYOIXTDBL-AWEZNQCLSA-N 1 0 309.414 0.635 50 0 DCAARO CC[C@@H]([NH2+]CCS(=O)(=O)NC)C(=O)NC1CCCCC1 ZINC000065505704 184356742 /nfs/dbraw/zinc/35/67/42/184356742.db2.gz DKQBILWXEAIURY-GFCCVEGCSA-N 1 0 305.444 0.353 50 0 DCAARO NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000067885398 184489917 /nfs/dbraw/zinc/48/99/17/184489917.db2.gz QTKBWGPRNGUOKH-LBPRGKRZSA-N 1 0 312.373 0.658 50 0 DCAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000178983936 256591162 /nfs/dbraw/zinc/59/11/62/256591162.db2.gz QVADDCFQKVSUCF-JTQLQIEISA-N 1 0 320.784 0.997 50 0 DCAARO COCn1nc(Br)nc1N1CCC[N@H+](C)CC1 ZINC000216627908 257273425 /nfs/dbraw/zinc/27/34/25/257273425.db2.gz NEIIFQJLZHINNZ-UHFFFAOYSA-N 1 0 304.192 0.786 50 0 DCAARO O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250837724 257237717 /nfs/dbraw/zinc/23/77/17/257237717.db2.gz LDUNOOLMIWQQQG-XQHKEYJVSA-N 1 0 300.424 0.601 50 0 DCAARO Nc1cncc(-c2ccc(C(=O)NC[C@]3(O)CC[NH2+]C3)cc2)c1 ZINC000426711508 257243171 /nfs/dbraw/zinc/24/31/71/257243171.db2.gz UVLQIYOBFSCFPH-KRWDZBQOSA-N 1 0 312.373 0.785 50 0 DCAARO C[NH+](C)C1(CNC(=O)c2nnc3n2CCCC3)CCOCC1 ZINC000426684465 257244373 /nfs/dbraw/zinc/24/43/73/257244373.db2.gz MLPKSAGAPUQXFX-UHFFFAOYSA-N 1 0 307.398 0.455 50 0 DCAARO Cn1c(SCC(=O)N2CCCC2)nnc1C1CC[NH2+]CC1 ZINC000426552002 257246743 /nfs/dbraw/zinc/24/67/43/257246743.db2.gz PFVWHEVYUVNQFU-UHFFFAOYSA-N 1 0 309.439 0.997 50 0 DCAARO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)NCc1nnn[n-]1 ZINC000426538386 257247098 /nfs/dbraw/zinc/24/70/98/257247098.db2.gz LPRFVCLLEMUWOI-GFCCVEGCSA-N 1 0 301.354 0.056 50 0 DCAARO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(N(C)C)nc2)CC1 ZINC000071841805 184866071 /nfs/dbraw/zinc/86/60/71/184866071.db2.gz RRGVPTPATNBUIA-AWEZNQCLSA-N 1 0 319.453 0.903 50 0 DCAARO COC(=O)CN(C)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000069660678 184834246 /nfs/dbraw/zinc/83/42/46/184834246.db2.gz AMHQVEDTFBWEFD-UHFFFAOYSA-N 1 0 319.405 0.830 50 0 DCAARO Cc1cc(S(=O)(=O)N[C@H]2[C@@H]3OCC[C@@H]3[C@@H]2[NH3+])c(C)s1 ZINC000219697833 291980665 /nfs/dbraw/zinc/98/06/65/291980665.db2.gz QZYZIJGFMIZSMZ-SASUGWTJSA-N 1 0 302.421 0.758 50 0 DCAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2CCC(C(N)=O)CC2)n1 ZINC000067741028 134836165 /nfs/dbraw/zinc/83/61/65/134836165.db2.gz CRQCLEMWPBYZOP-CYBMUJFWSA-N 1 0 303.410 0.954 50 0 DCAARO CC[NH+](CC)CCNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000032502479 395711191 /nfs/dbraw/zinc/71/11/91/395711191.db2.gz VQYKDPLDZFPCMJ-UHFFFAOYSA-N 1 0 302.382 0.663 50 0 DCAARO Cc1nc(C)c(CC(=O)N[C@H](C)C[NH+]2CCCCC2)c(=O)[nH]1 ZINC000032664518 395712296 /nfs/dbraw/zinc/71/22/96/395712296.db2.gz GNKOHGNLTLXFDJ-LLVKDONJSA-N 1 0 306.410 0.920 50 0 DCAARO CCCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(OC)c1 ZINC000033032622 395715929 /nfs/dbraw/zinc/71/59/29/395715929.db2.gz YGUAYOSYWSOGJI-UHFFFAOYSA-N 1 0 319.405 0.979 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCn3cccn3)C[C@H]2C)CC1 ZINC000089937284 395717327 /nfs/dbraw/zinc/71/73/27/395717327.db2.gz RXWLVHSKOMDYBK-ZBFHGGJFSA-N 1 0 305.426 0.368 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000036297754 395722715 /nfs/dbraw/zinc/72/27/15/395722715.db2.gz OQMRTSYLFSENPN-BZPMIXESSA-N 1 0 313.423 0.630 50 0 DCAARO O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037012560 395725724 /nfs/dbraw/zinc/72/57/24/395725724.db2.gz SABVTHQTVOYILS-DTWKUNHWSA-N 1 0 305.256 0.684 50 0 DCAARO C[C@@H](CCc1cccn1C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000096440119 395753414 /nfs/dbraw/zinc/75/34/14/395753414.db2.gz WYNPVGHFEOUGQP-GOEBONIOSA-N 1 0 321.469 0.891 50 0 DCAARO C[C@@H]1CN(C(=O)C[NH+]2CCC(c3cnn(C)c3)CC2)CCO1 ZINC000097203221 395756113 /nfs/dbraw/zinc/75/61/13/395756113.db2.gz RWAKILMLOIBQBF-CYBMUJFWSA-N 1 0 306.410 0.847 50 0 DCAARO [NH3+]C[C@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C1CC1 ZINC000097229401 395756578 /nfs/dbraw/zinc/75/65/78/395756578.db2.gz KQOJCVFURFKTTL-HNNXBMFYSA-N 1 0 320.418 0.947 50 0 DCAARO Cc1cc(C)n2nc(C(=O)NCC[NH+]3CCCCC3)nc2n1 ZINC000047140820 395787408 /nfs/dbraw/zinc/78/74/08/395787408.db2.gz SIPKNWZKXZKYCB-UHFFFAOYSA-N 1 0 302.382 0.957 50 0 DCAARO CCC[N@@H+]1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@H](O)C1 ZINC000097570951 395758664 /nfs/dbraw/zinc/75/86/64/395758664.db2.gz KAYANJLIPWUJIX-GFCCVEGCSA-N 1 0 306.410 0.817 50 0 DCAARO O=C(C[NH2+]C1CC1)N1CCN(Cc2ccccc2F)C[C@@H](O)C1 ZINC000097759436 395760221 /nfs/dbraw/zinc/76/02/21/395760221.db2.gz HGEJZFFZXQRIKO-OAHLLOKOSA-N 1 0 321.396 0.583 50 0 DCAARO O=C(c1cnccn1)N1CCC([NH2+][C@H]2C[C@@H]3OCC[C@H]23)CC1 ZINC000219293236 395844839 /nfs/dbraw/zinc/84/48/39/395844839.db2.gz UEGQZNXLNNOYKB-IPYPFGDCSA-N 1 0 302.378 0.848 50 0 DCAARO Cc1ccnc(SCC(=O)NC[C@@H]2COCC[N@@H+](C)C2)n1 ZINC000223901243 395857550 /nfs/dbraw/zinc/85/75/50/395857550.db2.gz KVHXHXCVNPVRCT-LBPRGKRZSA-N 1 0 310.423 0.572 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCCCc2ccccc2O)C1 ZINC000055108363 395911520 /nfs/dbraw/zinc/91/15/20/395911520.db2.gz WWZSLRHNCUGWJK-CQSZACIVSA-N 1 0 319.405 0.638 50 0 DCAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(NC(=O)C(C)C)c1 ZINC000055413394 395918782 /nfs/dbraw/zinc/91/87/82/395918782.db2.gz KJJQBADFTCOTKZ-YGRLFVJLSA-N 1 0 321.377 0.951 50 0 DCAARO NC(=O)NC(=O)CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000055472065 395919597 /nfs/dbraw/zinc/91/95/97/395919597.db2.gz QAAYWRILXVGBSS-UHFFFAOYSA-N 1 0 322.384 0.918 50 0 DCAARO COc1ccc(OC)c([C@H](O)CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000229517252 395875013 /nfs/dbraw/zinc/87/50/13/395875013.db2.gz SRNZWVTUUUPJRX-GOEBONIOSA-N 1 0 324.421 1.000 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C[C@@H](O)c2ccc3c(c2)OCO3)CCO1 ZINC000229555133 395875821 /nfs/dbraw/zinc/87/58/21/395875821.db2.gz STDUVQMYBDVGCD-ZIAGYGMSSA-N 1 0 308.378 0.711 50 0 DCAARO Cc1nn(CC[NH2+]CCS(C)(=O)=O)c(C)c1Br ZINC000053535271 395885468 /nfs/dbraw/zinc/88/54/68/395885468.db2.gz MYAIUSBIVAGUAJ-UHFFFAOYSA-N 1 0 324.244 0.897 50 0 DCAARO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1S(N)(=O)=O ZINC000153965806 396028162 /nfs/dbraw/zinc/02/81/62/396028162.db2.gz FZVIJSIJFOLVLY-GHMZBOCLSA-N 1 0 311.407 0.465 50 0 DCAARO Cc1nnc([C@H]2CCC[N@H+](CCn3c(=O)cc(C)[nH]c3=O)C2)[nH]1 ZINC000253536391 396029435 /nfs/dbraw/zinc/02/94/35/396029435.db2.gz DRNUSLZTLNFAFO-LBPRGKRZSA-N 1 0 318.381 0.563 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc2ccccc2[nH]1 ZINC000067757738 396033389 /nfs/dbraw/zinc/03/33/89/396033389.db2.gz RLUNLHDOXMDFOR-RISCZKNCSA-N 1 0 300.362 0.846 50 0 DCAARO NC(=O)C(=O)NCC[C@@H]1C[N@@H+](C2CCCCCCC2)CCO1 ZINC000067821816 396034997 /nfs/dbraw/zinc/03/49/97/396034997.db2.gz NOLAOPGBQCKDSQ-CQSZACIVSA-N 1 0 311.426 0.792 50 0 DCAARO O=C(N[C@@H]1CN(Cc2ccncc2)C[C@H]1CO)c1cccnc1 ZINC000257197027 396036032 /nfs/dbraw/zinc/03/60/32/396036032.db2.gz ZHYAYOYRLOCQSA-JKSUJKDBSA-N 1 0 312.373 0.699 50 0 DCAARO C[C@H](CN1CCOCC1)[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000069161054 396071826 /nfs/dbraw/zinc/07/18/26/396071826.db2.gz WDLJDQFEIVQJCA-OCCSQVGLSA-N 1 0 308.378 0.759 50 0 DCAARO CCn1cc(S(=O)(=O)NC[C@H]2CC[N@H+](CC)C2)c(C)n1 ZINC000067935224 396039489 /nfs/dbraw/zinc/03/94/89/396039489.db2.gz YQDPIQFHGWHAMQ-GFCCVEGCSA-N 1 0 300.428 0.832 50 0 DCAARO C[C@H](Cn1ccnc1)[NH2+]CCn1[nH]c(=O)c2ccccc2c1=O ZINC000067954753 396040809 /nfs/dbraw/zinc/04/08/09/396040809.db2.gz SRDLPOBVVFWGMS-GFCCVEGCSA-N 1 0 313.361 0.977 50 0 DCAARO CC(=O)N1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000261819430 396069214 /nfs/dbraw/zinc/06/92/14/396069214.db2.gz SDJYXFRRKPRRCL-HRCADAONSA-N 1 0 301.390 0.808 50 0 DCAARO CNC(=O)c1[nH]nc2c1CN(CCn1cc(Cl)cn1)CC2 ZINC000252500858 396021747 /nfs/dbraw/zinc/02/17/47/396021747.db2.gz TWRACTHTXFVNFX-UHFFFAOYSA-N 1 0 308.773 0.678 50 0 DCAARO CCc1nc2n(n1)C[C@@H]([NH2+]CC(=O)Nc1cc(C)no1)CC2 ZINC000069652280 396085928 /nfs/dbraw/zinc/08/59/28/396085928.db2.gz LZPQSFNONQGPIU-JTQLQIEISA-N 1 0 304.354 0.680 50 0 DCAARO Cc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC000069700971 396086922 /nfs/dbraw/zinc/08/69/22/396086922.db2.gz WSLYLGAYAQFSMF-HNNXBMFYSA-N 1 0 316.405 0.944 50 0 DCAARO CCN1CCO[C@@H](C[NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000069706122 396087521 /nfs/dbraw/zinc/08/75/21/396087521.db2.gz QYQIKTMZMVCDBE-HOCLYGCPSA-N 1 0 312.385 0.876 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069814071 396091127 /nfs/dbraw/zinc/09/11/27/396091127.db2.gz RIADGQZZGDRQSU-ZDUSSCGKSA-N 1 0 315.443 0.272 50 0 DCAARO Cc1ccc(N2CCC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)nn1 ZINC000069921078 396094787 /nfs/dbraw/zinc/09/47/87/396094787.db2.gz PGIAMHBDLPXCMV-CQSZACIVSA-N 1 0 303.410 0.870 50 0 DCAARO C[C@@H]1C[NH+](CC2CCN(CCS(N)(=O)=O)CC2)C[C@@H](C)O1 ZINC000069951753 396096084 /nfs/dbraw/zinc/09/60/84/396096084.db2.gz UDJOUDSOYQXRQO-CHWSQXEVSA-N 1 0 319.471 0.096 50 0 DCAARO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCN2C(=O)CNC2=O)n1 ZINC000070041022 396098860 /nfs/dbraw/zinc/09/88/60/396098860.db2.gz VFHIKAVKHMFYSK-AWEZNQCLSA-N 1 0 319.409 0.906 50 0 DCAARO C[NH+](C)C1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 ZINC000071828404 396117143 /nfs/dbraw/zinc/11/71/43/396117143.db2.gz KGVFHBUGCAXWFJ-UHFFFAOYSA-N 1 0 300.366 0.829 50 0 DCAARO CC1(C)NC(=O)N(CC[N@@H+]2CCCC[C@@H]2Cn2cncn2)C1=O ZINC000071876337 396121219 /nfs/dbraw/zinc/12/12/19/396121219.db2.gz UOJOZQVKUQLFRO-GFCCVEGCSA-N 1 0 320.397 0.463 50 0 DCAARO CC1(C)NC(=O)N(CC[N@@H+]2CCCC[C@H]2Cn2cncn2)C1=O ZINC000071876338 396121775 /nfs/dbraw/zinc/12/17/75/396121775.db2.gz UOJOZQVKUQLFRO-LBPRGKRZSA-N 1 0 320.397 0.463 50 0 DCAARO O=S(=O)(CC[NH2+]C[C@@H]1CNc2ccnn2C1)c1ccccc1 ZINC000071888656 396123674 /nfs/dbraw/zinc/12/36/74/396123674.db2.gz TTXZXMNPSIQQPR-CYBMUJFWSA-N 1 0 320.418 0.988 50 0 DCAARO NC(=O)c1cnc(N2C[C@@H](O)[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000071922362 396125352 /nfs/dbraw/zinc/12/53/52/396125352.db2.gz MNMNEPSEBHAWAO-NWDGAFQWSA-N 1 0 310.785 0.479 50 0 DCAARO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C)c2)C1 ZINC000071920362 396125707 /nfs/dbraw/zinc/12/57/07/396125707.db2.gz ZMVXJITVWZGGBJ-AWEZNQCLSA-N 1 0 305.378 0.770 50 0 DCAARO Cc1nc2n(n1)C[C@H]([NH2+]CC(=O)N(C)Cc1ccco1)CC2 ZINC000072268028 396127817 /nfs/dbraw/zinc/12/78/17/396127817.db2.gz KECRCEWAGRGHBJ-GFCCVEGCSA-N 1 0 303.366 0.743 50 0 DCAARO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000069530670 396081832 /nfs/dbraw/zinc/08/18/32/396081832.db2.gz XIBDXAPXLQHMJH-ZDUSSCGKSA-N 1 0 300.366 0.876 50 0 DCAARO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(C(=O)NC)cc2)CC1 ZINC000075962486 396190778 /nfs/dbraw/zinc/19/07/78/396190778.db2.gz YMBBGXBTJAXDES-INIZCTEOSA-N 1 0 305.422 0.935 50 0 DCAARO Cc1cc([C@@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)[nH]n1 ZINC000078901152 396257589 /nfs/dbraw/zinc/25/75/89/396257589.db2.gz OHHRTOOWEGGPPQ-GFCCVEGCSA-N 1 0 317.393 0.495 50 0 DCAARO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000178991193 396217632 /nfs/dbraw/zinc/21/76/32/396217632.db2.gz QMNFYGGUXABROY-VXGBXAGGSA-N 1 0 322.409 0.307 50 0 DCAARO Cc1nn(CCNC(=O)c2cn(CC[NH3+])nn2)c(C)c1Cl ZINC000077340536 396219172 /nfs/dbraw/zinc/21/91/72/396219172.db2.gz BHBLNPWOWYXZFB-UHFFFAOYSA-N 1 0 311.777 0.134 50 0 DCAARO O[C@@]1(CNCCc2noc(-c3ccccc3)n2)C[NH2+]CCOC1 ZINC000077485850 396223851 /nfs/dbraw/zinc/22/38/51/396223851.db2.gz IVTYYEUAPRFNAA-INIZCTEOSA-N 1 0 318.377 0.220 50 0 DCAARO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1cnn(CC(F)F)c1 ZINC000193266378 396447765 /nfs/dbraw/zinc/44/77/65/396447765.db2.gz STPHOMFGOFKJTD-VIFPVBQESA-N 1 0 308.354 0.426 50 0 DCAARO CCS(=O)(=O)NC[C@@H](C)[NH2+]CCc1nc(C2CC2)no1 ZINC000584893181 396634846 /nfs/dbraw/zinc/63/48/46/396634846.db2.gz WEVLUKMTCWYMBJ-SECBINFHSA-N 1 0 302.400 0.407 50 0 DCAARO CN(C)C(=O)CN1CC[C@@H]([NH2+]CC2(CO)CCC2)CCC1=O ZINC000584901093 396636522 /nfs/dbraw/zinc/63/65/22/396636522.db2.gz XVLBBUQAKPBNRX-ZDUSSCGKSA-N 1 0 311.426 0.208 50 0 DCAARO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1c(F)cccc1Cl ZINC000630095431 396939836 /nfs/dbraw/zinc/93/98/36/396939836.db2.gz LPCUJOAGMFXPIM-SECBINFHSA-N 1 0 322.789 0.887 50 0 DCAARO CCNc1nc(OCC(F)(F)F)nc(N2CC[NH2+]CC2)n1 ZINC000004603892 415129877 /nfs/dbraw/zinc/12/98/77/415129877.db2.gz DKPJWDUDMQNRHA-UHFFFAOYSA-N 1 0 306.292 0.654 50 0 DCAARO NC(=O)C1CC[NH+](CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000007435779 415139548 /nfs/dbraw/zinc/13/95/48/415139548.db2.gz CNTUNOUSSDFZAX-UHFFFAOYSA-N 1 0 307.369 0.682 50 0 DCAARO COc1ccc(S(=O)(=O)N[C@H]2C[NH2+]C[C@@H]2OC)cc1F ZINC000036265069 415190764 /nfs/dbraw/zinc/19/07/64/415190764.db2.gz QSDBLOJBUOADIG-JQWIXIFHSA-N 1 0 304.343 0.099 50 0 DCAARO COc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)nc(OC)n1 ZINC000067460260 415374519 /nfs/dbraw/zinc/37/45/19/415374519.db2.gz CXGDGQBEMAZWOD-LLVKDONJSA-N 1 0 308.382 0.956 50 0 DCAARO [NH3+]Cc1cc(NC[C@H](c2ccccn2)N2CCOCC2)ncn1 ZINC000067675047 415378413 /nfs/dbraw/zinc/37/84/13/415378413.db2.gz CGPTUJBJWWHPAX-OAHLLOKOSA-N 1 0 314.393 0.816 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)NC(=O)CC)nn2)C[NH2+]1 ZINC000067724662 415385130 /nfs/dbraw/zinc/38/51/30/415385130.db2.gz KHQTWURSENJMEJ-MNOVXSKESA-N 1 0 322.413 0.079 50 0 DCAARO CCCC[N@H+](CCO)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000075572677 415447861 /nfs/dbraw/zinc/44/78/61/415447861.db2.gz KREMNMJVXDBJIK-UHFFFAOYSA-N 1 0 311.426 0.162 50 0 DCAARO Cc1c[nH]c(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000095363294 415551760 /nfs/dbraw/zinc/55/17/60/415551760.db2.gz VQTCCHMUMLAPPA-GFCCVEGCSA-N 1 0 307.398 0.087 50 0 DCAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 ZINC000095356276 415553719 /nfs/dbraw/zinc/55/37/19/415553719.db2.gz BWNWERACXQWRNV-ZIAGYGMSSA-N 1 0 319.405 0.777 50 0 DCAARO COCCC[NH+]1CCC(Nc2cncc(OCCO)n2)CC1 ZINC000095941839 415562230 /nfs/dbraw/zinc/56/22/30/415562230.db2.gz PHNNONZZDKYXRV-UHFFFAOYSA-N 1 0 310.398 0.761 50 0 DCAARO Cc1n[nH]cc1C[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000097159238 415584820 /nfs/dbraw/zinc/58/48/20/415584820.db2.gz UJZOWWJEUDAXNQ-UHFFFAOYSA-N 1 0 301.398 0.420 50 0 DCAARO COC[C@H](O)C[N@@H+]1CC[C@H](N(C)Cc2nnc(C3CC3)n2C)C1 ZINC000107355060 415669563 /nfs/dbraw/zinc/66/95/63/415669563.db2.gz QGQQKOJFKBLVRD-UONOGXRCSA-N 1 0 323.441 0.206 50 0 DCAARO CCc1nc(CN(C)[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)no1 ZINC000108087702 415674986 /nfs/dbraw/zinc/67/49/86/415674986.db2.gz HFMVXBUTIGHDGH-NEPJUHHUSA-N 1 0 309.414 0.615 50 0 DCAARO COCCOc1cccc(NC(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)c1 ZINC000299764316 416066166 /nfs/dbraw/zinc/06/61/66/416066166.db2.gz ZLVLIQJQHFALND-KGLIPLIRSA-N 1 0 323.393 0.898 50 0 DCAARO COCc1ccc(C(=O)NCc2nnc3n2CC[NH2+]CC3)o1 ZINC000299778673 416067722 /nfs/dbraw/zinc/06/77/22/416067722.db2.gz NBDDCNIYFKUACZ-UHFFFAOYSA-N 1 0 305.338 0.093 50 0 DCAARO CC(C)[NH+]1CCC2(CC[C@@H](CNC(=O)c3nnc[nH]3)O2)CC1 ZINC000299793966 416070302 /nfs/dbraw/zinc/07/03/02/416070302.db2.gz IOEFKBZHUPPWLB-LBPRGKRZSA-N 1 0 307.398 0.957 50 0 DCAARO O=C(CCCn1cncn1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299800166 416070486 /nfs/dbraw/zinc/07/04/86/416070486.db2.gz WSJFCIXXMARBLQ-HNNXBMFYSA-N 1 0 321.425 0.772 50 0 DCAARO Cc1cc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)on1 ZINC000188110707 416262601 /nfs/dbraw/zinc/26/26/01/416262601.db2.gz ABBBSVBSOGFYSQ-LBPRGKRZSA-N 1 0 310.398 0.970 50 0 DCAARO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000195554223 416326816 /nfs/dbraw/zinc/32/68/16/416326816.db2.gz ADFRPVMCGVUQIV-DLBZAZTESA-N 1 0 316.449 0.925 50 0 DCAARO Cc1cncnc1C1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000216166124 416327583 /nfs/dbraw/zinc/32/75/83/416327583.db2.gz ADPXGRCVJUCSEP-OAHLLOKOSA-N 1 0 318.421 0.948 50 0 DCAARO CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000237156706 416328369 /nfs/dbraw/zinc/32/83/69/416328369.db2.gz UYUODYHWZOZVHG-GJZGRUSLSA-N 1 0 301.390 0.686 50 0 DCAARO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000238057157 416329832 /nfs/dbraw/zinc/32/98/32/416329832.db2.gz GIRKANJYKSCDEZ-SMDDNHRTSA-N 1 0 323.418 0.378 50 0 DCAARO OC[C@@]1([NH2+]CCN2CCCOCC2)CCOc2ccccc21 ZINC000361375430 416432700 /nfs/dbraw/zinc/43/27/00/416432700.db2.gz DYZLCMHMZFXRCO-KRWDZBQOSA-N 1 0 306.406 0.969 50 0 DCAARO CCCOc1cncc(NC(=O)[C@@]2([NH3+])CCN(C(C)=O)C2)c1 ZINC000638584668 417496616 /nfs/dbraw/zinc/49/66/16/417496616.db2.gz XEIFWWGFKFXVLY-OAHLLOKOSA-N 1 0 306.366 0.759 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000237120899 277277846 /nfs/dbraw/zinc/27/78/46/277277846.db2.gz KKKCEIICDWEAMT-VIFPVBQESA-N 1 0 314.183 0.961 50 0 DCAARO C[C@@H]1CCCN(S(=O)(=O)c2ncn(C)c2Cl)[C@H]1C[NH3+] ZINC000328599937 278484514 /nfs/dbraw/zinc/48/45/14/278484514.db2.gz UQUCBPAWCDQQJA-BDAKNGLRSA-N 1 0 306.819 0.821 50 0 DCAARO CC[NH+](CC)CCNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000044868917 279107164 /nfs/dbraw/zinc/10/71/64/279107164.db2.gz ZGGCOJBVHXXZIR-GFCCVEGCSA-N 1 0 305.444 0.259 50 0 DCAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000299739805 289779863 /nfs/dbraw/zinc/77/98/63/289779863.db2.gz RNCIGAGBPHZCAB-YNEHKIRRSA-N 1 0 317.455 0.386 50 0 DCAARO Cn1cc(CN(C[C@@]2(O)C[NH2+]CCOC2)C2CCCCC2)cn1 ZINC000077489502 294233436 /nfs/dbraw/zinc/23/34/36/294233436.db2.gz KSWLQCMYVNYMBU-KRWDZBQOSA-N 1 0 322.453 0.906 50 0 DCAARO O=C(NCCc1csc(-c2ncccn2)n1)[C@@H]1C=CC[NH2+]1 ZINC000534655233 334313662 /nfs/dbraw/zinc/31/36/62/334313662.db2.gz AQGQLQWKQMRRQZ-NSHDSACASA-N 1 0 301.375 0.787 50 0 DCAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@H](O)Cn1cccn1)CC2 ZINC000071877602 337366917 /nfs/dbraw/zinc/36/69/17/337366917.db2.gz HAZHRLVMZBKMDT-OLZOCXBDSA-N 1 0 304.398 0.564 50 0 DCAARO C[C@H]1CN(C(=O)CCOc2ccc(C(N)=O)cc2)C[C@H](C)[NH2+]1 ZINC000153576083 533826463 /nfs/dbraw/zinc/82/64/63/533826463.db2.gz JYSZINAMSBJSRV-RYUDHWBXSA-N 1 0 305.378 0.763 50 0 DCAARO O=C(NCCOc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277501218 534380357 /nfs/dbraw/zinc/38/03/57/534380357.db2.gz JXWZQKCAMNFRKV-CMPLNLGQSA-N 1 0 318.295 0.923 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)C[C@@H]2C)CC1 ZINC000084685854 545702395 /nfs/dbraw/zinc/70/23/95/545702395.db2.gz IOTZDPAQXYFIAN-SJXGUFTOSA-N 1 0 323.437 0.565 50 0 DCAARO COC[C@@H](C)NC(=O)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000670447677 547095318 /nfs/dbraw/zinc/09/53/18/547095318.db2.gz AYKRQCLPUJVAKV-CYBMUJFWSA-N 1 0 311.426 0.472 50 0 DCAARO O=C(NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2)[C@H]1CC[NH2+]1 ZINC000670454194 547097365 /nfs/dbraw/zinc/09/73/65/547097365.db2.gz ADLJVRZFJKGVAQ-MWENRILCSA-N 1 0 302.382 0.199 50 0 DCAARO C[NH+](C)[C@@H]1CCN(CC(=O)N2CCC(c3nnc[nH]3)CC2)C1 ZINC000221193552 563723072 /nfs/dbraw/zinc/72/30/72/563723072.db2.gz YGPJIWCKQGMRML-CYBMUJFWSA-N 1 0 306.414 0.147 50 0 DCAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn(Cc2ccccc2)c1 ZINC000170051415 563903206 /nfs/dbraw/zinc/90/32/06/563903206.db2.gz RPPCHEJYIANBDN-GJZGRUSLSA-N 1 0 300.362 0.648 50 0 DCAARO O=C(N[C@H]1C[NH2+]C[C@H]1O)c1c[nH]nc1-c1ccccc1Cl ZINC000888096859 661175376 /nfs/dbraw/zinc/17/53/76/661175376.db2.gz UKLXKQJSXLHVIY-NWDGAFQWSA-N 1 0 306.753 0.793 50 0 DCAARO COCCCn1cnnc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C1 ZINC000426700117 661695730 /nfs/dbraw/zinc/69/57/30/661695730.db2.gz WXLMPYNSEILEKU-GFCCVEGCSA-N 1 0 310.402 0.160 50 0 DCAARO Nc1nc2c(c(N3CC[C@@]4(O)CCCC[C@H]4C3)n1)CC[NH2+]CC2 ZINC000072456677 666311238 /nfs/dbraw/zinc/31/12/38/666311238.db2.gz FWVCNUMURSHYJY-SJCJKPOMSA-N 1 0 317.437 0.878 50 0 DCAARO COc1cccc(-c2n[nH]c3c2C[N@H+](C[C@@H](O)CO)CC3)c1 ZINC000012315630 666439931 /nfs/dbraw/zinc/43/99/31/666439931.db2.gz KDERRSRWCUSVKN-GFCCVEGCSA-N 1 0 303.362 0.797 50 0 DCAARO CCOC(=O)/C=C/C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000857707340 670940021 /nfs/dbraw/zinc/94/00/21/670940021.db2.gz JVVXOIXLFGQMNM-ZVAQRADQSA-N 1 0 306.366 0.401 50 0 DCAARO CC[C@H](NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)c1nc(C)c[nH]1 ZINC000952963587 685597910 /nfs/dbraw/zinc/59/79/10/685597910.db2.gz JCWDBCSCZKJVMX-RYUDHWBXSA-N 1 0 307.398 0.483 50 0 DCAARO CCCn1ncnc1[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952967250 685599206 /nfs/dbraw/zinc/59/92/06/685599206.db2.gz IWXOYZWLTPVCNG-RYUDHWBXSA-N 1 0 322.413 0.063 50 0 DCAARO O=C(CCc1cn[nH]c1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000952974180 685600362 /nfs/dbraw/zinc/60/03/62/685600362.db2.gz LHYFNXDTJWFVEA-OAHLLOKOSA-N 1 0 306.410 0.648 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000952976643 685601201 /nfs/dbraw/zinc/60/12/01/685601201.db2.gz LVLPQHWSYKKEHE-LXTVHRRPSA-N 1 0 305.422 0.902 50 0 DCAARO [NH3+][C@H]1CN[C@H](C(=O)N(Cc2cccnc2)Cc2cccnc2)C1 ZINC000067852129 685070514 /nfs/dbraw/zinc/07/05/14/685070514.db2.gz JSJHERLMCLYNQY-CVEARBPZSA-N 1 0 311.389 0.695 50 0 DCAARO O=C([C@@H]1C[NH2+]CCO1)N1CCC(OCc2cccnc2)CC1 ZINC000091325920 685104540 /nfs/dbraw/zinc/10/45/40/685104540.db2.gz RLBLBQBDHSTGHP-HNNXBMFYSA-N 1 0 305.378 0.578 50 0 DCAARO C[C@@]1(O)CCN(C(=O)CC[NH+]2Cc3ccccc3C2)C[C@@H]1O ZINC000096130707 685111705 /nfs/dbraw/zinc/11/17/05/685111705.db2.gz UXRPPNZLWFIJGZ-DOTOQJQBSA-N 1 0 304.390 0.737 50 0 DCAARO Cc1[nH+]c(N2CCCC2)nc(NC[C@@H]2CN(C)C(=O)CO2)c1C ZINC001704335687 1179978104 /nfs/dbraw/zinc/97/81/04/1179978104.db2.gz QLGVABBQCNNRRW-CYBMUJFWSA-N 1 0 319.409 0.963 50 0 DCAARO C[N@@H+]1C[C@H]2COC[C@@H]1CN(Cc1ccccc1OCCO)C2 ZINC001704340202 1179979159 /nfs/dbraw/zinc/97/91/59/1179979159.db2.gz PVRTZIOKBFYUBU-ZBFHGGJFSA-N 1 0 306.406 0.820 50 0 DCAARO Cc1cc(=O)n(CC[N@@H+](C)[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3C2)c(=O)[nH]1 ZINC001704352671 1179983255 /nfs/dbraw/zinc/98/32/55/1179983255.db2.gz GZMWBORVUNUMJL-KPWCQOOUSA-N 1 0 307.394 0.739 50 0 DCAARO COCCC1([NH+](C)C)CCN(C(=O)NCC(=O)OC)CC1 ZINC000581805178 747973014 /nfs/dbraw/zinc/97/30/14/747973014.db2.gz UUFGYBMUHKPSFU-UHFFFAOYSA-N 1 0 301.387 0.302 50 0 DCAARO C[C@@H](C[NH+]1CCCCC1)c1nc(CC(N)=O)nn1CC(C)(C)O ZINC000822276774 758189936 /nfs/dbraw/zinc/18/99/36/758189936.db2.gz GTGYELCBPJUPMK-LBPRGKRZSA-N 1 0 323.441 0.666 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC000826838683 758848045 /nfs/dbraw/zinc/84/80/45/758848045.db2.gz DPPWCRNUWQXFEY-SNVBAGLBSA-N 1 0 321.343 0.985 50 0 DCAARO CC(C)c1nccn1CCCNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000828116139 758924354 /nfs/dbraw/zinc/92/43/54/758924354.db2.gz YUTSHUCXPRTUMN-ZDUSSCGKSA-N 1 0 304.398 0.806 50 0 DCAARO C[C@@H]([NH2+]CC1(O)CN(C(=O)OC(C)(C)C)C1)[C@H]1CCOC1 ZINC000585117073 766285826 /nfs/dbraw/zinc/28/58/26/766285826.db2.gz QKILWMWRLMYYOT-NEPJUHHUSA-N 1 0 300.399 0.983 50 0 DCAARO CSc1nc(N)cc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC001529134323 1014502323 /nfs/dbraw/zinc/50/23/23/1014502323.db2.gz VYVZVCAKUSPUGP-JTQLQIEISA-N 1 0 324.454 0.780 50 0 DCAARO CSc1nc(N)cc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC001529134324 1014503250 /nfs/dbraw/zinc/50/32/50/1014503250.db2.gz VYVZVCAKUSPUGP-SNVBAGLBSA-N 1 0 324.454 0.780 50 0 DCAARO C[C@@H](C[NH+]1CCCCC1)C(=O)N1CCCN(C(=O)CO)CC1 ZINC001529186168 1014516344 /nfs/dbraw/zinc/51/63/44/1014516344.db2.gz WAUWTEBVRAFAEL-AWEZNQCLSA-N 1 0 311.426 0.162 50 0 DCAARO CCC[N@@H+]1CCCN(c2nccc(N3CC[C@H](O)C3)n2)CC1 ZINC001506397437 1017252634 /nfs/dbraw/zinc/25/26/34/1017252634.db2.gz TZHUIUMCKKEZQT-AWEZNQCLSA-N 1 0 305.426 0.970 50 0 DCAARO C[C@@H](CN(C)C(=O)CCNS(C)(=O)=O)C[NH+]1CCCC1 ZINC001506405769 1017256011 /nfs/dbraw/zinc/25/60/11/1017256011.db2.gz NRQHMXABBPTWKK-LBPRGKRZSA-N 1 0 305.444 0.116 50 0 DCAARO Cc1nn(C)c2nc(NCC[N@@H+]3CCC[C@H](C(N)=O)C3)sc12 ZINC000095507382 185375434 /nfs/dbraw/zinc/37/54/34/185375434.db2.gz XTZZQYPYLMIWTL-JTQLQIEISA-N 1 0 322.438 0.947 50 0 DCAARO Cn1ccnc1[C@@H]1CCCN(C(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000095506263 185375508 /nfs/dbraw/zinc/37/55/08/185375508.db2.gz LPNAIAPRFAEKMB-OAHLLOKOSA-N 1 0 319.453 0.764 50 0 DCAARO COc1ccc2n[nH]c(C[N@@H+]3CC[C@]4(CC(=O)NC4=O)C3)c2c1 ZINC000082097008 192355280 /nfs/dbraw/zinc/35/52/80/192355280.db2.gz PFCDKWYZNVUPIU-INIZCTEOSA-N 1 0 314.345 0.810 50 0 DCAARO [NH3+][C@@H]1CCN(CCC(=O)NCc2ccccc2Cl)C[C@H]1O ZINC000082107601 192356561 /nfs/dbraw/zinc/35/65/61/192356561.db2.gz UEDSBHJNJODIPA-ZIAGYGMSSA-N 1 0 311.813 0.740 50 0 DCAARO COCCC1(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CCC1 ZINC000083881667 192388967 /nfs/dbraw/zinc/38/89/67/192388967.db2.gz PONKMZMAPMYMKW-CQSZACIVSA-N 1 0 312.458 0.738 50 0 DCAARO Cc1nc(CCNC(=O)C[C@H]2COCC[NH2+]2)nc2c1CCC2 ZINC000072125376 191041349 /nfs/dbraw/zinc/04/13/49/191041349.db2.gz OOEYNPXOYKNLRN-LBPRGKRZSA-N 1 0 304.394 0.311 50 0 DCAARO CN(Cc1nc(-c2cccnc2)no1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000072127364 191043751 /nfs/dbraw/zinc/04/37/51/191043751.db2.gz CKXYESHQFBGKSR-GFCCVEGCSA-N 1 0 317.349 0.469 50 0 DCAARO Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072152201 191058246 /nfs/dbraw/zinc/05/82/46/191058246.db2.gz NRKNOFQCGONXIE-MRXNPFEDSA-N 1 0 321.425 0.133 50 0 DCAARO [NH3+]CC[C@@H]1CN(c2cnn(CCC(F)(F)F)c(=O)c2)CCO1 ZINC000072163913 191063023 /nfs/dbraw/zinc/06/30/23/191063023.db2.gz RGOGTDPRRQFMTJ-LLVKDONJSA-N 1 0 320.315 0.750 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)NCc1cc(-c2ccccn2)no1 ZINC000072168373 191066787 /nfs/dbraw/zinc/06/67/87/191066787.db2.gz DNEGBAJFXAWVNP-NSHDSACASA-N 1 0 302.334 0.731 50 0 DCAARO CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(c1nccc(OC)n1)C2 ZINC000072159370 191062091 /nfs/dbraw/zinc/06/20/91/191062091.db2.gz VDQBIBPPTNBWPP-WBMJQRKESA-N 1 0 320.393 0.997 50 0 DCAARO COc1ccccc1CCNC(=O)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000072267981 191091952 /nfs/dbraw/zinc/09/19/52/191091952.db2.gz OQGXTEZRWVXLPA-HNNXBMFYSA-N 1 0 321.421 0.274 50 0 DCAARO Cn1c(CN2CCC3(CNC(=O)O3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000253378395 186302608 /nfs/dbraw/zinc/30/26/08/186302608.db2.gz CMOISRYHQBRKPZ-PHIMTYICSA-N 1 0 320.397 0.094 50 0 DCAARO c1cn(C[C@H]2COCCO2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072426103 191159541 /nfs/dbraw/zinc/15/95/41/191159541.db2.gz FMJNFYTYUZVAKK-ZDUSSCGKSA-N 1 0 303.366 0.655 50 0 DCAARO O[C@H](Cn1ccnc1-c1cc2n(n1)CC[NH2+]C2)c1ccccn1 ZINC000072433645 191164864 /nfs/dbraw/zinc/16/48/64/191164864.db2.gz ACQCBXNAOPBSLN-OAHLLOKOSA-N 1 0 310.361 0.978 50 0 DCAARO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)cn1 ZINC000072478010 191179065 /nfs/dbraw/zinc/17/90/65/191179065.db2.gz MGBSLFWFGBQCNO-LSDHHAIUSA-N 1 0 306.410 0.615 50 0 DCAARO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000072632816 191206374 /nfs/dbraw/zinc/20/63/74/191206374.db2.gz CYWTXWYVHJXHPU-CQSZACIVSA-N 1 0 310.419 0.917 50 0 DCAARO C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)Oc1ccccc1 ZINC000073060660 191274486 /nfs/dbraw/zinc/27/44/86/191274486.db2.gz VGJGUROWVVBEIT-GJZGRUSLSA-N 1 0 320.437 0.999 50 0 DCAARO CC(C)(C)OC(=O)NCC[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000004276646 181091262 /nfs/dbraw/zinc/09/12/62/181091262.db2.gz BVXKBSLSSYVPMW-LLVKDONJSA-N 1 0 301.387 0.084 50 0 DCAARO Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cn(CC[NH3+])nn2)c1 ZINC000077472243 191720874 /nfs/dbraw/zinc/72/08/74/191720874.db2.gz JRGXHAHDJJQCTO-GFCCVEGCSA-N 1 0 302.382 0.643 50 0 DCAARO Cc1ccccc1[C@@H](CC(=O)N1CC[NH2+][C@@H](C)C1)NC(N)=O ZINC000237608039 202303036 /nfs/dbraw/zinc/30/30/36/202303036.db2.gz LASUMRJJNFQUQW-GXTWGEPZSA-N 1 0 304.394 0.915 50 0 DCAARO Cn1c(CCNC(=O)[C@H]2C[NH2+]CCO2)nc2c1cccc2F ZINC000188198048 200207436 /nfs/dbraw/zinc/20/74/36/200207436.db2.gz ZPLFPADECZBFON-GFCCVEGCSA-N 1 0 306.341 0.360 50 0 DCAARO C[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000237628463 202310393 /nfs/dbraw/zinc/31/03/93/202310393.db2.gz ZMFRRAJENAZYGT-QWRGUYRKSA-N 1 0 314.382 0.808 50 0 DCAARO Cc1nnnn1CC(=O)N[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1C(C)C ZINC000091604592 193078828 /nfs/dbraw/zinc/07/88/28/193078828.db2.gz FUCZBFLAZVNHAV-CABCVRRESA-N 1 0 320.441 0.854 50 0 DCAARO OC[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccncc2)C1 ZINC000091680018 193090681 /nfs/dbraw/zinc/09/06/81/193090681.db2.gz JYESZTOFJVDRGV-IAGOWNOFSA-N 1 0 305.422 0.844 50 0 DCAARO CCC[C@H]1CN(S(=O)(=O)N2CCC(COC)CC2)C[C@@H]1[NH3+] ZINC000091745888 193099967 /nfs/dbraw/zinc/09/99/67/193099967.db2.gz YAYYHQQECHHWJF-KBPBESRZSA-N 1 0 319.471 0.649 50 0 DCAARO C[C@H](c1nn[nH]n1)n1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091935049 193129134 /nfs/dbraw/zinc/12/91/34/193129134.db2.gz KCIFQXRZJJYXDW-SECBINFHSA-N 1 0 314.357 0.189 50 0 DCAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1)c1ccnnc1 ZINC000222298626 284265585 /nfs/dbraw/zinc/26/55/85/284265585.db2.gz ZNLRFEQZUBHPPU-LXTVHRRPSA-N 1 0 302.378 0.848 50 0 DCAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCC(N)=O ZINC000019872178 182159065 /nfs/dbraw/zinc/15/90/65/182159065.db2.gz CNNPPWGYSWRFDM-UHFFFAOYSA-N 1 0 315.801 0.864 50 0 DCAARO COc1ccccc1OCC(=O)NCCCN1CC[NH+](C)CC1 ZINC000022933792 182341667 /nfs/dbraw/zinc/34/16/67/182341667.db2.gz JULMTUSBJMWPMT-UHFFFAOYSA-N 1 0 321.421 0.828 50 0 DCAARO Cn1c2ncn(CC[C@H]3CCCC[N@@H+]3C)c2c(=O)n(C)c1=O ZINC000040466708 183072805 /nfs/dbraw/zinc/07/28/05/183072805.db2.gz VSCVNZSTVXBDLT-LLVKDONJSA-N 1 0 305.382 0.308 50 0 DCAARO Cn1cc(C[NH2+]CCCNS(C)(=O)=O)c(-c2cccnc2)n1 ZINC000051187373 183819407 /nfs/dbraw/zinc/81/94/07/183819407.db2.gz XBOIOICBZVHGOW-UHFFFAOYSA-N 1 0 323.422 0.511 50 0 DCAARO Cn1nccc1C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000058326287 184105750 /nfs/dbraw/zinc/10/57/50/184105750.db2.gz QXQYRCMMKNXGTB-UHFFFAOYSA-N 1 0 306.410 0.848 50 0 DCAARO CCOC(=O)N1CCC([NH2+]CCS(=O)(=O)N(C)C)CC1 ZINC000065435692 184344807 /nfs/dbraw/zinc/34/48/07/184344807.db2.gz PSBUZYUQYGTORI-UHFFFAOYSA-N 1 0 307.416 0.088 50 0 DCAARO O=C(Cn1cnnn1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000065453634 184346498 /nfs/dbraw/zinc/34/64/98/184346498.db2.gz DTFVJWBMVFSGCQ-UHFFFAOYSA-N 1 0 306.414 0.978 50 0 DCAARO C[NH+](C)C(C)(C)CNC(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000065456812 184347473 /nfs/dbraw/zinc/34/74/73/184347473.db2.gz TZQDCMQXBRPBBY-UHFFFAOYSA-N 1 0 320.459 0.050 50 0 DCAARO Cc1oc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1S(N)(=O)=O ZINC000237713396 257238654 /nfs/dbraw/zinc/23/86/54/257238654.db2.gz HUOSDJBTZYAZHO-WCBMZHEXSA-N 1 0 315.395 0.435 50 0 DCAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000426685462 257244441 /nfs/dbraw/zinc/24/44/41/257244441.db2.gz VPJNXFOHYOTTFM-BETUJISGSA-N 1 0 306.414 0.716 50 0 DCAARO Cc1cccnc1CN1CCN(C(=O)Cn2ccnn2)CC1 ZINC000426589077 257245806 /nfs/dbraw/zinc/24/58/06/257245806.db2.gz QVWFDHDJTNACGS-UHFFFAOYSA-N 1 0 300.366 0.326 50 0 DCAARO C[NH2+]Cc1nnc(SCc2nncn2C)n1C[C@@H]1CCCO1 ZINC000426545239 257246759 /nfs/dbraw/zinc/24/67/59/257246759.db2.gz XUTHKNAZXNQVQB-JTQLQIEISA-N 1 0 323.426 0.597 50 0 DCAARO COc1ncc(C(=O)NCC[C@H](C)[NH+]2CCN(C)CC2)cn1 ZINC000426477705 257249685 /nfs/dbraw/zinc/24/96/85/257249685.db2.gz JBJZQVRLRAAEBL-LBPRGKRZSA-N 1 0 307.398 0.241 50 0 DCAARO Cc1cnc(CNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)cn1 ZINC000426380342 257252631 /nfs/dbraw/zinc/25/26/31/257252631.db2.gz HHRZKWXVLLPBAN-CYBMUJFWSA-N 1 0 314.393 0.765 50 0 DCAARO OCCC[N@@H+]1CCN(CCOCc2ccccc2)C[C@H](O)C1 ZINC000225318378 257260452 /nfs/dbraw/zinc/26/04/52/257260452.db2.gz JNERLHXANKXQAB-QGZVFWFLSA-N 1 0 308.422 0.564 50 0 DCAARO NC(=O)c1c(N)[n+](=O)c2cc(N3CCCC3)c(F)cc2n1O ZINC000334157423 257261671 /nfs/dbraw/zinc/26/16/71/257261671.db2.gz GHOQTUDXWVXFBV-UHFFFAOYSA-O 1 0 308.293 0.998 50 0 DCAARO Cc1noc(-c2ccc(N3CC[C@@](O)(C[NH+](C)C)C3)nc2)n1 ZINC000072408498 257270954 /nfs/dbraw/zinc/27/09/54/257270954.db2.gz HKLNTXUQQDTQRO-OAHLLOKOSA-N 1 0 303.366 0.943 50 0 DCAARO Cn1c(N)c(C(=O)C[N@H+](C)C2CCCCC2)c(=O)n(C)c1=O ZINC000014189085 395689351 /nfs/dbraw/zinc/68/93/51/395689351.db2.gz SCXKRBBGSFFIPG-UHFFFAOYSA-N 1 0 308.382 0.113 50 0 DCAARO CCCCn1c(NCC[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000001846565 395681219 /nfs/dbraw/zinc/68/12/19/395681219.db2.gz XEFMMWPTSSNCKI-UHFFFAOYSA-N 1 0 308.386 0.197 50 0 DCAARO COC(=O)CNC(=O)C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000032928764 395714875 /nfs/dbraw/zinc/71/48/75/395714875.db2.gz URSBOGCHQSIGRR-UHFFFAOYSA-N 1 0 312.341 0.816 50 0 DCAARO C[NH+](C)CCNC(=O)c1[nH]cnc1C(=O)NC1CCCCC1 ZINC000033003794 395715528 /nfs/dbraw/zinc/71/55/28/395715528.db2.gz DTJUTURHHSIKTD-UHFFFAOYSA-N 1 0 307.398 0.764 50 0 DCAARO C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCN1c1nccs1 ZINC000089939422 395717321 /nfs/dbraw/zinc/71/73/21/395717321.db2.gz RYNPKSKGADQNJQ-OLZOCXBDSA-N 1 0 307.423 0.911 50 0 DCAARO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000036286155 395722839 /nfs/dbraw/zinc/72/28/39/395722839.db2.gz JPDUYEYWONCPTD-UHFFFAOYSA-N 1 0 316.379 0.713 50 0 DCAARO Cc1noc(CCCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000084286671 395697427 /nfs/dbraw/zinc/69/74/27/395697427.db2.gz JIIUNZJPVDXSLH-ZIAGYGMSSA-N 1 0 322.409 0.758 50 0 DCAARO COCc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000096153398 395746667 /nfs/dbraw/zinc/74/66/67/395746667.db2.gz HOXRFTATDLEINS-NSHDSACASA-N 1 0 309.366 0.353 50 0 DCAARO O=S(=O)(c1ccccc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000096099698 395744518 /nfs/dbraw/zinc/74/45/18/395744518.db2.gz XCDKHZZZWWPCJE-AWEZNQCLSA-N 1 0 310.419 0.906 50 0 DCAARO O=C(C1CC1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000096121343 395745586 /nfs/dbraw/zinc/74/55/86/395745586.db2.gz ZPPJHDUCSQOBQM-UHFFFAOYSA-N 1 0 317.393 0.372 50 0 DCAARO Cc1n[nH]c(C)c1CCC(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000096133788 395745644 /nfs/dbraw/zinc/74/56/44/395745644.db2.gz HSNOOCSAXMNXSC-AWEZNQCLSA-N 1 0 308.426 0.780 50 0 DCAARO CCS(=O)(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000096427900 395753502 /nfs/dbraw/zinc/75/35/02/395753502.db2.gz HWNOXSXCVNDPKV-OAHLLOKOSA-N 1 0 311.451 0.914 50 0 DCAARO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000097033306 395755126 /nfs/dbraw/zinc/75/51/26/395755126.db2.gz OYJQTXBXHBTBMB-STQMWFEESA-N 1 0 302.440 0.991 50 0 DCAARO CC(CO)(CO)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000097373268 395757366 /nfs/dbraw/zinc/75/73/66/395757366.db2.gz BHBQKWSZBAXXRW-OAHLLOKOSA-N 1 0 306.406 0.758 50 0 DCAARO Cc1nc(N(C)C)ncc1C(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000097437025 395757412 /nfs/dbraw/zinc/75/74/12/395757412.db2.gz KHULDBYYCBDPKD-ZDUSSCGKSA-N 1 0 321.425 0.285 50 0 DCAARO CC(C)c1ccc(C(=O)NCCCN2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000097413253 395757509 /nfs/dbraw/zinc/75/75/09/395757509.db2.gz ZVGKIHXNPADEFH-UHFFFAOYSA-N 1 0 320.437 0.866 50 0 DCAARO CN1CCN(C(=O)CCc2ccncc2)CC12CC[NH2+]CC2 ZINC000097797487 395761034 /nfs/dbraw/zinc/76/10/34/395761034.db2.gz QOJJQOZVSOULGX-UHFFFAOYSA-N 1 0 302.422 0.910 50 0 DCAARO CC[N@@H+]1CCN(Cc2ccc(OCC(N)=O)cc2)C[C@H](O)C1 ZINC000097773055 395761074 /nfs/dbraw/zinc/76/10/74/395761074.db2.gz UATKSVIOIMTXCE-CQSZACIVSA-N 1 0 307.394 0.049 50 0 DCAARO C[NH+](C)C[C@H]1CN(C(=O)c2cnccn2)CC12CCOCC2 ZINC000097942773 395761362 /nfs/dbraw/zinc/76/13/62/395761362.db2.gz ZUDITMDBDXMTHT-ZDUSSCGKSA-N 1 0 304.394 0.907 50 0 DCAARO CCOc1ccc2nc(C(=O)NCC[NH+]3CCCC3)cn2n1 ZINC000097938877 395761411 /nfs/dbraw/zinc/76/14/11/395761411.db2.gz SLRMRGFOZCGLGB-UHFFFAOYSA-N 1 0 303.366 0.954 50 0 DCAARO CCCC[NH+]1CCC(NC(=O)C2(S(C)(=O)=O)CC2)CC1 ZINC000225401879 395859031 /nfs/dbraw/zinc/85/90/31/395859031.db2.gz JNMRDYWQMLJZEF-UHFFFAOYSA-N 1 0 302.440 0.944 50 0 DCAARO C[C@@H]1C[N@H+](C)CCCN1C(=O)CSc1nnc(N)s1 ZINC000219038972 395843880 /nfs/dbraw/zinc/84/38/80/395843880.db2.gz RZLTVMABQZYJDK-MRVPVSSYSA-N 1 0 301.441 0.765 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)CN(C)Cc1ccccn1 ZINC000219106729 395844603 /nfs/dbraw/zinc/84/46/03/395844603.db2.gz OGIKBQVTQVGCBH-GJZGRUSLSA-N 1 0 306.410 0.349 50 0 DCAARO CN1CC[NH+](CCC(=O)N2CCC[C@H](Cn3ccnc3)C2)CC1 ZINC000220465750 395848944 /nfs/dbraw/zinc/84/89/44/395848944.db2.gz AFECITHLZNDHPH-MRXNPFEDSA-N 1 0 319.453 0.759 50 0 DCAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2 ZINC000237407739 395912163 /nfs/dbraw/zinc/91/21/63/395912163.db2.gz FNUMAPYUXRTKOO-STQMWFEESA-N 1 0 306.362 0.311 50 0 DCAARO Cc1cccc(=O)n1CCCNC(=O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000244884283 395926148 /nfs/dbraw/zinc/92/61/48/395926148.db2.gz YIYNZMXCDGMAMF-HNNXBMFYSA-N 1 0 320.437 0.299 50 0 DCAARO CCn1c(=O)cc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c1=O ZINC000056896474 395935134 /nfs/dbraw/zinc/93/51/34/395935134.db2.gz FPXZVDQBYNAOKT-UHFFFAOYSA-N 1 0 314.389 0.879 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000247309231 395971451 /nfs/dbraw/zinc/97/14/51/395971451.db2.gz QRAYXYAOCBGAGG-BBBLOLIVSA-N 1 0 307.316 0.654 50 0 DCAARO C[C@H]1CNC(=O)CC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000067513598 396027773 /nfs/dbraw/zinc/02/77/73/396027773.db2.gz ZSBXYETTZZCOGO-NSHDSACASA-N 1 0 310.423 0.690 50 0 DCAARO CC[C@H](CO)[NH+]1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000253430444 396028525 /nfs/dbraw/zinc/02/85/25/396028525.db2.gz FGCHNYNYUUBYSQ-CQSZACIVSA-N 1 0 305.426 0.970 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cnc(C(C)C)nc1C ZINC000067921490 396038874 /nfs/dbraw/zinc/03/88/74/396038874.db2.gz HYSHXPCEOJCOIP-JQWIXIFHSA-N 1 0 305.382 0.196 50 0 DCAARO Cn1cccc(C(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)c1=O ZINC000069696946 396087118 /nfs/dbraw/zinc/08/71/18/396087118.db2.gz DRPVPUBMGURQKT-AWEZNQCLSA-N 1 0 321.421 0.550 50 0 DCAARO COCCCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(C)=O ZINC000069705834 396087433 /nfs/dbraw/zinc/08/74/33/396087433.db2.gz XVNVWOKZAYTFST-GJZGRUSLSA-N 1 0 311.426 0.614 50 0 DCAARO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)CN1CCOCC1 ZINC000165534498 396088304 /nfs/dbraw/zinc/08/83/04/396088304.db2.gz DPIFAGWSMYFDRL-QZTJIDSGSA-N 1 0 322.449 0.917 50 0 DCAARO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000069743482 396089796 /nfs/dbraw/zinc/08/97/96/396089796.db2.gz VHHTXDLDYANZRD-BBRMVZONSA-N 1 0 323.412 0.793 50 0 DCAARO COc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000069741018 396089804 /nfs/dbraw/zinc/08/98/04/396089804.db2.gz KNHYNKPXDLPYTA-OLZOCXBDSA-N 1 0 318.377 0.631 50 0 DCAARO COc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1OC ZINC000169756856 396091274 /nfs/dbraw/zinc/09/12/74/396091274.db2.gz HQDJBOTZYBPTIV-TXEJJXNPSA-N 1 0 304.346 0.750 50 0 DCAARO CNC(=O)N1CCC([C@@H]2CCN(C(=O)C3CC[NH2+]CC3)C2)CC1 ZINC000169781673 396091907 /nfs/dbraw/zinc/09/19/07/396091907.db2.gz HFFMHJCCZAIDGP-OAHLLOKOSA-N 1 0 322.453 0.886 50 0 DCAARO COCC(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1C[NH+](C)C ZINC000169790758 396093487 /nfs/dbraw/zinc/09/34/87/396093487.db2.gz XMPKNIKNHOJYMV-HUUCEWRRSA-N 1 0 306.410 0.206 50 0 DCAARO Cc1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(N)[nH+]1 ZINC000069877950 396093869 /nfs/dbraw/zinc/09/38/69/396093869.db2.gz XOUDXYAXNFEEHU-UHFFFAOYSA-N 1 0 311.353 0.132 50 0 DCAARO CN1CC[C@@H](C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000170598777 396095083 /nfs/dbraw/zinc/09/50/83/396095083.db2.gz FRHFRCDIFCYIMT-OAHLLOKOSA-N 1 0 323.437 0.426 50 0 DCAARO Cc1nc(CN2CCC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)no1 ZINC000069928629 396095419 /nfs/dbraw/zinc/09/54/19/396095419.db2.gz DCXYTOHXCWRQJF-LLVKDONJSA-N 1 0 318.385 0.454 50 0 DCAARO COc1ccccc1CNC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000070020649 396098250 /nfs/dbraw/zinc/09/82/50/396098250.db2.gz AEFNDHGRCRPCSA-HNNXBMFYSA-N 1 0 321.421 0.574 50 0 DCAARO O=C(NCCc1cccnc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000071856605 396118415 /nfs/dbraw/zinc/11/84/15/396118415.db2.gz LLAUBHNATRJRIJ-CABCVRRESA-N 1 0 304.394 0.787 50 0 DCAARO CC[C@H]1CN(CC(=O)NCC(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000071864657 396119539 /nfs/dbraw/zinc/11/95/39/396119539.db2.gz UYPNRTYUCDYNGY-MNOVXSKESA-N 1 0 311.348 0.442 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NC1CCOCC1 ZINC000071880480 396122880 /nfs/dbraw/zinc/12/28/80/396122880.db2.gz NTHZKDRBNCSZFR-JKSUJKDBSA-N 1 0 323.437 0.757 50 0 DCAARO CC(C)COC[C@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000071897755 396124498 /nfs/dbraw/zinc/12/44/98/396124498.db2.gz KGMCOPBFPGSCQL-KBPBESRZSA-N 1 0 300.447 0.593 50 0 DCAARO O=C(CCCn1cccn1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072269014 396128164 /nfs/dbraw/zinc/12/81/64/396128164.db2.gz OFILMCOPBRWIQA-HUUCEWRRSA-N 1 0 306.410 0.721 50 0 DCAARO COc1ccc(OC)c([C@@H](O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000072254006 396128180 /nfs/dbraw/zinc/12/81/80/396128180.db2.gz SRNZWVTUUUPJRX-ZBFHGGJFSA-N 1 0 324.421 1.000 50 0 DCAARO Cc1cc(C)n(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000072269510 396129133 /nfs/dbraw/zinc/12/91/33/396129133.db2.gz GLZSMOJQNJHFJO-HZPDHXFCSA-N 1 0 320.437 0.948 50 0 DCAARO CCCCN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000069417186 396078240 /nfs/dbraw/zinc/07/82/40/396078240.db2.gz XZRAIEIXYSVRFK-CYBMUJFWSA-N 1 0 307.460 0.664 50 0 DCAARO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000069489517 396080039 /nfs/dbraw/zinc/08/00/39/396080039.db2.gz MICSTYPLDKYHJR-HNNXBMFYSA-N 1 0 321.421 0.574 50 0 DCAARO CNC(=O)COc1ccccc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069493533 396080066 /nfs/dbraw/zinc/08/00/66/396080066.db2.gz QRMCVFLNZBZUDV-CYBMUJFWSA-N 1 0 315.377 0.508 50 0 DCAARO CCOc1cc2c(cc1NC(=O)CNC(=O)C[NH3+])O[C@@H](C)C2 ZINC000261928958 396080410 /nfs/dbraw/zinc/08/04/10/396080410.db2.gz JEYYWEILLCMXFS-VIFPVBQESA-N 1 0 307.350 0.422 50 0 DCAARO CCc1nsc(N2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000178815164 396209769 /nfs/dbraw/zinc/20/97/69/396209769.db2.gz JHOZRKZXVKBXHD-NSHDSACASA-N 1 0 309.439 0.891 50 0 DCAARO CCOCCO[C@H](C)C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000075106160 396175519 /nfs/dbraw/zinc/17/55/19/396175519.db2.gz NYSNLJVTRFVPLA-CYBMUJFWSA-N 1 0 302.415 0.655 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1[NH+](C)C ZINC000076051688 396193962 /nfs/dbraw/zinc/19/39/62/396193962.db2.gz PGGLOANQJWUDPO-NXEZZACHSA-N 1 0 300.380 0.705 50 0 DCAARO C[C@]1([C@@H]2CCC[N@H+](CCOCC(F)(F)F)C2)NC(=O)NC1=O ZINC000076059165 396194646 /nfs/dbraw/zinc/19/46/46/396194646.db2.gz FOKKHPMMYJAFAV-BXKDBHETSA-N 1 0 323.315 0.875 50 0 DCAARO C[C@@]1([C@H]2CCC[N@H+](CCOCC(F)(F)F)C2)NC(=O)NC1=O ZINC000076059168 396194917 /nfs/dbraw/zinc/19/49/17/396194917.db2.gz FOKKHPMMYJAFAV-CABZTGNLSA-N 1 0 323.315 0.875 50 0 DCAARO Cn1cc(CC[N@@H+]2CCC[C@@H]([C@]3(C)NC(=O)N(C)C3=O)C2)cn1 ZINC000076058816 396195205 /nfs/dbraw/zinc/19/52/05/396195205.db2.gz BCHCLJQDSGPWNI-CJNGLKHVSA-N 1 0 319.409 0.615 50 0 DCAARO COc1ccccc1[C@@H](O)CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000178419583 396195951 /nfs/dbraw/zinc/19/59/51/396195951.db2.gz NRCPUIUUWFLIPB-ZDUSSCGKSA-N 1 0 308.378 0.613 50 0 DCAARO [NH3+]C[C@H]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000178545198 396198288 /nfs/dbraw/zinc/19/82/88/396198288.db2.gz SKPNWNXYDLKWBS-GFCCVEGCSA-N 1 0 303.341 0.886 50 0 DCAARO [NH3+]C[C@@H]1CCN(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000178578137 396199988 /nfs/dbraw/zinc/19/99/88/396199988.db2.gz CFRJHRLMLCCHPH-VIFPVBQESA-N 1 0 314.183 0.418 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000178605856 396200880 /nfs/dbraw/zinc/20/08/80/396200880.db2.gz PAFRGWXVRIAXLL-VIFPVBQESA-N 1 0 314.183 0.961 50 0 DCAARO Cc1noc(C)c1C(=O)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077300553 396218293 /nfs/dbraw/zinc/21/82/93/396218293.db2.gz JKUVNPZZNSCLKJ-MRXNPFEDSA-N 1 0 323.393 0.591 50 0 DCAARO Cc1c(C(=O)N(C)[C@H]2CC[NH2+]C2)cccc1N1CCNC1=O ZINC000179053014 396219770 /nfs/dbraw/zinc/21/97/70/396219770.db2.gz BHLWIGPJHUQEAX-LBPRGKRZSA-N 1 0 302.378 0.959 50 0 DCAARO O[C@]1(C[NH2+]CCc2nc3c(s2)CCCC3)CNCCOC1 ZINC000077424083 396221808 /nfs/dbraw/zinc/22/18/08/396221808.db2.gz FZLHZRQTSVLELY-OAHLLOKOSA-N 1 0 311.451 0.505 50 0 DCAARO [NH3+]CCn1cc(C(=O)N[C@@H](CO)Cc2ccc(Cl)cc2)nn1 ZINC000077457471 396223257 /nfs/dbraw/zinc/22/32/57/396223257.db2.gz DYHYMXKLGNGMAZ-GFCCVEGCSA-N 1 0 323.784 0.224 50 0 DCAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000193329725 396449492 /nfs/dbraw/zinc/44/94/92/396449492.db2.gz QZHBNDFSCYQSGS-SECBINFHSA-N 1 0 304.803 0.690 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)Nc1nncn1Cc1ccccc1 ZINC000581248933 396537237 /nfs/dbraw/zinc/53/72/37/396537237.db2.gz JYYDQISFZKYHFG-CYBMUJFWSA-N 1 0 301.350 0.643 50 0 DCAARO CC(C)[NH+]1CCC(CNC(=O)[C@H]2CCC(=O)NC(=O)N2)CC1 ZINC000584885216 396632322 /nfs/dbraw/zinc/63/23/22/396632322.db2.gz AYMWUBCCPUWQPG-GFCCVEGCSA-N 1 0 310.398 0.211 50 0 DCAARO CN1CCC(CNC(=O)[C@H](O)c2ccccc2)([NH+](C)C)CC1 ZINC000584891091 396634158 /nfs/dbraw/zinc/63/41/58/396634158.db2.gz KKSZWZRPODVRRR-OAHLLOKOSA-N 1 0 305.422 0.862 50 0 DCAARO O=C(c1ccc(CO)o1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000584897024 396635439 /nfs/dbraw/zinc/63/54/39/396635439.db2.gz GJFYBJOBXKVZON-UHFFFAOYSA-N 1 0 308.378 0.835 50 0 DCAARO COCCn1cnnc1[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000584897265 396635655 /nfs/dbraw/zinc/63/56/55/396635655.db2.gz IFHAIQCRONDNEO-GFCCVEGCSA-N 1 0 309.414 0.976 50 0 DCAARO O=C([C@H]1CCC[NH2+]C1)N1CCCN(C(=O)C(F)(F)F)CC1 ZINC000584899902 396636536 /nfs/dbraw/zinc/63/65/36/396636536.db2.gz AMUQUKLCJGYXLI-JTQLQIEISA-N 1 0 307.316 0.609 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000299754063 396714248 /nfs/dbraw/zinc/71/42/48/396714248.db2.gz UHYQICMSXAGYFT-RHSMWYFYSA-N 1 0 319.453 0.447 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH2+]C)C2)c(C)o1 ZINC000133853460 196340285 /nfs/dbraw/zinc/34/02/85/196340285.db2.gz VCPAATOEGLTALB-JTQLQIEISA-N 1 0 315.395 0.320 50 0 DCAARO CCOc1cc2c(cc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)O[C@H](C)C2 ZINC000269209929 415249475 /nfs/dbraw/zinc/24/94/75/415249475.db2.gz OTNIIUYOPFUMAV-SWHYSGLUSA-N 1 0 320.389 0.748 50 0 DCAARO Cn1nc(C(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)c2c1CCCC2 ZINC000067869388 415389695 /nfs/dbraw/zinc/38/96/95/415389695.db2.gz QODGBEIJGKHHHQ-STQMWFEESA-N 1 0 317.437 0.417 50 0 DCAARO O=C(c1cccc2cnccc21)N1CCC2(CC1)NCCNC2=O ZINC000067934112 415389905 /nfs/dbraw/zinc/38/99/05/415389905.db2.gz UXQNPBAFBGFZHG-UHFFFAOYSA-N 1 0 324.384 0.929 50 0 DCAARO O[C@@H](C[NH2+][C@@H]1CCc2ncnn2C1)COCc1ccccc1F ZINC000075132580 415437200 /nfs/dbraw/zinc/43/72/00/415437200.db2.gz MTAFACLDSPSDIA-KGLIPLIRSA-N 1 0 320.368 0.899 50 0 DCAARO COc1ccccc1CN(C)C(=O)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000075133345 415437420 /nfs/dbraw/zinc/43/74/20/415437420.db2.gz VIFPBWYDBYOMTA-OAHLLOKOSA-N 1 0 321.421 0.574 50 0 DCAARO Cc1cnc(CN2C[C@@]3(CCC[N@H+](CCO)C3)CCC2=O)cn1 ZINC000077471024 415462023 /nfs/dbraw/zinc/46/20/23/415462023.db2.gz QCMOKHOICYRZQP-KRWDZBQOSA-N 1 0 318.421 0.982 50 0 DCAARO C[C@H](NC(=O)N(C)C[C@@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000095411298 415558374 /nfs/dbraw/zinc/55/83/74/415558374.db2.gz GNSADXZPTLDPDQ-UONOGXRCSA-N 1 0 314.474 0.671 50 0 DCAARO C[C@@H](O)CNC(=O)C1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000095951767 415563601 /nfs/dbraw/zinc/56/36/01/415563601.db2.gz JSNPXXHIQGFPMP-GFCCVEGCSA-N 1 0 307.394 0.094 50 0 DCAARO CC(=O)N1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000095954962 415565265 /nfs/dbraw/zinc/56/52/65/415565265.db2.gz UYIOYQBHVPSDBK-UHFFFAOYSA-N 1 0 315.417 0.999 50 0 DCAARO C[C@@H](Nc1cc(-n2cccn2)nc(N)[nH+]1)c1nnc2n1CCC2 ZINC000097115239 415584565 /nfs/dbraw/zinc/58/45/65/415584565.db2.gz FSPDMJREQONHGT-SECBINFHSA-N 1 0 311.353 0.955 50 0 DCAARO Cc1n[nH]cc1C[NH2+]CCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000097159640 415587547 /nfs/dbraw/zinc/58/75/47/415587547.db2.gz MBBPVIRWNRITHD-QWRGUYRKSA-N 1 0 316.427 0.247 50 0 DCAARO CN(C)C(=O)N1CC[N@@H+](C2Cc3ccccc3C2)C[C@@H](O)C1 ZINC000097527936 415591065 /nfs/dbraw/zinc/59/10/65/415591065.db2.gz CBLWSUPBFSBGFK-MRXNPFEDSA-N 1 0 303.406 0.814 50 0 DCAARO COCn1ccnc1CN1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107682414 415673044 /nfs/dbraw/zinc/67/30/44/415673044.db2.gz KUBDWLKMJQRQKZ-MRXNPFEDSA-N 1 0 321.425 0.273 50 0 DCAARO O=C(CCc1cnccn1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000299765033 416065839 /nfs/dbraw/zinc/06/58/39/416065839.db2.gz ZFYIMPOQJDMQHW-MRXNPFEDSA-N 1 0 318.421 0.857 50 0 DCAARO NC(=O)NCC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299767002 416066315 /nfs/dbraw/zinc/06/63/15/416066315.db2.gz AAHZISHWJPNMOH-AWEZNQCLSA-N 1 0 304.394 0.683 50 0 DCAARO Cn1nc(-c2ccccc2)cc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1O ZINC000299792536 416068722 /nfs/dbraw/zinc/06/87/22/416068722.db2.gz FPTVZSXXBKMNHS-ZIAGYGMSSA-N 1 0 315.377 0.931 50 0 DCAARO C[N@@H+]1CCN(CCCNS(N)(=O)=O)[C@@H](c2ccccc2)C1 ZINC000229224308 416328105 /nfs/dbraw/zinc/32/81/05/416328105.db2.gz LSIIDUNPDVBGDQ-CQSZACIVSA-N 1 0 312.439 0.158 50 0 DCAARO COC(=O)[C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)C1 ZINC000229934267 416328116 /nfs/dbraw/zinc/32/81/16/416328116.db2.gz XKCCSQWBVUGRCU-MXAVVETBSA-N 1 0 307.394 0.597 50 0 DCAARO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000237807230 416328930 /nfs/dbraw/zinc/32/89/30/416328930.db2.gz GIRKANJYKSCDEZ-RISCZKNCSA-N 1 0 323.418 0.378 50 0 DCAARO COc1ccc(C(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cn1 ZINC000244633688 416330240 /nfs/dbraw/zinc/33/02/40/416330240.db2.gz GHWAVQROBADXPR-DZKIICNBSA-N 1 0 319.405 0.959 50 0 DCAARO CCn1c(CN(C)Cc2nc(C)no2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244724285 416330761 /nfs/dbraw/zinc/33/07/61/416330761.db2.gz MREJLLIWFVYEPZ-PHIMTYICSA-N 1 0 305.386 0.826 50 0 DCAARO COC(=O)C[C@@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000585129382 416520387 /nfs/dbraw/zinc/52/03/87/416520387.db2.gz HTLFHBYKQLAYRQ-ZDUSSCGKSA-N 1 0 312.410 0.899 50 0 DCAARO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408093319 417141256 /nfs/dbraw/zinc/14/12/56/417141256.db2.gz OBYSCACUJXYZJM-MXAVVETBSA-N 1 0 311.426 0.469 50 0 DCAARO C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)CS2 ZINC000449653713 417162035 /nfs/dbraw/zinc/16/20/35/417162035.db2.gz CQKLWCUCYQRHPE-LNLATYFQSA-N 1 0 319.377 0.554 50 0 DCAARO C[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000299738583 229368902 /nfs/dbraw/zinc/36/89/02/229368902.db2.gz CJVZUMHXCINPMU-MNOVXSKESA-N 1 0 314.382 0.795 50 0 DCAARO NC(=O)c1cc([C@H]2CCC[N@H+](CCOC[C@H]3CCCO3)C2)n[nH]1 ZINC000299754304 229398621 /nfs/dbraw/zinc/39/86/21/229398621.db2.gz HLGPNFAEHWZUSW-QWHCGFSZSA-N 1 0 322.409 0.884 50 0 DCAARO C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)C[C@@H](C)[NH2+]1 ZINC000299738923 287987927 /nfs/dbraw/zinc/98/79/27/287987927.db2.gz IOQNARWKYQEWQI-NFAWXSAZSA-N 1 0 324.446 0.851 50 0 DCAARO COc1ccc2ncn(CC[NH+]3CCC(O)CC3)c(=O)c2c1 ZINC000032581853 278005196 /nfs/dbraw/zinc/00/51/96/278005196.db2.gz MWQKABJHEULYET-UHFFFAOYSA-N 1 0 303.362 0.862 50 0 DCAARO C[C@@H](C(=O)NC(N)=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000023249385 278204136 /nfs/dbraw/zinc/20/41/36/278204136.db2.gz PBUWSGGJBSYAJG-ZDUSSCGKSA-N 1 0 304.394 0.430 50 0 DCAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2(Cn3cccn3)CC2)CC1 ZINC000072150233 289222896 /nfs/dbraw/zinc/22/28/96/289222896.db2.gz KTBORPIZPBYZQC-KRWDZBQOSA-N 1 0 320.437 0.969 50 0 DCAARO C[NH+](C)[C@H]1CCCCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC000082109498 289367855 /nfs/dbraw/zinc/36/78/55/289367855.db2.gz XQAKFZCYJQWRKN-ZDUSSCGKSA-N 1 0 302.440 0.754 50 0 DCAARO NC(=O)CCCN1c2ccccc2NC2(CC[NH2+]CC2)C1=O ZINC000082136778 295038612 /nfs/dbraw/zinc/03/86/12/295038612.db2.gz NJWYLCHQPPUKGI-UHFFFAOYSA-N 1 0 302.378 0.833 50 0 DCAARO C[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@@H]1[NH+](C)C ZINC000078896471 300113465 /nfs/dbraw/zinc/11/34/65/300113465.db2.gz JQOSDVFQIFTQME-RYUDHWBXSA-N 1 0 302.440 0.752 50 0 DCAARO CC[NH+]1CCN(CC(=O)N[C@H](CC(C)C)c2ncnn2C)CC1 ZINC000534581077 334289294 /nfs/dbraw/zinc/28/92/94/334289294.db2.gz ZMMXUIOFGDVPCA-CQSZACIVSA-N 1 0 322.457 0.656 50 0 DCAARO NC(=O)c1ccc(OCCCN2C[C@@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC000534645347 334306975 /nfs/dbraw/zinc/30/69/75/334306975.db2.gz AMTKICAEBHZQMW-GJZGRUSLSA-N 1 0 305.378 0.227 50 0 DCAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCC1(CN2CCOCC2)CC1 ZINC000534653669 334312955 /nfs/dbraw/zinc/31/29/55/334312955.db2.gz JARLXCIMSRTSIZ-CABCVRRESA-N 1 0 307.438 0.699 50 0 DCAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)CC2 ZINC000071877604 337366890 /nfs/dbraw/zinc/36/68/90/337366890.db2.gz HAZHRLVMZBKMDT-CHWSQXEVSA-N 1 0 304.398 0.564 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C[C@H](C)[NH2+]1 ZINC000154278771 534424612 /nfs/dbraw/zinc/42/46/12/534424612.db2.gz QHFZWEBMOBNBEY-DTORHVGOSA-N 1 0 315.370 0.296 50 0 DCAARO C1=CC[NH+]([C@@H]2CCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000277281706 526418168 /nfs/dbraw/zinc/41/81/68/526418168.db2.gz AQJWMSNTKUVOSP-CQSZACIVSA-N 1 0 301.394 0.764 50 0 DCAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000157843013 527346549 /nfs/dbraw/zinc/34/65/49/527346549.db2.gz MJAYYHAPBBGFRT-GFCCVEGCSA-N 1 0 316.336 0.935 50 0 DCAARO C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)C[C@H]1[NH+](C)C ZINC000084714314 545702830 /nfs/dbraw/zinc/70/28/30/545702830.db2.gz VTLAMOWSTUQUCA-QWHCGFSZSA-N 1 0 321.425 0.180 50 0 DCAARO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(-n2cnnn2)cc1 ZINC000090466445 545715926 /nfs/dbraw/zinc/71/59/26/545715926.db2.gz YPUGAJXNCXJVRY-SMDDNHRTSA-N 1 0 321.406 0.890 50 0 DCAARO CN(CCCCN1CCOCC1)C(=O)c1[nH]nc(N)c1Cl ZINC000216005885 545938605 /nfs/dbraw/zinc/93/86/05/545938605.db2.gz JLNRQEFTVVHOID-UHFFFAOYSA-N 1 0 315.805 0.830 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CSC(C)(C)C(=O)N1 ZINC000670456486 547097848 /nfs/dbraw/zinc/09/78/48/547097848.db2.gz ZLJFHUULBFLLMR-GFCCVEGCSA-N 1 0 322.434 0.350 50 0 DCAARO CN(C)C(=O)c1ccc(NCC[N@@H+]2CCC[C@H](CO)C2)nc1 ZINC000670462567 547098535 /nfs/dbraw/zinc/09/85/35/547098535.db2.gz RDTMNSASKLWRHW-ZDUSSCGKSA-N 1 0 306.410 0.900 50 0 DCAARO CN1C[C@@H](CNC(=O)C2([NH+]3CCCC3)CCCC2)OCC1=O ZINC000670467178 547100265 /nfs/dbraw/zinc/10/02/65/547100265.db2.gz JEYWAWWXFQKDBN-CYBMUJFWSA-N 1 0 309.410 0.368 50 0 DCAARO Nc1nccnc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136850830 659261863 /nfs/dbraw/zinc/26/18/63/659261863.db2.gz AWLAUKSQWVMGHB-NSHDSACASA-N 1 0 305.382 0.290 50 0 DCAARO Nc1nccnc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136850869 659262204 /nfs/dbraw/zinc/26/22/04/659262204.db2.gz AWLAUKSQWVMGHB-LLVKDONJSA-N 1 0 305.382 0.290 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3cc[nH]n3)C2)CC1 ZINC000299800591 659649520 /nfs/dbraw/zinc/64/95/20/659649520.db2.gz UDVWTZDOXSEZJD-CQSZACIVSA-N 1 0 319.453 0.875 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3cn[nH]n3)C2)CC1 ZINC000426411575 661579356 /nfs/dbraw/zinc/57/93/56/661579356.db2.gz VSZCJTVOAMQNSQ-CYBMUJFWSA-N 1 0 320.441 0.270 50 0 DCAARO COCCN1C[C@@H](C[N@H+](C)CCc2c(C)n[nH]c2C)CC1=O ZINC000299774011 662679226 /nfs/dbraw/zinc/67/92/26/662679226.db2.gz DOQQCSDXDCTKIC-CQSZACIVSA-N 1 0 308.426 0.996 50 0 DCAARO OC1CC[NH+]([C@@H]2CCN(c3ncnc4[nH]ccc43)C[C@H]2O)CC1 ZINC000071479644 666079908 /nfs/dbraw/zinc/07/99/08/666079908.db2.gz KNLOMTGYWBXLCR-ZIAGYGMSSA-N 1 0 317.393 0.354 50 0 DCAARO COc1cccc(OCC[N@@H+]2CCN3CCOC[C@@]3(CO)C2)c1 ZINC000952991607 685602787 /nfs/dbraw/zinc/60/27/87/685602787.db2.gz BQTICPXHBRKTLY-KRWDZBQOSA-N 1 0 322.405 0.453 50 0 DCAARO Cc1nc(CN2CCC(CNC(=O)C[NH+]3CCCC3)CC2)no1 ZINC000952988308 685602476 /nfs/dbraw/zinc/60/24/76/685602476.db2.gz QVBPTGZKGXSTGA-UHFFFAOYSA-N 1 0 321.425 0.802 50 0 DCAARO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[NH+]1CCCCCC1 ZINC000952965629 685598114 /nfs/dbraw/zinc/59/81/14/685598114.db2.gz AVMUOIXAJGZTNS-HNNXBMFYSA-N 1 0 319.405 0.781 50 0 DCAARO C[NH2+]Cc1cn(CC2CCN(C(=O)[C@@H]3CCOC3)CC2)nn1 ZINC000023399291 685052486 /nfs/dbraw/zinc/05/24/86/685052486.db2.gz NQSANWGJWBKLPN-CYBMUJFWSA-N 1 0 307.398 0.273 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1noc2ccccc21 ZINC000067654600 685069207 /nfs/dbraw/zinc/06/92/07/685069207.db2.gz SPSJCXURIRQFKN-CABZTGNLSA-N 1 0 302.334 0.045 50 0 DCAARO COCc1noc(CNc2nc(N(C)C)nc3c2CC[NH2+]C3)n1 ZINC000067740389 685069419 /nfs/dbraw/zinc/06/94/19/685069419.db2.gz JUICXVYSUMBHIH-UHFFFAOYSA-N 1 0 319.369 0.330 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000068492164 685072143 /nfs/dbraw/zinc/07/21/43/685072143.db2.gz UCCYJZOARQDCHR-JTQLQIEISA-N 1 0 313.785 0.726 50 0 DCAARO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C3CCOCC3)CCN2)cn1 ZINC000072145901 685073049 /nfs/dbraw/zinc/07/30/49/685073049.db2.gz UDCGKXGNTZKQLU-OAHLLOKOSA-N 1 0 304.394 0.781 50 0 DCAARO Cc1cc(C[C@@H](C)Nc2nc(N)nc3c2CC[NH2+]CC3)n[nH]1 ZINC000072433735 685075031 /nfs/dbraw/zinc/07/50/31/685075031.db2.gz QQOSILBHEGFLAQ-SECBINFHSA-N 1 0 301.398 0.822 50 0 DCAARO CC(C)[C@@H](CNC(=O)c1cnc(C(N)=O)cn1)[NH+]1CCCC1 ZINC001772702153 1157841042 /nfs/dbraw/zinc/84/10/42/1157841042.db2.gz PVGSKRPLDFJPLI-CYBMUJFWSA-N 1 0 305.382 0.426 50 0 DCAARO CCc1c(C)nn(CC(=O)N2C[C@@H]3COC[C@H](C2)[N@H+](C)C3)c1C ZINC001704330848 1179975382 /nfs/dbraw/zinc/97/53/82/1179975382.db2.gz LCNVDNHDLMBYGV-CABCVRRESA-N 1 0 320.437 0.851 50 0 DCAARO C[C@H](C(=O)N1CCC(CNC(=O)c2ccon2)CC1)[NH+](C)C ZINC000820621641 758149391 /nfs/dbraw/zinc/14/93/91/758149391.db2.gz XQXKTDPAIKXHLU-LLVKDONJSA-N 1 0 308.382 0.593 50 0 DCAARO CCc1nccn1CCCNC(=O)CN1CCC[N@H+](C)CC1 ZINC000823557366 758254114 /nfs/dbraw/zinc/25/41/14/758254114.db2.gz NXEUOOKWTLPYSF-UHFFFAOYSA-N 1 0 307.442 0.589 50 0 DCAARO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2F)C[C@@H]1O ZINC000823730191 758268684 /nfs/dbraw/zinc/26/86/84/758268684.db2.gz USQYSEKJCJAOPV-RYUDHWBXSA-N 1 0 320.361 0.650 50 0 DCAARO O=S(=O)(C[C@@H]1COCCO1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000828388799 759002245 /nfs/dbraw/zinc/00/22/45/759002245.db2.gz IKUWDKKCRWHOAT-ZDUSSCGKSA-N 1 0 318.439 0.197 50 0 DCAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2Cn3cccc3C(=O)N2C)CC1 ZINC000581787371 760248322 /nfs/dbraw/zinc/24/83/22/760248322.db2.gz BWAUDRSHMNCZPL-AWEZNQCLSA-N 1 0 304.394 0.495 50 0 DCAARO CC(C)[NH+]1CCN(C(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000581783329 760249799 /nfs/dbraw/zinc/24/97/99/760249799.db2.gz QCXPUCZMDWOCJT-CYBMUJFWSA-N 1 0 317.455 0.211 50 0 DCAARO COCc1ncc(CN(C)C[C@H]2CCC[N@H+](CCO)C2)cn1 ZINC000952860998 768920992 /nfs/dbraw/zinc/92/09/92/768920992.db2.gz WAHPUOUOMVBHPG-CQSZACIVSA-N 1 0 308.426 0.759 50 0 DCAARO O=C(NC[C@H]1CCC[N@H+](CCn2cnnc2)C1)c1cnccn1 ZINC000952868260 768924544 /nfs/dbraw/zinc/92/45/44/768924544.db2.gz HQJHFCDLYQBYNU-CYBMUJFWSA-N 1 0 315.381 0.210 50 0 DCAARO CS(=O)(=O)N1CC(CN2C[C@H](C[NH3+])Cc3ccccc32)C1 ZINC000952878207 768942038 /nfs/dbraw/zinc/94/20/38/768942038.db2.gz ZWFDORZMBIZHIW-LBPRGKRZSA-N 1 0 309.435 0.515 50 0 DCAARO C[C@H](C(=O)Nc1nnc(CC[NH+](C)C)s1)N1CCCC1=O ZINC001529168070 1014511130 /nfs/dbraw/zinc/51/11/30/1014511130.db2.gz WQWYVHBUOGNZGM-SECBINFHSA-N 1 0 311.411 0.592 50 0 DCAARO CO[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(CC(C)C)nc(=O)[nH]1 ZINC001506416936 1017264156 /nfs/dbraw/zinc/26/41/56/1017264156.db2.gz GYKQGYYZCLKEPU-QWHCGFSZSA-N 1 0 308.382 0.487 50 0 DCAARO CN(C)C(=O)c1cncc(NCCC[N@@H+]2CCC[C@H](CO)C2)n1 ZINC001506427967 1017269168 /nfs/dbraw/zinc/26/91/68/1017269168.db2.gz VPCCYRYCXAHKBS-ZDUSSCGKSA-N 1 0 321.425 0.685 50 0 DCAARO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC)c2)CC1 ZINC000079068243 185152971 /nfs/dbraw/zinc/15/29/71/185152971.db2.gz BMCBPFXWNYUSND-UHFFFAOYSA-N 1 0 307.398 0.832 50 0 DCAARO C[NH2+]C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H]2OC(C)(C)O[C@H]12 ZINC000082049640 192353096 /nfs/dbraw/zinc/35/30/96/192353096.db2.gz SJXNSGJHLDXAIO-QYVSTXNMSA-N 1 0 320.353 0.045 50 0 DCAARO O=C1C[C@]2(CC[N@H+](Cc3ccc4nsnc4c3)C2)C(=O)N1 ZINC000082106323 192356679 /nfs/dbraw/zinc/35/66/79/192356679.db2.gz CLQWDONNOPOLSU-AWEZNQCLSA-N 1 0 302.359 0.930 50 0 DCAARO CCCc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n(C)n1 ZINC000082120543 192357503 /nfs/dbraw/zinc/35/75/03/192357503.db2.gz BLSZZCMOHJZUIF-GFCCVEGCSA-N 1 0 321.425 0.300 50 0 DCAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1ccccc1-n1cncn1 ZINC000082137395 192360965 /nfs/dbraw/zinc/36/09/65/192360965.db2.gz OHROPZGIJUAWGE-UHFFFAOYSA-N 1 0 323.360 0.497 50 0 DCAARO CNS(=O)(=O)CCC[N@H+](C)[C@H](CO)c1cccc(F)c1 ZINC000095395050 185352384 /nfs/dbraw/zinc/35/23/84/185352384.db2.gz PJJMFKVVZIWIAK-CYBMUJFWSA-N 1 0 304.387 0.730 50 0 DCAARO Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072152200 191057127 /nfs/dbraw/zinc/05/71/27/191057127.db2.gz NRKNOFQCGONXIE-INIZCTEOSA-N 1 0 321.425 0.133 50 0 DCAARO O=C(NC[C@]1(O)CC[NH2+]C1)c1cnc(Nc2ccccc2)nc1 ZINC000072173839 191069789 /nfs/dbraw/zinc/06/97/89/191069789.db2.gz OSSJUNLPHFLCAY-INIZCTEOSA-N 1 0 313.361 0.674 50 0 DCAARO O=C(CC[N@@H+]1CCC[C@H](Cn2cncn2)C1)N1CCOCC1 ZINC000072253245 191087772 /nfs/dbraw/zinc/08/77/72/191087772.db2.gz DTSUSAZTRFIQRU-AWEZNQCLSA-N 1 0 307.398 0.239 50 0 DCAARO C[C@H](Cn1cccn1)[NH2+]CC(=O)NCC(C)(C)N1CCOCC1 ZINC000072267727 191091905 /nfs/dbraw/zinc/09/19/05/191091905.db2.gz VAOSWUACPUQTBH-CQSZACIVSA-N 1 0 323.441 0.088 50 0 DCAARO COc1cccc(CNC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000072267640 191091920 /nfs/dbraw/zinc/09/19/20/191091920.db2.gz NNQDGYICLNKPBT-INIZCTEOSA-N 1 0 321.421 0.574 50 0 DCAARO Cc1n[nH]c(C)c1CN(C)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C ZINC000253378430 186302308 /nfs/dbraw/zinc/30/23/08/186302308.db2.gz FFICQVAOVKQMHP-HAQNSBGRSA-N 1 0 303.414 0.992 50 0 DCAARO CCCC[NH+](C[C@H](O)Cn1cccn1)C[C@H](O)Cn1cccn1 ZINC000001900518 282790296 /nfs/dbraw/zinc/79/02/96/282790296.db2.gz GRILMJRDQXJGMC-HOTGVXAUSA-N 1 0 321.425 0.604 50 0 DCAARO Cc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)[nH]1 ZINC000072421940 191158445 /nfs/dbraw/zinc/15/84/45/191158445.db2.gz VSPMKKCDYLXSER-DZGCQCFKSA-N 1 0 306.410 0.913 50 0 DCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)C3CCOCC3)CC[C@H]21 ZINC000072429849 191162658 /nfs/dbraw/zinc/16/26/58/191162658.db2.gz FSTPZMDQICHOID-LSDHHAIUSA-N 1 0 323.437 0.472 50 0 DCAARO Cc1nnc(CCC(=O)NCc2c(C)ncc3c2CC[NH2+]C3)[nH]1 ZINC000072478795 191179312 /nfs/dbraw/zinc/17/93/12/191179312.db2.gz MTISVVWCACYZHW-UHFFFAOYSA-N 1 0 314.393 0.711 50 0 DCAARO COc1cc2c(cc1O)CCN(C[C@H](O)C[NH2+]CCO)[C@H]2C ZINC000004029369 181064482 /nfs/dbraw/zinc/06/44/82/181064482.db2.gz ORRQVCLFTXFXAG-WCQYABFASA-N 1 0 310.394 0.263 50 0 DCAARO C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H]1c1ccccc1 ZINC000253429206 283047415 /nfs/dbraw/zinc/04/74/15/283047415.db2.gz CFAJEATXCGMQMR-PBHICJAKSA-N 1 0 317.389 0.407 50 0 DCAARO C[C@H](CNC(=O)Cc1ccccc1O)C[NH+]1CCN(C)CC1 ZINC000081765038 192321045 /nfs/dbraw/zinc/32/10/45/192321045.db2.gz QDIPFULOCUHLBX-CQSZACIVSA-N 1 0 305.422 0.934 50 0 DCAARO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237009579 202120785 /nfs/dbraw/zinc/12/07/85/202120785.db2.gz MUVOJOQOXHWAHB-ZDUSSCGKSA-N 1 0 316.361 0.260 50 0 DCAARO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000237246571 202202652 /nfs/dbraw/zinc/20/26/52/202202652.db2.gz WQFMGXYSHBUMFI-NXEZZACHSA-N 1 0 307.316 0.608 50 0 DCAARO NC(=O)NCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000092077373 283306359 /nfs/dbraw/zinc/30/63/59/283306359.db2.gz KGHMUKIPFWRZGA-LSDHHAIUSA-N 1 0 316.405 0.778 50 0 DCAARO COC(=O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)CN1C(=O)OC ZINC000001275872 291189363 /nfs/dbraw/zinc/18/93/63/291189363.db2.gz MMZZRSKYKIOHML-QWRGUYRKSA-N 1 0 301.343 0.267 50 0 DCAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cn2)n1 ZINC000237702365 202331602 /nfs/dbraw/zinc/33/16/02/202331602.db2.gz KGEDVKJAODJVEA-OLZOCXBDSA-N 1 0 301.350 0.545 50 0 DCAARO O=C(NC[C@H]1CCCC[C@@H]1O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000262309448 238172455 /nfs/dbraw/zinc/17/24/55/238172455.db2.gz PMTHKGPGHDMIAF-RISCZKNCSA-N 1 0 307.398 0.484 50 0 DCAARO Cc1cccc(N2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)c1C ZINC000276707965 238324356 /nfs/dbraw/zinc/32/43/56/238324356.db2.gz XZUCNUXHBFNHHR-HUUCEWRRSA-N 1 0 303.406 0.675 50 0 DCAARO COc1cccc(CCNC(=O)CN2CC[N@H+](C)C[C@@H]2C)c1 ZINC000089939057 192912100 /nfs/dbraw/zinc/91/21/00/192912100.db2.gz JMHKURCGSWQRKI-AWEZNQCLSA-N 1 0 305.422 0.990 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NCC2([NH3+])CCCCCC2)[C@H](C)CO1 ZINC000408513638 239270863 /nfs/dbraw/zinc/27/08/63/239270863.db2.gz AJYISFMZISLEGC-CHWSQXEVSA-N 1 0 319.471 0.982 50 0 DCAARO COc1ccc([C@H]2CN(C(=O)Cc3nonc3C)C[C@@H]2[NH3+])cc1 ZINC000091381715 193048539 /nfs/dbraw/zinc/04/85/39/193048539.db2.gz JFGFBNKRKNHUJF-KGLIPLIRSA-N 1 0 316.361 0.882 50 0 DCAARO CCc1nnc(N2C[C@H](CO)[C@H](C[N@H+](C)CCOC)C2)s1 ZINC000091616366 193079386 /nfs/dbraw/zinc/07/93/86/193079386.db2.gz BYCTXCWSQJBPGR-VXGBXAGGSA-N 1 0 314.455 0.723 50 0 DCAARO O=C(NCCN1CC2(CC[NH2+]CC2)CCC1=O)c1cccnc1 ZINC000091713516 193095686 /nfs/dbraw/zinc/09/56/86/193095686.db2.gz MSLREABLEGMAQD-UHFFFAOYSA-N 1 0 316.405 0.804 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(c2nccnc2OC)C[C@@H]1CO ZINC000091809140 193110947 /nfs/dbraw/zinc/11/09/47/193110947.db2.gz QAFLNBCNLIZGHO-CHWSQXEVSA-N 1 0 310.398 0.108 50 0 DCAARO CC[N@H+](CCO)C[C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@@H]1CO ZINC000091943182 193129702 /nfs/dbraw/zinc/12/97/02/193129702.db2.gz OJFJGLAOLUJEQS-HUUCEWRRSA-N 1 0 323.437 0.328 50 0 DCAARO CCOC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@@H](CC[NH3+])C2)c1C ZINC000020363177 182211692 /nfs/dbraw/zinc/21/16/92/182211692.db2.gz UHPNYZLXBGMUPS-LBPRGKRZSA-N 1 0 323.393 0.998 50 0 DCAARO CN1CCN(C(=O)CCNc2nc(Cl)nc3nc[nH]c32)CC1 ZINC000020647864 182241575 /nfs/dbraw/zinc/24/15/75/182241575.db2.gz BOTSHPQZKJIQTM-UHFFFAOYSA-N 1 0 323.788 0.582 50 0 DCAARO O=S1(=O)C[C@H](O)[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000022787031 182335182 /nfs/dbraw/zinc/33/51/82/182335182.db2.gz NZYRXLCDZBUGLI-KFWWJZLASA-N 1 0 310.419 0.008 50 0 DCAARO COc1cc(C[NH2+]CCN2CCOCC2)ccc1OCCO ZINC000022937239 182342837 /nfs/dbraw/zinc/34/28/37/182342837.db2.gz BKVIOLNLKXCZJB-UHFFFAOYSA-N 1 0 310.394 0.488 50 0 DCAARO COc1cc(F)c(S(=O)(=O)NC2CC[NH2+]CC2)cc1OC ZINC000036286192 182813033 /nfs/dbraw/zinc/81/30/33/182813033.db2.gz FGMYNTYQBOTHHZ-UHFFFAOYSA-N 1 0 318.370 0.873 50 0 DCAARO CC(C)[C@H](CNC(=O)[C@@H](C)n1cncn1)[NH+]1CCN(C)CC1 ZINC000042582862 183286714 /nfs/dbraw/zinc/28/67/14/183286714.db2.gz AEAHNJNIXDMMPG-KGLIPLIRSA-N 1 0 308.430 0.227 50 0 DCAARO CC(C)[C@H](CNC(=O)[C@H](C)n1cncn1)[NH+]1CCN(C)CC1 ZINC000042582866 183286956 /nfs/dbraw/zinc/28/69/56/183286956.db2.gz AEAHNJNIXDMMPG-KBPBESRZSA-N 1 0 308.430 0.227 50 0 DCAARO O=C(Cn1cnnn1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056997873 184023824 /nfs/dbraw/zinc/02/38/24/184023824.db2.gz ZYGHBGGTNGSANT-UHFFFAOYSA-N 1 0 300.366 0.950 50 0 DCAARO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(n2cncn2)CC1 ZINC000058166848 184083226 /nfs/dbraw/zinc/08/32/26/184083226.db2.gz RXZVPISHIREZIU-NSHDSACASA-N 1 0 322.413 0.928 50 0 DCAARO CCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+](C)C)C1 ZINC000065362979 184328436 /nfs/dbraw/zinc/32/84/36/184328436.db2.gz MRXBMPRZXXZATO-LBPRGKRZSA-N 1 0 305.444 0.116 50 0 DCAARO CCS(=O)(=O)N1CCC(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000065365780 184329415 /nfs/dbraw/zinc/32/94/15/184329415.db2.gz VVBWHWXFGBMREK-UHFFFAOYSA-N 1 0 317.455 0.259 50 0 DCAARO CC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2nnc(C3CC3)s2)C1 ZINC000065460767 184348966 /nfs/dbraw/zinc/34/89/66/184348966.db2.gz NEBKDTRYWYXCHG-NSHDSACASA-N 1 0 323.422 0.955 50 0 DCAARO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000065491385 184353521 /nfs/dbraw/zinc/35/35/21/184353521.db2.gz PHPDYGXDMHPBBA-NSHDSACASA-N 1 0 312.395 0.550 50 0 DCAARO CCN1CC2(CCC1=O)CCN(C(=O)C[C@H]1COCC[NH2+]1)CC2 ZINC000092028816 256548855 /nfs/dbraw/zinc/54/88/55/256548855.db2.gz WMVVKOLQGMWZSA-AWEZNQCLSA-N 1 0 323.437 0.616 50 0 DCAARO C[C@H]1CN(C(=O)c2cc(N3CCNC3=O)c(F)cc2F)CC[NH2+]1 ZINC000237533791 257238620 /nfs/dbraw/zinc/23/86/20/257238620.db2.gz BSGAQBJTCPFJFJ-VIFPVBQESA-N 1 0 324.331 0.928 50 0 DCAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1nc2ccccc2[nH]1 ZINC000426739122 257243550 /nfs/dbraw/zinc/24/35/50/257243550.db2.gz WONVXKXDVLOVGS-GFCCVEGCSA-N 1 0 301.394 0.467 50 0 DCAARO CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)c(OCC[NH3+])c1 ZINC000426536579 257246994 /nfs/dbraw/zinc/24/69/94/257246994.db2.gz XNNBXQAPMHXFGR-CYBMUJFWSA-N 1 0 305.378 0.683 50 0 DCAARO Cc1ccc(C(=O)N2CCOC3(CC[NH2+]CC3)C2)c(=O)n1C ZINC000426368355 257253130 /nfs/dbraw/zinc/25/31/30/257253130.db2.gz VPDXRWUTIQBTEV-UHFFFAOYSA-N 1 0 305.378 0.288 50 0 DCAARO NC(=O)C1CC[NH+](CCC(=O)NCCc2ccccc2)CC1 ZINC000071833184 184861159 /nfs/dbraw/zinc/86/11/59/184861159.db2.gz KBBOEFJFXXAWPO-UHFFFAOYSA-N 1 0 303.406 0.933 50 0 DCAARO COc1cccc(N2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)c1 ZINC000299740947 134741622 /nfs/dbraw/zinc/74/16/22/134741622.db2.gz CFNHSVGUVIJWKU-UKRRQHHQSA-N 1 0 305.378 0.067 50 0 DCAARO Nc1cc(N)[nH+]c(SCC(=O)NC(=O)NCC(F)(F)F)n1 ZINC000009322763 395685349 /nfs/dbraw/zinc/68/53/49/395685349.db2.gz NEWAXLFCXDEWKY-UHFFFAOYSA-N 1 0 324.288 0.121 50 0 DCAARO O=C1N(CC2CC2)CCC[C@]1(O)C[NH+]1CCC2(CC1)OCCO2 ZINC000012835357 395688047 /nfs/dbraw/zinc/68/80/47/395688047.db2.gz MTJGSNHICMJAFS-INIZCTEOSA-N 1 0 324.421 0.589 50 0 DCAARO CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](C)CC2 ZINC000014535923 395689441 /nfs/dbraw/zinc/68/94/41/395689441.db2.gz MVWBVLOYUARHTM-UHFFFAOYSA-N 1 0 310.398 0.246 50 0 DCAARO Cn1nnc([C@H](O)C[NH2+]Cc2ccc(Br)cc2)n1 ZINC000015083754 395689825 /nfs/dbraw/zinc/68/98/25/395689825.db2.gz YVQMFEIOSUVAQV-SNVBAGLBSA-N 1 0 312.171 0.796 50 0 DCAARO Cc1cccc(OCC(=O)N2CCOC[C@@H]2C[N@H+](C)CCO)c1 ZINC000085469966 395700914 /nfs/dbraw/zinc/70/09/14/395700914.db2.gz 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ZINC000091998077 395728506 /nfs/dbraw/zinc/72/85/06/395728506.db2.gz PPHXXQDNCHDICW-QWHCGFSZSA-N 1 0 312.439 0.926 50 0 DCAARO O[C@H]1CN(CCN2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000096136022 395745749 /nfs/dbraw/zinc/74/57/49/395745749.db2.gz WUXUALHWKFMQCU-SFHVURJKSA-N 1 0 319.449 0.497 50 0 DCAARO COc1cncc(N2CC[NH+](CCCc3cnn(C)c3)CC2)n1 ZINC000096406651 395752866 /nfs/dbraw/zinc/75/28/66/395752866.db2.gz BDYMJPTTYMKEKQ-UHFFFAOYSA-N 1 0 316.409 0.974 50 0 DCAARO OCCN1CC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C[C@@H](O)C1 ZINC000097307416 395757109 /nfs/dbraw/zinc/75/71/09/395757109.db2.gz YILWJDFUOCKEOK-LBPRGKRZSA-N 1 0 322.434 0.609 50 0 DCAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1cccc(-n2cnnc2)c1 ZINC000097766844 395760298 /nfs/dbraw/zinc/76/02/98/395760298.db2.gz WWZRNVUQSNITKI-UHFFFAOYSA-N 1 0 323.360 0.497 50 0 DCAARO CS(=O)(=O)NCCNC(=O)NCCC[NH+]1CCCCCC1 ZINC000047945002 395803939 /nfs/dbraw/zinc/80/39/39/395803939.db2.gz BVPIEIDNHYJUDH-UHFFFAOYSA-N 1 0 320.459 0.101 50 0 DCAARO CC(C)OCC(=O)N1CCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000219655648 395846185 /nfs/dbraw/zinc/84/61/85/395846185.db2.gz STGDGAWYZJTUIY-AWEZNQCLSA-N 1 0 310.398 0.245 50 0 DCAARO C[N@@H+]1CCOC[C@H](CNC(=O)Cn2cnc3ccccc32)C1 ZINC000220754230 395849662 /nfs/dbraw/zinc/84/96/62/395849662.db2.gz SHZPZMBMWMDFHH-CYBMUJFWSA-N 1 0 302.378 0.731 50 0 DCAARO Cc1ccnn1CC(=O)N1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000221375927 395850397 /nfs/dbraw/zinc/85/03/97/395850397.db2.gz JLKBUOOBGJLXFR-UHFFFAOYSA-N 1 0 319.409 0.004 50 0 DCAARO CNS(=O)(=O)CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055403474 395918828 /nfs/dbraw/zinc/91/88/28/395918828.db2.gz VJRJNFQKBSOHHU-UHFFFAOYSA-N 1 0 312.370 0.855 50 0 DCAARO O=C(c1cccnc1-n1cncn1)N1CC[NH+](CC2CC2)CC1 ZINC000055672918 395920606 /nfs/dbraw/zinc/92/06/06/395920606.db2.gz XUERHVSTWKDNEC-UHFFFAOYSA-N 1 0 312.377 0.830 50 0 DCAARO Cc1cccc(=O)n1CCCNC(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000244884284 395925753 /nfs/dbraw/zinc/92/57/53/395925753.db2.gz YIYNZMXCDGMAMF-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/99/07/32/395990732.db2.gz ZCMOQBMRORJQRX-GFCCVEGCSA-N 1 0 322.434 0.977 50 0 DCAARO C[C@@H]1CN(C(=O)CCn2nc3ccccn3c2=O)C[C@H](C)[NH2+]1 ZINC000153253697 396022740 /nfs/dbraw/zinc/02/27/40/396022740.db2.gz SKMUUZFIZIFTJW-TXEJJXNPSA-N 1 0 303.366 0.095 50 0 DCAARO CCC1(CC)NC(=O)N(CC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1=O ZINC000154002239 396028970 /nfs/dbraw/zinc/02/89/70/396028970.db2.gz HREWKJIGBZPDOD-PHIMTYICSA-N 1 0 310.398 0.306 50 0 DCAARO O=C(N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1cccc(=O)[nH]1 ZINC000253535546 396029735 /nfs/dbraw/zinc/02/97/35/396029735.db2.gz BDJOQTNMUBACEI-LALPHHSUSA-N 1 0 305.378 0.656 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(OC)c(COC)c1 ZINC000067772515 396033071 /nfs/dbraw/zinc/03/30/71/396033071.db2.gz KMDMUDXHBYAROR-STQMWFEESA-N 1 0 321.377 0.129 50 0 DCAARO CC(C)(C[NH+]1CCC(NS(C)(=O)=O)CC1)N1CCOCC1 ZINC000067773974 396033395 /nfs/dbraw/zinc/03/33/95/396033395.db2.gz BSQMVVYFOJQTFI-UHFFFAOYSA-N 1 0 319.471 0.111 50 0 DCAARO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CO)cn1 ZINC000257187357 396034752 /nfs/dbraw/zinc/03/47/52/396034752.db2.gz LQUVJOCVLWUYHT-GOEBONIOSA-N 1 0 319.405 0.592 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(OC)cc1C ZINC000067817355 396035015 /nfs/dbraw/zinc/03/50/15/396035015.db2.gz VBIDOAUQUPMXFO-RISCZKNCSA-N 1 0 305.378 0.682 50 0 DCAARO CCn1c(=O)n(CCCn2cccn2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067847092 396035950 /nfs/dbraw/zinc/03/59/50/396035950.db2.gz OHNUZVWROAHYNV-CYBMUJFWSA-N 1 0 304.398 0.819 50 0 DCAARO COCCN1C[C@H](CNc2ncnc3c2CC[NH2+]C3)CC1=O ZINC000067920185 396038617 /nfs/dbraw/zinc/03/86/17/396038617.db2.gz YPLUTIUNXNGYMZ-NSHDSACASA-N 1 0 305.382 0.029 50 0 DCAARO Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067954693 396040628 /nfs/dbraw/zinc/04/06/28/396040628.db2.gz FMQVOAGLCSDPEQ-MRXNPFEDSA-N 1 0 303.410 0.820 50 0 DCAARO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)N(C)C2CCOCC2)C1 ZINC000257366464 396046690 /nfs/dbraw/zinc/04/66/90/396046690.db2.gz ZNPKSGCMQXNTCD-TZMCWYRMSA-N 1 0 319.471 0.660 50 0 DCAARO Cn1ccnc1[C@H](O)C1CC[NH+](CCCn2cnnn2)CC1 ZINC000252481481 396020006 /nfs/dbraw/zinc/02/00/06/396020006.db2.gz CMXILVSUVVHYQR-CYBMUJFWSA-N 1 0 305.386 0.242 50 0 DCAARO CCN1CCN(C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C1=O ZINC000069709411 396087856 /nfs/dbraw/zinc/08/78/56/396087856.db2.gz QQCBUZJGNJXIGQ-HNNXBMFYSA-N 1 0 321.425 0.466 50 0 DCAARO C[C@@H](C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1)n1ccnc1 ZINC000069770362 396089298 /nfs/dbraw/zinc/08/92/98/396089298.db2.gz BHIJCXRBSFKNMR-UONOGXRCSA-N 1 0 308.426 0.995 50 0 DCAARO COCC[N@@H+]1CCN(Cc2cccc(OCC(N)=O)c2)C[C@@H]1C ZINC000069840517 396091911 /nfs/dbraw/zinc/09/19/11/396091911.db2.gz IRNFPXBQPIOWQC-AWEZNQCLSA-N 1 0 321.421 0.703 50 0 DCAARO CCCS(=O)(=O)N1CCC2(C[C@@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000169787714 396092641 /nfs/dbraw/zinc/09/26/41/396092641.db2.gz KOJLMWGFPVANCB-GFCCVEGCSA-N 1 0 315.439 0.013 50 0 DCAARO Cc1cccn2c(=O)cc(C[NH2+][C@H]3CCc4ncnn4C3)nc12 ZINC000069873113 396093112 /nfs/dbraw/zinc/09/31/12/396093112.db2.gz XGUQJMOPOLKDQW-LBPRGKRZSA-N 1 0 310.361 0.699 50 0 DCAARO O[C@H](C[NH2+][C@@H]1CCc2ncnn2C1)COc1ccc(F)cc1 ZINC000069876526 396094002 /nfs/dbraw/zinc/09/40/02/396094002.db2.gz UFJPMQIAPNNYMX-CHWSQXEVSA-N 1 0 306.341 0.762 50 0 DCAARO O=C(C[NH2+][C@H]1CCc2ncnn2C1)NCCc1cccs1 ZINC000069902300 396094846 /nfs/dbraw/zinc/09/48/46/396094846.db2.gz GEMUNJPIIFKCJX-NSHDSACASA-N 1 0 305.407 0.603 50 0 DCAARO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000070011754 396096971 /nfs/dbraw/zinc/09/69/71/396096971.db2.gz YTSXCCXGXYPPHR-QLFBSQMISA-N 1 0 321.425 0.674 50 0 DCAARO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000069981814 396097269 /nfs/dbraw/zinc/09/72/69/396097269.db2.gz ORYNBXPUVREIMP-NEPJUHHUSA-N 1 0 317.397 0.987 50 0 DCAARO C[NH+]1CCC(NC(=O)CCc2nc(-c3ncccn3)no2)CC1 ZINC000171289715 396113395 /nfs/dbraw/zinc/11/33/95/396113395.db2.gz NDCWKXDWBAHUED-UHFFFAOYSA-N 1 0 316.365 0.670 50 0 DCAARO C[N@H+](CC(=O)N1CCN(C(=O)Cc2ccccn2)CC1)C1CC1 ZINC000071799487 396115399 /nfs/dbraw/zinc/11/53/99/396115399.db2.gz RUYOOTSDVNBKHD-UHFFFAOYSA-N 1 0 316.405 0.389 50 0 DCAARO O=C(C[NH2+]C[C@H]1CCCN1c1cccnn1)NCc1ccco1 ZINC000071859840 396119593 /nfs/dbraw/zinc/11/95/93/396119593.db2.gz CNFCGEBOBYFSEA-CYBMUJFWSA-N 1 0 315.377 0.944 50 0 DCAARO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000071875679 396120154 /nfs/dbraw/zinc/12/01/54/396120154.db2.gz LOMDRSMJZBSFER-HNNXBMFYSA-N 1 0 316.409 0.740 50 0 DCAARO Cc1cnn(C[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)N2CCOCC2)c1 ZINC000071875779 396120472 /nfs/dbraw/zinc/12/04/72/396120472.db2.gz ZSLQSKYYBBSIEQ-GJZGRUSLSA-N 1 0 306.410 0.903 50 0 DCAARO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H](C)Cn2cc(C)cn2)C1 ZINC000072253196 396126915 /nfs/dbraw/zinc/12/69/15/396126915.db2.gz ATXKMJPBKGQIAD-HIFRSBDPSA-N 1 0 321.425 0.297 50 0 DCAARO COCCC[N@H+](C)CCNC(=O)C1(C(=O)NC2CC2)CCC1 ZINC000072295864 396129739 /nfs/dbraw/zinc/12/97/39/396129739.db2.gz OJGABVNMWOCXIP-UHFFFAOYSA-N 1 0 311.426 0.520 50 0 DCAARO C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCN1Cc1nccn1C ZINC000069455099 396078744 /nfs/dbraw/zinc/07/87/44/396078744.db2.gz MKYCNWYWZDMQHZ-CABCVRRESA-N 1 0 318.425 0.184 50 0 DCAARO [NH3+]C[C@@H]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000178545208 396198603 /nfs/dbraw/zinc/19/86/03/396198603.db2.gz SKPNWNXYDLKWBS-LBPRGKRZSA-N 1 0 303.341 0.886 50 0 DCAARO CC[NH+]1CCN(CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC1 ZINC000076425143 396204014 /nfs/dbraw/zinc/20/40/14/396204014.db2.gz QKRPCGYCGAWYHY-INIZCTEOSA-N 1 0 318.421 0.227 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3noc(C)n3)C[C@@H]2C)CC1 ZINC000078896265 396257105 /nfs/dbraw/zinc/25/71/05/396257105.db2.gz HXURRSCERMCRLT-SWLSCSKDSA-N 1 0 321.425 0.753 50 0 DCAARO COc1ccc(C(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)o1 ZINC000077287831 396217076 /nfs/dbraw/zinc/21/70/76/396217076.db2.gz RWMZVBPUDTUHFE-MRXNPFEDSA-N 1 0 324.377 0.588 50 0 DCAARO Cc1cc(N2CCN(C(=O)CN3CCOC3=O)CC2)cc(C)[nH+]1 ZINC000077358763 396219220 /nfs/dbraw/zinc/21/92/20/396219220.db2.gz AZKOPMUANLUCKO-UHFFFAOYSA-N 1 0 318.377 0.799 50 0 DCAARO O=C(c1cccnn1)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000077440296 396221787 /nfs/dbraw/zinc/22/17/87/396221787.db2.gz XRTUIKVXNKECES-OAHLLOKOSA-N 1 0 301.394 0.329 50 0 DCAARO COc1cccc(CNC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)c1 ZINC000190808196 396412013 /nfs/dbraw/zinc/41/20/13/396412013.db2.gz AFVUBKBRORSHBT-STQMWFEESA-N 1 0 310.394 0.375 50 0 DCAARO COCCCC[NH+]1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC000584894328 396634402 /nfs/dbraw/zinc/63/44/02/396634402.db2.gz VCOCCAWRAJIEOM-UHFFFAOYSA-N 1 0 307.394 0.419 50 0 DCAARO C[C@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000375855956 396833964 /nfs/dbraw/zinc/83/39/64/396833964.db2.gz DMDVOMOFSWVVDX-OIYCOIKZSA-N 1 0 323.437 0.611 50 0 DCAARO CNC(=O)c1cncc(/C=C\C(=O)N2CCC[C@H]([NH2+]C)C2)c1 ZINC000255163471 287123325 /nfs/dbraw/zinc/12/33/25/287123325.db2.gz QGQVUEZCRWMZNN-GXMNPTEKSA-N 1 0 302.378 0.665 50 0 DCAARO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)N1CCNC(=O)C1 ZINC000025359671 415161239 /nfs/dbraw/zinc/16/12/39/415161239.db2.gz XPTPXLLHQQSTAF-HNNXBMFYSA-N 1 0 301.390 0.652 50 0 DCAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+](CCO)CCO ZINC000005925749 415134599 /nfs/dbraw/zinc/13/45/99/415134599.db2.gz CCEXBZJETAGAOP-ZDUSSCGKSA-N 1 0 303.786 0.675 50 0 DCAARO C[NH+]1CCN(c2nc(CSc3ncccn3)cc(=O)[nH]2)CC1 ZINC000009050395 415144499 /nfs/dbraw/zinc/14/44/99/415144499.db2.gz XYYVHNWSSSMCMR-UHFFFAOYSA-N 1 0 318.406 0.604 50 0 DCAARO CCN1C[C@@H](C[N@H+](C)CCC(=O)NC(N)=O)Oc2ccccc21 ZINC000011193526 415149089 /nfs/dbraw/zinc/14/90/89/415149089.db2.gz DAXSIUYACVPEBQ-GFCCVEGCSA-N 1 0 320.393 0.791 50 0 DCAARO CN(C(=O)C(N)=O)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072126470 415407915 /nfs/dbraw/zinc/40/79/15/415407915.db2.gz BESBQJGNKYPRMR-CQSZACIVSA-N 1 0 301.390 0.562 50 0 DCAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCCCO)cnn2c1 ZINC000067674080 415378079 /nfs/dbraw/zinc/37/80/79/415378079.db2.gz DPJZNYJVGHLBEG-UHFFFAOYSA-N 1 0 305.382 0.683 50 0 DCAARO O=c1cc(CO)oc(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC000079481564 415475940 /nfs/dbraw/zinc/47/59/40/415475940.db2.gz UUSYKRVUNDBDHF-UHFFFAOYSA-N 1 0 324.377 0.134 50 0 DCAARO CC[N@H+](CC(=O)NC[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(C)C ZINC000096424245 415575876 /nfs/dbraw/zinc/57/58/76/415575876.db2.gz YOONQVIQFPDLQN-QWHCGFSZSA-N 1 0 304.456 0.904 50 0 DCAARO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000095954117 415561931 /nfs/dbraw/zinc/56/19/31/415561931.db2.gz ITBFUHAHNOTIFO-NSHDSACASA-N 1 0 311.407 0.466 50 0 DCAARO Cc1nc(C[C@@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)no1 ZINC000095958188 415568308 /nfs/dbraw/zinc/56/83/08/415568308.db2.gz BCAYOYMFQAFAIT-LBPRGKRZSA-N 1 0 306.366 0.782 50 0 DCAARO CC(C)=CC(=O)N1CCN(c2cc(C)[nH+]c(N)n2)C[C@@H](O)C1 ZINC000097076196 415579158 /nfs/dbraw/zinc/57/91/58/415579158.db2.gz XLHWAKXKGLWDBX-GFCCVEGCSA-N 1 0 305.382 0.343 50 0 DCAARO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(-n2ccnn2)cc1 ZINC000097033686 415579833 /nfs/dbraw/zinc/57/98/33/415579833.db2.gz HCGQEEOUFQFXMC-ZDUSSCGKSA-N 1 0 315.377 0.777 50 0 DCAARO O=C(C[C@@H]1CCc2ccccc21)NCC(=O)N1CC[NH2+]CC1 ZINC000097172855 415587930 /nfs/dbraw/zinc/58/79/30/415587930.db2.gz GJQZEIBYCNRTIE-AWEZNQCLSA-N 1 0 301.390 0.655 50 0 DCAARO CC(C)OCCC[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000097147520 415588072 /nfs/dbraw/zinc/58/80/72/415588072.db2.gz YNNNLMCMJQMPEP-UHFFFAOYSA-N 1 0 318.483 0.996 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@@H]1C ZINC000106929152 415656863 /nfs/dbraw/zinc/65/68/63/415656863.db2.gz YMBKNRDJKVHOFV-STQMWFEESA-N 1 0 309.454 0.678 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000125090008 415859662 /nfs/dbraw/zinc/85/96/62/415859662.db2.gz IGMZXVJDHRGFLC-LLVKDONJSA-N 1 0 301.350 0.002 50 0 DCAARO O=C(Nc1ccccc1-n1cccn1)N[C@@H]1C[NH2+]CC[C@H]1O ZINC000299755075 416064361 /nfs/dbraw/zinc/06/43/61/416064361.db2.gz CHWCYSTZDBVYNF-TZMCWYRMSA-N 1 0 301.350 0.717 50 0 DCAARO O=C(CCc1cnccn1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000299765032 416066069 /nfs/dbraw/zinc/06/60/69/416066069.db2.gz ZFYIMPOQJDMQHW-INIZCTEOSA-N 1 0 318.421 0.857 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@H]1C ZINC000247401140 416332732 /nfs/dbraw/zinc/33/27/32/416332732.db2.gz YMBKNRDJKVHOFV-OLZOCXBDSA-N 1 0 309.454 0.678 50 0 DCAARO C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(N2CCCC2=O)cc1 ZINC000237534835 416328227 /nfs/dbraw/zinc/32/82/27/416328227.db2.gz VKAHEDJHKIROQC-NILFDRSVSA-N 1 0 317.389 0.713 50 0 DCAARO COc1ccccc1CNC(=O)C[N@H+](C)C1(CO)CCOCC1 ZINC000239591401 416330146 /nfs/dbraw/zinc/33/01/46/416330146.db2.gz BBGGCOLGGWWAND-UHFFFAOYSA-N 1 0 322.405 0.785 50 0 DCAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000242302434 416330422 /nfs/dbraw/zinc/33/04/22/416330422.db2.gz YSORVVREZOPIDB-SMDDNHRTSA-N 1 0 316.423 0.922 50 0 DCAARO CCc1nccn1CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000244647023 416330637 /nfs/dbraw/zinc/33/06/37/416330637.db2.gz GTOMQFGOBXKLBO-KBPBESRZSA-N 1 0 306.410 0.815 50 0 DCAARO Cc1cc(N2CCN(C(=O)C[C@@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000426563042 416775225 /nfs/dbraw/zinc/77/52/25/416775225.db2.gz ASRODKOLKSFOTK-LBPRGKRZSA-N 1 0 305.382 0.442 50 0 DCAARO Cc1nnc(CN(C)CC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])n1C ZINC000429159835 416950264 /nfs/dbraw/zinc/95/02/64/416950264.db2.gz RPFAUGLAEOCWPD-WCQYABFASA-N 1 0 308.430 0.141 50 0 DCAARO CN1C(=O)C[C@H](C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(F)cc1 ZINC000237062232 273864055 /nfs/dbraw/zinc/86/40/55/273864055.db2.gz XBDSJFLATDIBMO-DZGCQCFKSA-N 1 0 305.353 0.777 50 0 DCAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NC(N)=O ZINC000026298668 274275816 /nfs/dbraw/zinc/27/58/16/274275816.db2.gz IHYKXKHYYWUYHL-JTQLQIEISA-N 1 0 302.338 0.455 50 0 DCAARO C[NH+](C)CC(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091643821 276755583 /nfs/dbraw/zinc/75/55/83/276755583.db2.gz ORAXPZNHJSDEQE-UHFFFAOYSA-N 1 0 302.378 0.973 50 0 DCAARO CN(C)c1ncnc2c1CCN(C(=O)C[NH+]1CCCCC1)C2 ZINC000072157231 276815613 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IRSNLXSVGPFPKE-CYBMUJFWSA-N 1 0 302.371 0.360 50 0 DCAARO CCc1nsc(N2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)n1 ZINC000178815174 341966111 /nfs/dbraw/zinc/96/61/11/341966111.db2.gz JHOZRKZXVKBXHD-LLVKDONJSA-N 1 0 309.439 0.891 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])o1 ZINC000156966155 522277554 /nfs/dbraw/zinc/27/75/54/522277554.db2.gz YQXCLIUGKVWRRH-VHSXEESVSA-N 1 0 315.395 0.387 50 0 DCAARO C[C@@]1(c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2)NC(=O)NC1=O ZINC000157849905 525887208 /nfs/dbraw/zinc/88/72/08/525887208.db2.gz ACLFFIBCSBMUDL-WBMJQRKESA-N 1 0 316.361 0.305 50 0 DCAARO COc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)ccn1 ZINC000223722396 545943084 /nfs/dbraw/zinc/94/30/84/545943084.db2.gz REMDYVMBVAXGAG-ZIAGYGMSSA-N 1 0 323.393 0.556 50 0 DCAARO O=C(CCCN1CCCC1=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000670462587 547099364 /nfs/dbraw/zinc/09/93/64/547099364.db2.gz OKOQUJHMLMPZOV-CQSZACIVSA-N 1 0 311.426 0.352 50 0 DCAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000670468742 547100763 /nfs/dbraw/zinc/10/07/63/547100763.db2.gz WNFGCTIBFVPLSE-LBPRGKRZSA-N 1 0 323.359 0.661 50 0 DCAARO CN(C)C(=O)c1ccc(N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)nc1 ZINC000670469516 547100892 /nfs/dbraw/zinc/10/08/92/547100892.db2.gz TUZDZHNIHUEABT-GJZGRUSLSA-N 1 0 318.421 0.819 50 0 DCAARO CCc1nc(N)sc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000217146405 563713343 /nfs/dbraw/zinc/71/33/43/563713343.db2.gz NIVOJPCHYTZDII-JTQLQIEISA-N 1 0 309.439 0.407 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3cn[nH]n3)C2)CC1 ZINC000426411576 661579723 /nfs/dbraw/zinc/57/97/23/661579723.db2.gz VSZCJTVOAMQNSQ-ZDUSSCGKSA-N 1 0 320.441 0.270 50 0 DCAARO CN1CCC([NH+]2CCC(C(=O)NCCc3cn[nH]n3)CC2)CC1 ZINC000426627691 661666978 /nfs/dbraw/zinc/66/69/78/661666978.db2.gz LUOGZQMWIVUBKQ-UHFFFAOYSA-N 1 0 320.441 0.270 50 0 DCAARO C[NH+](C)[C@@H]1CCN(CC(=O)NCCCOc2cccnc2)C1 ZINC000299785409 662684337 /nfs/dbraw/zinc/68/43/37/662684337.db2.gz ZBJBILDIRGFUAM-CQSZACIVSA-N 1 0 306.410 0.603 50 0 DCAARO 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/nfs/dbraw/zinc/68/95/76/395689576.db2.gz BONFXGIUEYNTCX-UHFFFAOYSA-N 1 0 322.409 0.504 50 0 DCAARO CNC(=O)NC(=O)CC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000029964961 395701562 /nfs/dbraw/zinc/70/15/62/395701562.db2.gz JLBZEENJCGYWSZ-UHFFFAOYSA-N 1 0 310.423 0.711 50 0 DCAARO [NH3+]C[C@@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C1CC1 ZINC000097229402 395756584 /nfs/dbraw/zinc/75/65/84/395756584.db2.gz KQOJCVFURFKTTL-OAHLLOKOSA-N 1 0 320.418 0.947 50 0 DCAARO Cn1nc(-c2ccccc2)cc1C(=O)N1CC[NH2+]C[C@H](O)C1 ZINC000097546579 395758745 /nfs/dbraw/zinc/75/87/45/395758745.db2.gz GYGAMXOUSJQFHO-ZDUSSCGKSA-N 1 0 300.362 0.493 50 0 DCAARO C[C@H]1C[N@H+](C)CCCN1C(=O)CSc1nnc(N)s1 ZINC000219039048 395843863 /nfs/dbraw/zinc/84/38/63/395843863.db2.gz RZLTVMABQZYJDK-QMMMGPOBSA-N 1 0 301.441 0.765 50 0 DCAARO Cc1ccnn1CCC(=O)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000222414520 395852590 /nfs/dbraw/zinc/85/25/90/395852590.db2.gz QAACWRMLCLNSQD-INIZCTEOSA-N 1 0 320.437 0.887 50 0 DCAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cnc[nH]c1=O ZINC000223730860 395856281 /nfs/dbraw/zinc/85/62/81/395856281.db2.gz CLOLNEWZFHLVQJ-UHFFFAOYSA-N 1 0 306.366 0.143 50 0 DCAARO O=C(Nc1cccnc1)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000110619051 395801213 /nfs/dbraw/zinc/80/12/13/395801213.db2.gz SEBLEXMEDDEHGQ-AEGPPILISA-N 1 0 314.389 0.963 50 0 DCAARO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)NC(N)=O)C[C@H](C)O1 ZINC000055870349 395923058 /nfs/dbraw/zinc/92/30/58/395923058.db2.gz TWKCIENIRPEZQC-TXEJJXNPSA-N 1 0 320.393 0.903 50 0 DCAARO C[NH+](C)C[C@H]1CN(C[C@@H](O)COc2ccc(F)cc2)CCO1 ZINC000229517573 395874435 /nfs/dbraw/zinc/87/44/35/395874435.db2.gz FXWJXDPHXCUOQR-ZBFHGGJFSA-N 1 0 312.385 0.828 50 0 DCAARO C[C@@H]1CN(C)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000230080814 395878000 /nfs/dbraw/zinc/87/80/00/395878000.db2.gz ZQRCBRVDZDVERT-OLZOCXBDSA-N 1 0 305.378 0.791 50 0 DCAARO Cc1ccc(OCC[N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000056677880 395932480 /nfs/dbraw/zinc/93/24/80/395932480.db2.gz KJEASNYCOOMLMC-UHFFFAOYSA-N 1 0 317.389 0.903 50 0 DCAARO O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000151563494 395988485 /nfs/dbraw/zinc/98/84/85/395988485.db2.gz FTHUPFMNJMGHFV-PWSUYJOCSA-N 1 0 318.295 0.967 50 0 DCAARO C[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000065440479 395993512 /nfs/dbraw/zinc/99/35/12/395993512.db2.gz IBNUTMCYOMSABI-AWEZNQCLSA-N 1 0 318.425 0.793 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccnc1SC ZINC000067490252 396026860 /nfs/dbraw/zinc/02/68/60/396026860.db2.gz ZNIZNJAPIMCBGJ-ONGXEEELSA-N 1 0 308.407 0.481 50 0 DCAARO COC[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1C(=O)N(C)C ZINC000253412425 396026985 /nfs/dbraw/zinc/02/69/85/396026985.db2.gz QYZJDUHQPPUYJH-GXTWGEPZSA-N 1 0 307.394 0.873 50 0 DCAARO COCC[C@H]1COCCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000253429375 396028545 /nfs/dbraw/zinc/02/85/45/396028545.db2.gz SBGCIYAKLDSGSM-QWHCGFSZSA-N 1 0 302.440 0.688 50 0 DCAARO CC(C)C[N@@H+]1CCCN(C(=O)CSc2nc(N)n[nH]2)CC1 ZINC000067642985 396029881 /nfs/dbraw/zinc/02/98/81/396029881.db2.gz CIBQDPFEITWBAP-UHFFFAOYSA-N 1 0 312.443 0.669 50 0 DCAARO Cn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000257181893 396034278 /nfs/dbraw/zinc/03/42/78/396034278.db2.gz GAKYEPXPUIMBGR-GOEBONIOSA-N 1 0 314.389 0.643 50 0 DCAARO CCn1c(=O)n(CCCn2cccn2)nc1[C@H]1CCC[NH2+]C1 ZINC000067847093 396036328 /nfs/dbraw/zinc/03/63/28/396036328.db2.gz OHNUZVWROAHYNV-ZDUSSCGKSA-N 1 0 304.398 0.819 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ncoc1C(C)C ZINC000067954536 396040744 /nfs/dbraw/zinc/04/07/44/396040744.db2.gz GXPDXPWMGGNZDK-QWRGUYRKSA-N 1 0 308.382 0.864 50 0 DCAARO CN(CCNC(=O)[C@@H]([NH3+])CC1CCCCC1)S(C)(=O)=O ZINC000067966227 396040797 /nfs/dbraw/zinc/04/07/97/396040797.db2.gz OEVQUQPMVULNMP-LBPRGKRZSA-N 1 0 305.444 0.292 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1c(OC)cccc1OC ZINC000067981731 396041629 /nfs/dbraw/zinc/04/16/29/396041629.db2.gz CJJKWSGWWPVFLO-MNOVXSKESA-N 1 0 321.377 0.382 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)CC2 ZINC000252079246 396019274 /nfs/dbraw/zinc/01/92/74/396019274.db2.gz FCAQUUAXCUOSSW-HZSPNIEDSA-N 1 0 324.425 0.301 50 0 DCAARO Cc1cc(NC(=O)C[NH2+][C@@H]2CCCN(c3cccnn3)C2)on1 ZINC000069738762 396088879 /nfs/dbraw/zinc/08/88/79/396088879.db2.gz FSPLXQBXCHVJMY-GFCCVEGCSA-N 1 0 316.365 0.970 50 0 DCAARO COc1ccccc1CNC(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000069844285 396091948 /nfs/dbraw/zinc/09/19/48/396091948.db2.gz OESQHUFATLYIBF-TZMCWYRMSA-N 1 0 319.405 0.897 50 0 DCAARO COC[C@H]1CN(S(=O)(=O)c2c[nH]cn2)CC12CC[NH2+]CC2 ZINC000169783616 396091960 /nfs/dbraw/zinc/09/19/60/396091960.db2.gz WKVRTFOLHTZXNY-LLVKDONJSA-N 1 0 314.411 0.046 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000069895050 396093553 /nfs/dbraw/zinc/09/35/53/396093553.db2.gz FCAQUUAXCUOSSW-RDBSUJKOSA-N 1 0 324.425 0.301 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069930059 396095508 /nfs/dbraw/zinc/09/55/08/396095508.db2.gz LCBWPUKLROQWCH-CYBMUJFWSA-N 1 0 300.428 0.629 50 0 DCAARO Cn1cc(C[C@@H]2CC(=O)N(CC[NH+]3CCCCC3)C2=O)cn1 ZINC000170614881 396095840 /nfs/dbraw/zinc/09/58/40/396095840.db2.gz WYBUUIKMEWTPTQ-CQSZACIVSA-N 1 0 304.394 0.824 50 0 DCAARO CC[N@H+](CC(=O)NC1CCN(c2nccn2C)CC1)C1CC1 ZINC000170617789 396096217 /nfs/dbraw/zinc/09/62/17/396096217.db2.gz HEAFJUIIFJJSRQ-UHFFFAOYSA-N 1 0 305.426 0.989 50 0 DCAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N2CCC(O)CC2)[nH]1 ZINC000071440085 396114436 /nfs/dbraw/zinc/11/44/36/396114436.db2.gz QSXSFXHVPABLCQ-KBPBESRZSA-N 1 0 320.437 0.909 50 0 DCAARO CCc1nc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](O)C2)ncc1C ZINC000071523620 396114665 /nfs/dbraw/zinc/11/46/65/396114665.db2.gz SPVDOPCBHUVPJJ-HZPDHXFCSA-N 1 0 319.453 0.534 50 0 DCAARO Cc1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)n(C)n1 ZINC000071818889 396115936 /nfs/dbraw/zinc/11/59/36/396115936.db2.gz ZRPOZTPBIGBONP-UHFFFAOYSA-N 1 0 306.410 0.913 50 0 DCAARO O=C(Cn1nc2ccccn2c1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839841 396118368 /nfs/dbraw/zinc/11/83/68/396118368.db2.gz BDDBCKUCCXYGBM-ZDUSSCGKSA-N 1 0 315.377 0.193 50 0 DCAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N(C)C)nc2)C1 ZINC000071841837 396118438 /nfs/dbraw/zinc/11/84/38/396118438.db2.gz MBHRDFKLRPNZCA-CYBMUJFWSA-N 1 0 306.410 0.846 50 0 DCAARO Cc1cnn(CC[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000071872136 396120500 /nfs/dbraw/zinc/12/05/00/396120500.db2.gz YTCIRBHRTOHRQX-ZDUSSCGKSA-N 1 0 319.361 0.950 50 0 DCAARO C[C@@H]([NH2+]CCn1cccn1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000072267810 396128075 /nfs/dbraw/zinc/12/80/75/396128075.db2.gz CMUMACVTGDEJGY-GFCCVEGCSA-N 1 0 316.361 0.906 50 0 DCAARO Cc1nc2n(n1)C[C@@H]([NH2+]CC(=O)N(C)Cc1ccco1)CC2 ZINC000072268029 396128382 /nfs/dbraw/zinc/12/83/82/396128382.db2.gz KECRCEWAGRGHBJ-LBPRGKRZSA-N 1 0 303.366 0.743 50 0 DCAARO O=C(CC[NH2+]C[C@H]1CCCN1c1cccnn1)N1CCOCC1 ZINC000072276765 396129154 /nfs/dbraw/zinc/12/91/54/396129154.db2.gz XCWBFJGSCXGTDM-CQSZACIVSA-N 1 0 319.409 0.284 50 0 DCAARO COCCn1cnnc1CNc1ncnc2c1CC[NH2+]CC2 ZINC000072407628 396131364 /nfs/dbraw/zinc/13/13/64/396131364.db2.gz VVNKOJSAPOZJLO-UHFFFAOYSA-N 1 0 303.370 0.015 50 0 DCAARO CCn1ccnc1CN1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000069420638 396078274 /nfs/dbraw/zinc/07/82/74/396078274.db2.gz LUDSGCGOKGWFBA-UHFFFAOYSA-N 1 0 301.398 0.906 50 0 DCAARO COCC[N@H+](C)CCNC(=O)Cn1cnc2ccccc2c1=O ZINC000069594554 396084489 /nfs/dbraw/zinc/08/44/89/396084489.db2.gz NKDZEGDQZYKXLT-UHFFFAOYSA-N 1 0 318.377 0.091 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)CC1 ZINC000076055634 396194720 /nfs/dbraw/zinc/19/47/20/396194720.db2.gz BFMDOGMBRFWSQA-ZBFHGGJFSA-N 1 0 322.453 0.093 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@@H]2C)CC1 ZINC000076055842 396195074 /nfs/dbraw/zinc/19/50/74/396195074.db2.gz SBGNEVQJFNBQJB-SUMWQHHRSA-N 1 0 317.437 0.769 50 0 DCAARO C[C@H](C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1)C(=O)OCCO ZINC000078995955 396259324 /nfs/dbraw/zinc/25/93/24/396259324.db2.gz VUJICXWPYPGXSV-KGLIPLIRSA-N 1 0 314.426 0.343 50 0 DCAARO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O)o1 ZINC000079112760 396261683 /nfs/dbraw/zinc/26/16/83/396261683.db2.gz RMINARGDGYSBSC-GHMZBOCLSA-N 1 0 302.396 0.788 50 0 DCAARO Cc1ccc([C@H](C)[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O)o1 ZINC000079112765 396261828 /nfs/dbraw/zinc/26/18/28/396261828.db2.gz RMINARGDGYSBSC-QWRGUYRKSA-N 1 0 302.396 0.788 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000077425390 396221737 /nfs/dbraw/zinc/22/17/37/396221737.db2.gz IEMUGTNZDVMDJE-CABCVRRESA-N 1 0 307.369 0.587 50 0 DCAARO O[C@]1(CNCc2csc(N3CCCC3)n2)C[NH2+]CCOC1 ZINC000077427814 396221977 /nfs/dbraw/zinc/22/19/77/396221977.db2.gz FBZSNGXIAHUGAY-AWEZNQCLSA-N 1 0 312.439 0.184 50 0 DCAARO Cc1cnn(CC2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)c1 ZINC000077541359 396225469 /nfs/dbraw/zinc/22/54/69/396225469.db2.gz QYOXUXHVHYAEGF-UHFFFAOYSA-N 1 0 317.397 0.294 50 0 DCAARO C[C@@H](O)[C@H]([NH3+])C(=O)N1CCN(c2ccccc2Cl)C(=O)C1 ZINC000082091855 396310962 /nfs/dbraw/zinc/31/09/62/396310962.db2.gz LKDHCJMQACTFQU-RNCFNFMXSA-N 1 0 311.769 0.223 50 0 DCAARO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000269555388 396424290 /nfs/dbraw/zinc/42/42/90/396424290.db2.gz PGHUQIGPWGTRDU-DLBZAZTESA-N 1 0 318.417 0.948 50 0 DCAARO COc1cccc2c(=O)n(C[C@H](O)C[NH+]3CCCC3)cnc12 ZINC000584890975 396634120 /nfs/dbraw/zinc/63/41/20/396634120.db2.gz DHXPTOLFYHJINW-GFCCVEGCSA-N 1 0 303.362 0.862 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)N[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000584902379 396637401 /nfs/dbraw/zinc/63/74/01/396637401.db2.gz IZMZYVAEAOLJCM-OAHLLOKOSA-N 1 0 316.405 0.824 50 0 DCAARO C[C@@H](C(=O)N(C)Cc1ccc2c(c1)C[N@@H+](C)C2)n1cnnn1 ZINC000584904109 396637732 /nfs/dbraw/zinc/63/77/32/396637732.db2.gz FHWFYPGGAVFDRX-NSHDSACASA-N 1 0 300.366 0.838 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000606441814 397681165 /nfs/dbraw/zinc/68/11/65/397681165.db2.gz YTYZXGUDLRPPOB-JECSTDCCSA-N 1 0 323.418 0.428 50 0 DCAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000040490107 415197365 /nfs/dbraw/zinc/19/73/65/415197365.db2.gz NIUZIWCOHFOZQB-IAQYHMDHSA-N 1 0 317.389 0.996 50 0 DCAARO CCc1nnsc1C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000044941493 415236337 /nfs/dbraw/zinc/23/63/37/415236337.db2.gz GGSIGQSOJZPXQC-NSHDSACASA-N 1 0 311.455 0.856 50 0 DCAARO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000269263529 415247980 /nfs/dbraw/zinc/24/79/80/415247980.db2.gz SKCALJRYXJQSLG-XUWVNRHRSA-N 1 0 304.390 0.993 50 0 DCAARO O=C(NCc1ccc(F)cc1Br)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000269241845 415249936 /nfs/dbraw/zinc/24/99/36/415249936.db2.gz IFFYCDVQQRRLRT-ONGXEEELSA-N 1 0 317.158 0.927 50 0 DCAARO O=C(NCCNc1ncccn1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047058367 415266489 /nfs/dbraw/zinc/26/64/89/415266489.db2.gz QIFFUTJUNREIHS-CHWSQXEVSA-N 1 0 304.398 0.815 50 0 DCAARO O[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)COc1ccccc1 ZINC000058307297 415340141 /nfs/dbraw/zinc/34/01/41/415340141.db2.gz JWLBVYVCBGYCSR-KBPBESRZSA-N 1 0 302.378 0.954 50 0 DCAARO C[C@@H]1C[N@H+](C2CCN(C(=O)CCn3cnnc3)CC2)C[C@H](C)O1 ZINC000072408775 415415993 /nfs/dbraw/zinc/41/59/93/415415993.db2.gz XVSQDDAEMONNRG-OKILXGFUSA-N 1 0 321.425 0.768 50 0 DCAARO Cn1nc([C@H]2CCCN(C(=O)C[NH3+])C2)n(-c2ccccc2)c1=O ZINC000067560260 415380104 /nfs/dbraw/zinc/38/01/04/415380104.db2.gz PROGIKFPAJXCPJ-LBPRGKRZSA-N 1 0 315.377 0.236 50 0 DCAARO C[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@H]1[NH+](C)C ZINC000084714324 415500091 /nfs/dbraw/zinc/50/00/91/415500091.db2.gz DJMWXHPNQTWQNM-SWLSCSKDSA-N 1 0 314.389 0.805 50 0 DCAARO C[NH+](C)CCNC(=O)CN1CCn2c3ccccc3nc2C1 ZINC000075567751 415447725 /nfs/dbraw/zinc/44/77/25/415447725.db2.gz KBKMUCCIGINMKP-UHFFFAOYSA-N 1 0 301.394 0.530 50 0 DCAARO Nc1n[nH]c(CNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)n1 ZINC000095358444 415553403 /nfs/dbraw/zinc/55/34/03/415553403.db2.gz MNRWXEGWUCJXRD-LBPRGKRZSA-N 1 0 300.366 0.784 50 0 DCAARO CCn1cncc1Cn1ncc(N2CCC(C[NH3+])CC2)cc1=O ZINC000095374300 415557661 /nfs/dbraw/zinc/55/76/61/415557661.db2.gz BOXFWQZTNBZHII-UHFFFAOYSA-N 1 0 316.409 0.683 50 0 DCAARO C[NH+]1CCN(Cc2cc(=O)n3nc(-c4ccccc4)nc3[nH]2)CC1 ZINC000101747155 415594733 /nfs/dbraw/zinc/59/47/33/415594733.db2.gz GRMQLOMBTVYQJO-UHFFFAOYSA-N 1 0 324.388 0.832 50 0 DCAARO CC[C@@H]1CN(Cc2nc(CCOC)no2)CC[N@@H+]1C[C@H](C)O ZINC000106906972 415652272 /nfs/dbraw/zinc/65/22/72/415652272.db2.gz WGAMWMKEWXIOPE-QWHCGFSZSA-N 1 0 312.414 0.536 50 0 DCAARO NC(=O)CC[N@@H+]1CCN(Cc2ccccc2F)[C@H](CCO)C1 ZINC000106993627 415657820 /nfs/dbraw/zinc/65/78/20/415657820.db2.gz XRHJDSWGJIYJPR-CQSZACIVSA-N 1 0 309.385 0.570 50 0 DCAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Cn1nc2ccccc2n1 ZINC000299772199 416066321 /nfs/dbraw/zinc/06/63/21/416066321.db2.gz RXKRSDUIBLUFKI-GJZGRUSLSA-N 1 0 317.393 0.655 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)c2cccn3cnnc23)CC1 ZINC000299788825 416068928 /nfs/dbraw/zinc/06/89/28/416068928.db2.gz WBBNMSHCAOWBNX-UHFFFAOYSA-N 1 0 317.393 0.818 50 0 DCAARO [NH3+]CCCOc1ccc(C(=O)NCCN2CCCOC2=O)cc1 ZINC000299791720 416070077 /nfs/dbraw/zinc/07/00/77/416070077.db2.gz FILIJOLHSJICQF-UHFFFAOYSA-N 1 0 321.377 0.986 50 0 DCAARO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CC[NH+]1CCN(C)CC1 ZINC000299796816 416071989 /nfs/dbraw/zinc/07/19/89/416071989.db2.gz OAGFFRQNQDCPIP-GFCCVEGCSA-N 1 0 307.442 0.852 50 0 DCAARO C[C@H](CCc1ccccc1)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000170591824 416026953 /nfs/dbraw/zinc/02/69/53/416026953.db2.gz NFBJQXGKRMJKOT-GDBMZVCRSA-N 1 0 315.417 0.898 50 0 DCAARO C[C@@H](CN1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccc(F)cc1 ZINC000195573049 416326847 /nfs/dbraw/zinc/32/68/47/416326847.db2.gz HOYVCXUCIRCGPE-SMDDNHRTSA-N 1 0 305.353 0.572 50 0 DCAARO O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238012824 416329438 /nfs/dbraw/zinc/32/94/38/416329438.db2.gz YRDFLRLMRMKANH-YPMHNXCESA-N 1 0 304.325 0.350 50 0 DCAARO CC[N@@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](C)C1 ZINC000240321589 416330188 /nfs/dbraw/zinc/33/01/88/416330188.db2.gz FAOHNNQXIIHULG-GFCCVEGCSA-N 1 0 315.377 0.344 50 0 DCAARO CCn1ccnc1C[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000242167710 416330529 /nfs/dbraw/zinc/33/05/29/416330529.db2.gz WYTLUMXEHPGCAE-NEPJUHHUSA-N 1 0 300.428 0.663 50 0 DCAARO COCCn1cnnc1CCNC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000244701029 416330865 /nfs/dbraw/zinc/33/08/65/416330865.db2.gz JYSHKEYRHSFQGT-CYBMUJFWSA-N 1 0 309.414 0.315 50 0 DCAARO O=C(Cc1cscn1)N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244795092 416331094 /nfs/dbraw/zinc/33/10/94/416331094.db2.gz QZIWNRPPKOOPOD-WHOFXGATSA-N 1 0 309.435 0.941 50 0 DCAARO Cc1cc(N2CCN(C(=O)C[C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000426563039 416773683 /nfs/dbraw/zinc/77/36/83/416773683.db2.gz ASRODKOLKSFOTK-GFCCVEGCSA-N 1 0 305.382 0.442 50 0 DCAARO Cc1ccn2c(c1)nc(C(=O)N1C[C@@H]3[NH2+]CCO[C@H]3C1)c2F ZINC000426667723 416778483 /nfs/dbraw/zinc/77/84/83/416778483.db2.gz YOCYZKMIBALRCZ-QWRGUYRKSA-N 1 0 304.325 0.595 50 0 DCAARO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000528635473 417369816 /nfs/dbraw/zinc/36/98/16/417369816.db2.gz BLMSUEHWXFNKMO-CABCVRRESA-N 1 0 309.410 0.498 50 0 DCAARO CC(=O)OC(C)(C)C(=O)NCC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000575617155 417541011 /nfs/dbraw/zinc/54/10/11/417541011.db2.gz ZUJUFVQOLGSMTK-CQSZACIVSA-N 1 0 312.410 0.945 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)[C@H](C)CO1 ZINC000299739144 229372122 /nfs/dbraw/zinc/37/21/22/229372122.db2.gz LDSZKMKBOADNCS-BZPMIXESSA-N 1 0 313.423 0.630 50 0 DCAARO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000065440476 277047970 /nfs/dbraw/zinc/04/79/70/277047970.db2.gz IBNUTMCYOMSABI-CQSZACIVSA-N 1 0 318.425 0.793 50 0 DCAARO CC(C)C[NH+]1CCC(C(=O)N2CCN(C[C@H](C)O)CC2)CC1 ZINC000069632095 277382905 /nfs/dbraw/zinc/38/29/05/277382905.db2.gz AUSHOJFFUJCBHR-HNNXBMFYSA-N 1 0 311.470 0.879 50 0 DCAARO C[C@H](CNS(=O)(=O)N1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000107572907 278208650 /nfs/dbraw/zinc/20/86/50/278208650.db2.gz YHEABSAPVWVBMY-QWHCGFSZSA-N 1 0 305.444 0.416 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000106746202 279314449 /nfs/dbraw/zinc/31/44/49/279314449.db2.gz SBNHFUFYZHDHQL-JHJVBQTASA-N 1 0 305.444 0.414 50 0 DCAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000237408491 288190061 /nfs/dbraw/zinc/19/00/61/288190061.db2.gz JJEQNEGSXYMHMX-KBXIAJHMSA-N 1 0 311.426 0.075 50 0 DCAARO COc1ccc(CCN(C)C(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1OC ZINC000097713567 295119387 /nfs/dbraw/zinc/11/93/87/295119387.db2.gz OLEIQTUXRLUYBK-CHWSQXEVSA-N 1 0 308.378 0.428 50 0 DCAARO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000238020057 295256252 /nfs/dbraw/zinc/25/62/52/295256252.db2.gz GIRKANJYKSCDEZ-FZMZJTMJSA-N 1 0 323.418 0.378 50 0 DCAARO CC[NH+]1CCN(CC(=O)N[C@@H](CC(C)C)c2ncnn2C)CC1 ZINC000534581074 334289310 /nfs/dbraw/zinc/28/93/10/334289310.db2.gz ZMMXUIOFGDVPCA-AWEZNQCLSA-N 1 0 322.457 0.656 50 0 DCAARO O=S(=O)(CCOc1ccccc1F)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000534641767 334305611 /nfs/dbraw/zinc/30/56/11/334305611.db2.gz BBFSVHNQTQZQDO-WCQYABFASA-N 1 0 314.382 0.828 50 0 DCAARO CCn1nc(CO)c2c1CCN(C(=O)NCC[C@@H](C)[NH+](C)C)C2 ZINC000534646459 334306095 /nfs/dbraw/zinc/30/60/95/334306095.db2.gz XGGCFLQYNSYABJ-GFCCVEGCSA-N 1 0 323.441 0.803 50 0 DCAARO COC[C@@H](NC(=O)CCN1CC[NH+](C)CC1)c1ccccn1 ZINC000534639336 334310468 /nfs/dbraw/zinc/31/04/68/334310468.db2.gz BUGCPRVJXQGGAR-OAHLLOKOSA-N 1 0 306.410 0.523 50 0 DCAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)CCC(=O)Nc1cccc(F)c1 ZINC000534654321 334313200 /nfs/dbraw/zinc/31/32/00/334313200.db2.gz RMIUQAZFPFJZSK-STQMWFEESA-N 1 0 309.341 0.647 50 0 DCAARO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1=O ZINC000299749369 534038786 /nfs/dbraw/zinc/03/87/86/534038786.db2.gz KCDJNOOAJDGFQD-UQOMUDLDSA-N 1 0 301.390 0.682 50 0 DCAARO C[C@@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)C[C@H](C)[NH2+]1 ZINC000153787290 534303628 /nfs/dbraw/zinc/30/36/28/534303628.db2.gz BZQVRZAEDMGPRS-BETUJISGSA-N 1 0 314.389 0.995 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@@H](C)[NH2+]1 ZINC000153866866 534424837 /nfs/dbraw/zinc/42/48/37/534424837.db2.gz CFCGMVJDKUCXJV-RKDXNWHRSA-N 1 0 302.334 0.039 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])o1 ZINC000156966446 522275700 /nfs/dbraw/zinc/27/57/00/522275700.db2.gz YQXCLIUGKVWRRH-UWVGGRQHSA-N 1 0 315.395 0.387 50 0 DCAARO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000237393607 522299658 /nfs/dbraw/zinc/29/96/58/522299658.db2.gz WJRXCIIGMGZTAZ-NEPJUHHUSA-N 1 0 323.418 0.611 50 0 DCAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1CO ZINC000091255672 522880777 /nfs/dbraw/zinc/88/07/77/522880777.db2.gz KJHCSEGHONXAIG-ZIAGYGMSSA-N 1 0 312.435 0.282 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000124644036 525091786 /nfs/dbraw/zinc/09/17/86/525091786.db2.gz ROEOAXGZOSSNLV-HWPZZCPQSA-N 1 0 316.361 0.175 50 0 DCAARO CN(Cc1nnc(C2CC2)o1)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC000083867881 545699021 /nfs/dbraw/zinc/69/90/21/545699021.db2.gz LRSWAKKTTCPJPD-ZDUSSCGKSA-N 1 0 317.397 0.745 50 0 DCAARO Cc1ccc(=O)n(CC(=O)N2C[C@H]([NH+](C)C)[C@@H](C3CC3)C2)n1 ZINC000091288946 545718935 /nfs/dbraw/zinc/71/89/35/545718935.db2.gz KDCOSMVDRZHMAZ-KGLIPLIRSA-N 1 0 304.394 0.350 50 0 DCAARO [NH3+]CCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000247754165 545968046 /nfs/dbraw/zinc/96/80/46/545968046.db2.gz VJCZCIREHNJHFR-UONOGXRCSA-N 1 0 300.362 0.433 50 0 DCAARO COc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c(OC)n1 ZINC000670462338 547099501 /nfs/dbraw/zinc/09/95/01/547099501.db2.gz SCHYZJWGZZXBIT-LBPRGKRZSA-N 1 0 323.393 0.675 50 0 DCAARO CC(C)(CN1CCOCC1)NC(=O)C1(Cn2ccnc2)CC1 ZINC000670471875 547101888 /nfs/dbraw/zinc/10/18/88/547101888.db2.gz CVJVNRCDOTYXPD-UHFFFAOYSA-N 1 0 306.410 0.890 50 0 DCAARO Cn1nc(C2CC2)nc1Cn1cc(O[C@@H]2COC[C@@H]2[NH3+])cn1 ZINC000685943142 548747887 /nfs/dbraw/zinc/74/78/87/548747887.db2.gz RZSHKDICVPSXOS-NWDGAFQWSA-N 1 0 304.354 0.042 50 0 DCAARO CNC(=O)[C@H]1CN(Cc2ccc3c(c2)CCC(=O)N3C)CCO1 ZINC000187372233 658418162 /nfs/dbraw/zinc/41/81/62/658418162.db2.gz HBKAFIOUDICCDE-OAHLLOKOSA-N 1 0 317.389 0.542 50 0 DCAARO CC[NH+]1CCN(CC(=O)N[C@H](C)c2nncn2C(C)C)CC1 ZINC000299794059 659647991 /nfs/dbraw/zinc/64/79/91/659647991.db2.gz IMTHEBKTQZIVQV-CYBMUJFWSA-N 1 0 308.430 0.674 50 0 DCAARO CN(CCc1ccccn1)C(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000426386329 661562034 /nfs/dbraw/zinc/56/20/34/661562034.db2.gz NBFONHGCYVTYEP-HNNXBMFYSA-N 1 0 320.437 0.970 50 0 DCAARO COc1ncc(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cn1 ZINC000952968836 685598993 /nfs/dbraw/zinc/59/89/93/685598993.db2.gz DQHNUFVINNJECY-OAHLLOKOSA-N 1 0 319.453 0.945 50 0 DCAARO CO[C@H](C)C(=O)N1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000952972958 685599917 /nfs/dbraw/zinc/59/99/17/685599917.db2.gz VUZBAWVEVUDVPR-CYBMUJFWSA-N 1 0 311.426 0.472 50 0 DCAARO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)s1 ZINC001772702591 1157841622 /nfs/dbraw/zinc/84/16/22/1157841622.db2.gz UGPOGGOYENDTQU-CMPLNLGQSA-N 1 0 302.421 0.259 50 0 DCAARO Cn1nc(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)c2ccccc21 ZINC001704310036 1179969627 /nfs/dbraw/zinc/96/96/27/1179969627.db2.gz NYPNRAJCNVUHRH-STQMWFEESA-N 1 0 314.389 0.976 50 0 DCAARO C[N@@H+]1C[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)c(F)c1)C2 ZINC001704332096 1179976384 /nfs/dbraw/zinc/97/63/84/1179976384.db2.gz ORFQJIGZJBVYLL-OLZOCXBDSA-N 1 0 308.353 0.863 50 0 DCAARO COCCOCCN1CCC([N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000824447758 758773756 /nfs/dbraw/zinc/77/37/56/758773756.db2.gz KBPNUAIXNKHZDQ-AWEZNQCLSA-N 1 0 314.426 0.910 50 0 DCAARO CS(=O)(=O)N1CC[C@H](CC(=O)NCC[NH+]2CCCCC2)C1 ZINC000581783261 760249954 /nfs/dbraw/zinc/24/99/54/760249954.db2.gz NFDXXXUVZCMSTF-CYBMUJFWSA-N 1 0 317.455 0.260 50 0 DCAARO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[NH2+][C@H](CCO)C1 ZINC000952884296 768951919 /nfs/dbraw/zinc/95/19/19/768951919.db2.gz ZHIFJNWABZJJGJ-MJBXVCDLSA-N 1 0 300.399 0.143 50 0 DCAARO O=C(c1cncc(F)c1)N1CCC[N@H+](C[C@H]2COCCO2)CC1 ZINC001529167375 1014511399 /nfs/dbraw/zinc/51/13/99/1014511399.db2.gz HWEGFXXVIFVXNF-HNNXBMFYSA-N 1 0 323.368 0.784 50 0 DCAARO O=C(CCCN1CCCCC1=O)N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001506400911 1017255271 /nfs/dbraw/zinc/25/52/71/1017255271.db2.gz LOPQVYBUBMIADM-AWEZNQCLSA-N 1 0 323.437 0.806 50 0 DCAARO CO[C@@H](C)c1nnc(NC(=O)CN2CCC[N@H+](C)CC2)s1 ZINC001506405617 1017254623 /nfs/dbraw/zinc/25/46/23/1017254623.db2.gz KNKOROCIMHVPIJ-JTQLQIEISA-N 1 0 313.427 0.822 50 0 DCAARO CCCC[C@H]1C(=O)N(C)CCN1C(=O)C1(O)CC[NH+](C)CC1 ZINC001506400747 1017256803 /nfs/dbraw/zinc/25/68/03/1017256803.db2.gz WWLPZYONZIABCB-ZDUSSCGKSA-N 1 0 311.426 0.303 50 0 DCAARO O[C@H]1CN(c2ncc(F)c(N3CCCC3)n2)C[C@@H]1[NH+]1CCCC1 ZINC001506408714 1017258895 /nfs/dbraw/zinc/25/88/95/1017258895.db2.gz ZOQKUAWGDPTWOL-KBPBESRZSA-N 1 0 321.400 0.861 50 0 DCAARO NC(=O)Cn1ccnc1[C@H]1CCC[N@H+](CCC(=O)NC2CC2)C1 ZINC000095508910 185375957 /nfs/dbraw/zinc/37/59/57/185375957.db2.gz DOLKHUPYOWWVLD-LBPRGKRZSA-N 1 0 319.409 0.217 50 0 DCAARO CN(C)C(=O)N1CCn2nc(C[NH2+]C3CCOCC3)cc2C1 ZINC000082157558 185174106 /nfs/dbraw/zinc/17/41/06/185174106.db2.gz QPMSMHCRTFZVSD-UHFFFAOYSA-N 1 0 307.398 0.649 50 0 DCAARO Cn1cc(CNC(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)cn1 ZINC000082157548 185174204 /nfs/dbraw/zinc/17/42/04/185174204.db2.gz FRORQXRENHTKAC-ZDUSSCGKSA-N 1 0 317.397 0.474 50 0 DCAARO Cn1cc(CC[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cn1 ZINC000095402701 185355026 /nfs/dbraw/zinc/35/50/26/185355026.db2.gz BDMZUTVHNDQQDC-LBPRGKRZSA-N 1 0 302.382 0.664 50 0 DCAARO C[C@@H]1CNC(=O)CC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000067513596 190710696 /nfs/dbraw/zinc/71/06/96/190710696.db2.gz ZSBXYETTZZCOGO-LLVKDONJSA-N 1 0 310.423 0.690 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)NCCc1nc(-c2ccccn2)no1 ZINC000072146111 191053673 /nfs/dbraw/zinc/05/36/73/191053673.db2.gz RGSSKNMFPMHXDO-NSHDSACASA-N 1 0 317.349 0.169 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCCN(c2nnnn2-c2ccccc2)CC1 ZINC000072174082 191069799 /nfs/dbraw/zinc/06/97/99/191069799.db2.gz KWZAEYIQAGIFNC-MRXNPFEDSA-N 1 0 316.409 0.945 50 0 DCAARO O=C(CN1CCOc2ccccc2C1)N1CCC[C@](O)(CO)C1 ZINC000072172610 191069858 /nfs/dbraw/zinc/06/98/58/191069858.db2.gz QPWYLXVWVWEIAR-QGZVFWFLSA-N 1 0 320.389 0.227 50 0 DCAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC000237445362 186289933 /nfs/dbraw/zinc/28/99/33/186289933.db2.gz FIRCOJKIVWVVDA-RYUDHWBXSA-N 1 0 300.366 0.862 50 0 DCAARO C[C@@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)[C@H]1C[NH3+] ZINC000237503098 186298176 /nfs/dbraw/zinc/29/81/76/186298176.db2.gz UAQYMYODPHYQKM-YPMHNXCESA-N 1 0 302.440 0.930 50 0 DCAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCC[C@@H]1CC[NH+](C)C ZINC000072424097 191160093 /nfs/dbraw/zinc/16/00/93/191160093.db2.gz AXCINAVMKPHUNE-GFCCVEGCSA-N 1 0 322.409 0.247 50 0 DCAARO Cc1nc(C2CCN(C(=O)C[NH3+])CC2)cc(N2CCOCC2)n1 ZINC000072427260 191161786 /nfs/dbraw/zinc/16/17/86/191161786.db2.gz BQMWHGGMUQCJHT-UHFFFAOYSA-N 1 0 319.409 0.286 50 0 DCAARO Cc1cc2nc(C)cc(NCC[N@@H+]3CCC[C@H](C(N)=O)C3)n2n1 ZINC000072429395 191163331 /nfs/dbraw/zinc/16/33/31/191163331.db2.gz DYAWDVANFBMWME-ZDUSSCGKSA-N 1 0 316.409 0.955 50 0 DCAARO COCC[C@@H]1CN(c2nc(C)nc3c2CC[NH2+]CC3)CCO1 ZINC000072480440 191181228 /nfs/dbraw/zinc/18/12/28/191181228.db2.gz QCRUDYUADLUVBR-CYBMUJFWSA-N 1 0 306.410 0.715 50 0 DCAARO Cn1nnnc1SCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000004999748 181188249 /nfs/dbraw/zinc/18/82/49/181188249.db2.gz RVWHSNPIEGOUBI-UHFFFAOYSA-N 1 0 307.379 0.863 50 0 DCAARO Cn1ncc(N2CCO[C@@H](CC[NH2+]C3CCCC3)C2)cc1=O ZINC000077522747 191731850 /nfs/dbraw/zinc/73/18/50/191731850.db2.gz LTYNEDQGCPRFLM-HNNXBMFYSA-N 1 0 306.410 0.908 50 0 DCAARO CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000236947679 202086550 /nfs/dbraw/zinc/08/65/50/202086550.db2.gz KNNVKCPKYQHZJY-NEPJUHHUSA-N 1 0 305.444 0.244 50 0 DCAARO C[C@H](CC(=O)N1CC[C@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000237542773 202276381 /nfs/dbraw/zinc/27/63/81/202276381.db2.gz UIZWKWKSRWSBJX-PWSUYJOCSA-N 1 0 314.382 0.938 50 0 DCAARO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238001859 202415561 /nfs/dbraw/zinc/41/55/61/202415561.db2.gz ZDUUSKXYNVJILK-ZHAHWJHGSA-N 1 0 319.188 0.866 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)n2cccc2c1=O ZINC000006799581 181390670 /nfs/dbraw/zinc/39/06/70/181390670.db2.gz JFRAJKDTJSTEHJ-ZDUSSCGKSA-N 1 0 317.393 0.405 50 0 DCAARO CCc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)cc1 ZINC000091364778 193046336 /nfs/dbraw/zinc/04/63/36/193046336.db2.gz DTNBSGTUHSDTEE-IAGOWNOFSA-N 1 0 320.433 0.854 50 0 DCAARO CCn1ncc(C(=O)N[C@H]2C[N@H+](CCO)C[C@@H]2C2CC2)c1C ZINC000091381967 193048459 /nfs/dbraw/zinc/04/84/59/193048459.db2.gz SZYFKKKBZXNAHV-CABCVRRESA-N 1 0 306.410 0.644 50 0 DCAARO Cn1ccnc1CN1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000091410709 193051877 /nfs/dbraw/zinc/05/18/77/193051877.db2.gz SPFLYVZSVXNGMT-HZPDHXFCSA-N 1 0 321.469 0.098 50 0 DCAARO CCC[C@H]1CN(C(=O)c2ccnc(-n3cnnc3)c2)C[C@@H]1[NH3+] ZINC000091707885 193095347 /nfs/dbraw/zinc/09/53/47/193095347.db2.gz VKECGOBKBFYRRU-STQMWFEESA-N 1 0 300.366 0.862 50 0 DCAARO COc1ccccc1OC1CN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000091873332 193120805 /nfs/dbraw/zinc/12/08/05/193120805.db2.gz SZYMCKKDDSPLSI-GFCCVEGCSA-N 1 0 306.362 0.663 50 0 DCAARO CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091951770 193130915 /nfs/dbraw/zinc/13/09/15/193130915.db2.gz KLWQMYNXIMAEKM-LSDHHAIUSA-N 1 0 324.450 0.784 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nnc(-c2ccccc2)s1 ZINC000091951401 193131598 /nfs/dbraw/zinc/13/15/98/193131598.db2.gz ULLWOERSKXHINV-MNOVXSKESA-N 1 0 303.391 0.857 50 0 DCAARO CC[N@H+](CCO)C[C@@H]1CN(c2nc(C)cc(C)n2)C[C@@H]1CO ZINC000092020929 193143235 /nfs/dbraw/zinc/14/32/35/193143235.db2.gz OJLZHDCUVAYTMO-HUUCEWRRSA-N 1 0 308.426 0.452 50 0 DCAARO C[N@H+](CCO)C[C@@H]1CN(c2ncnc3ccsc32)C[C@@H]1CO ZINC000092062146 193150772 /nfs/dbraw/zinc/15/07/72/193150772.db2.gz SCEXMAUNUDVBCG-VXGBXAGGSA-N 1 0 322.434 0.660 50 0 DCAARO CC(C)[C@H]1CN(c2cc(N3CCC(O)CC3)ncn2)C[C@@H]1[NH3+] ZINC000092098999 193158463 /nfs/dbraw/zinc/15/84/63/193158463.db2.gz UHOCKRWJNRLVFA-KGLIPLIRSA-N 1 0 305.426 0.857 50 0 DCAARO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCCNS(C)(=O)=O ZINC000089919304 284002719 /nfs/dbraw/zinc/00/27/19/284002719.db2.gz ILNYIEBUZQTOQJ-WCQYABFASA-N 1 0 306.428 0.637 50 0 DCAARO CNC(=O)c1noc(CNC(=O)CCC[NH+]2CCCCC2)n1 ZINC000095355573 193428327 /nfs/dbraw/zinc/42/83/27/193428327.db2.gz XFLFXAKYLXKAEH-UHFFFAOYSA-N 1 0 309.370 0.312 50 0 DCAARO CN(C)c1ccccc1C(=O)NCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000020204261 182197429 /nfs/dbraw/zinc/19/74/29/182197429.db2.gz LELPRFVTIVXSHZ-CYBMUJFWSA-N 1 0 318.421 0.680 50 0 DCAARO COC[C@H](O)C[N@H+](CCO)C[C@@H](O)Cn1ccc2ccccc21 ZINC000021364644 182272778 /nfs/dbraw/zinc/27/27/78/182272778.db2.gz QHFPUUSVICKZOS-HZPDHXFCSA-N 1 0 322.405 0.304 50 0 DCAARO CC[NH+]1CCN(CC(=O)NC(=O)Nc2ccc(OC)cc2)CC1 ZINC000024164666 182375643 /nfs/dbraw/zinc/37/56/43/182375643.db2.gz ITXNEASITXCWPB-UHFFFAOYSA-N 1 0 320.393 0.981 50 0 DCAARO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCN2C(=O)NC[C@H]2C1 ZINC000095962710 284535988 /nfs/dbraw/zinc/53/59/88/284535988.db2.gz ILHVLGBEXZTQOW-GXTWGEPZSA-N 1 0 300.362 0.109 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncc2ccccc2c1=O ZINC000040496633 183081309 /nfs/dbraw/zinc/08/13/09/183081309.db2.gz XGUHPWDVIPPJTP-AWEZNQCLSA-N 1 0 314.389 0.997 50 0 DCAARO C[N@@H+]1CCN(Cc2cccn2-c2ncccn2)C[C@H]1CCO ZINC000104378297 194004032 /nfs/dbraw/zinc/00/40/32/194004032.db2.gz QNZAZXXEWGOPCZ-CQSZACIVSA-N 1 0 301.394 0.766 50 0 DCAARO Cn1c(=O)cc(C[N@H+](C)CCOc2ccccc2F)n(C)c1=O ZINC000056656726 184016957 /nfs/dbraw/zinc/01/69/57/184016957.db2.gz UYOFYZAYKMVEPW-UHFFFAOYSA-N 1 0 321.352 0.734 50 0 DCAARO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(n2cncn2)CC1 ZINC000058166849 184083139 /nfs/dbraw/zinc/08/31/39/184083139.db2.gz RXZVPISHIREZIU-LLVKDONJSA-N 1 0 322.413 0.928 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H]1CO)NC[C@H]1COc2ccccc2O1 ZINC000063512517 184284393 /nfs/dbraw/zinc/28/43/93/184284393.db2.gz BSYDPSFPONLUCZ-OLZOCXBDSA-N 1 0 306.362 0.399 50 0 DCAARO CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(OC)cc1 ZINC000065314952 184324656 /nfs/dbraw/zinc/32/46/56/184324656.db2.gz DLZPWXRDQSZPHM-UHFFFAOYSA-N 1 0 319.405 0.979 50 0 DCAARO Cc1cc(C)n(CC[NH2+][C@H](C)C(=O)Nc2nccs2)c(=O)n1 ZINC000065432901 184343897 /nfs/dbraw/zinc/34/38/97/184343897.db2.gz KVXGJTPTMHNFAE-LLVKDONJSA-N 1 0 321.406 0.933 50 0 DCAARO CNC(=O)Nc1nc(CN2CC[NH2+]CC2)nc2ccccc21 ZINC000065456884 184347619 /nfs/dbraw/zinc/34/76/19/184347619.db2.gz LFJDSCPJKJOSLD-UHFFFAOYSA-N 1 0 300.366 0.786 50 0 DCAARO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cnccn1 ZINC000065495815 184354815 /nfs/dbraw/zinc/35/48/15/184354815.db2.gz WIPKOTJCKSIARM-UHFFFAOYSA-N 1 0 308.382 0.822 50 0 DCAARO CC1CC[NH+](C[C@@H](O)CN2CCO[C@H](Cn3cccn3)C2)CC1 ZINC000069376725 184510802 /nfs/dbraw/zinc/51/08/02/184510802.db2.gz CLVUZJXDPNXVFA-SJORKVTESA-N 1 0 322.453 0.677 50 0 DCAARO Cc1cnn(C[C@H](C)[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 ZINC000069490158 184519584 /nfs/dbraw/zinc/51/95/84/184519584.db2.gz CNQXMHUVHUSANK-AWEZNQCLSA-N 1 0 316.409 0.996 50 0 DCAARO CCn1cc(CNC(=O)N2CCC[C@](CO)(C[NH+](C)C)C2)cn1 ZINC000426646970 257245233 /nfs/dbraw/zinc/24/52/33/257245233.db2.gz FHHMIIRAQBSBJA-INIZCTEOSA-N 1 0 323.441 0.749 50 0 DCAARO Cc1cc(=O)c(C(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)cn1C ZINC000426403487 257251405 /nfs/dbraw/zinc/25/14/05/257251405.db2.gz LVWFDDJCBCIEGY-CYBMUJFWSA-N 1 0 307.394 0.128 50 0 DCAARO CCOc1ncccc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000071867494 184876503 /nfs/dbraw/zinc/87/65/03/184876503.db2.gz VIGAEAQTHMSUKQ-ZDUSSCGKSA-N 1 0 306.410 0.846 50 0 DCAARO CC[NH+]1CCN(c2nc(NCCOC)nc3c2cnn3C)CC1 ZINC000021930062 134653621 /nfs/dbraw/zinc/65/36/21/134653621.db2.gz VCBMXPDKIMHSGS-UHFFFAOYSA-N 1 0 319.413 0.564 50 0 DCAARO Cn1c(=O)c2c(SCC[NH+]3CCCC3)ccnc2n(C)c1=O ZINC000010217091 395685981 /nfs/dbraw/zinc/68/59/81/395685981.db2.gz HOARZWGOHIWXKP-UHFFFAOYSA-N 1 0 320.418 0.820 50 0 DCAARO CCCC[NH+](C[C@@H](O)Cn1cccn1)C[C@@H](O)Cn1cccn1 ZINC000001900521 395681341 /nfs/dbraw/zinc/68/13/41/395681341.db2.gz GRILMJRDQXJGMC-HZPDHXFCSA-N 1 0 321.425 0.604 50 0 DCAARO Cc1occc(=O)c1OCc1noc(C(=O)NCC[NH+](C)C)n1 ZINC000031816200 395708466 /nfs/dbraw/zinc/70/84/66/395708466.db2.gz BMWUXLCIMFLWIB-UHFFFAOYSA-N 1 0 322.321 0.202 50 0 DCAARO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000089274454 395709384 /nfs/dbraw/zinc/70/93/84/395709384.db2.gz SPMBSNRXFQQBKP-AWEZNQCLSA-N 1 0 313.423 0.864 50 0 DCAARO Cc1nccn1CCC[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000089735676 395714476 /nfs/dbraw/zinc/71/44/76/395714476.db2.gz YXHXGDQVHWMZQO-CQSZACIVSA-N 1 0 319.453 0.866 50 0 DCAARO CC(C)CNC(=O)NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000089840247 395715761 /nfs/dbraw/zinc/71/57/61/395715761.db2.gz JDFHEXPFRJIOKR-CQSZACIVSA-N 1 0 310.442 0.886 50 0 DCAARO CN(C[C@H](O)CN1CC[NH+](C)CC1)C(=O)C1C(C)(C)C1(C)C ZINC000089917380 395716508 /nfs/dbraw/zinc/71/65/08/395716508.db2.gz RQYZMWXODWSJRL-ZDUSSCGKSA-N 1 0 311.470 0.735 50 0 DCAARO C[C@H](CNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1)[NH+](C)C ZINC000089900644 395716529 /nfs/dbraw/zinc/71/65/29/395716529.db2.gz PTPOBXMOUSSRFQ-UKRRQHHQSA-N 1 0 319.405 0.480 50 0 DCAARO CCSc1nc2c(cnn2CC[NH3+])c(N2CCOCC2)n1 ZINC000026421757 395694316 /nfs/dbraw/zinc/69/43/16/395694316.db2.gz ZDBBWXARHFUMFF-UHFFFAOYSA-N 1 0 308.411 0.734 50 0 DCAARO Cc1noc(CCCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000084286672 395697128 /nfs/dbraw/zinc/69/71/28/395697128.db2.gz JIIUNZJPVDXSLH-UONOGXRCSA-N 1 0 322.409 0.758 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000037296271 395726380 /nfs/dbraw/zinc/72/63/80/395726380.db2.gz XFHWZYSSBRPIEG-KGLIPLIRSA-N 1 0 309.797 0.711 50 0 DCAARO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC000095402312 395740309 /nfs/dbraw/zinc/74/03/09/395740309.db2.gz YSOVKLSZSDBBQA-CYBMUJFWSA-N 1 0 317.397 0.745 50 0 DCAARO COC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200579 395755600 /nfs/dbraw/zinc/75/56/00/395755600.db2.gz RZNHTQQTKYPCTJ-UONOGXRCSA-N 1 0 306.410 0.967 50 0 DCAARO CC1=NN(CC(=O)N2CCC3(CC[NH2+]C[C@H]3CO)CC2)CC1 ZINC000097475615 395757861 /nfs/dbraw/zinc/75/78/61/395757861.db2.gz ZELLVIWXNLNLDJ-AWEZNQCLSA-N 1 0 308.426 0.279 50 0 DCAARO O=C(C1CC1)N1CC[N@H+](CCCc2cccnc2)C[C@H](O)C1 ZINC000097475390 395758123 /nfs/dbraw/zinc/75/81/23/395758123.db2.gz ISMMLDLCSYPSCG-INIZCTEOSA-N 1 0 303.406 0.929 50 0 DCAARO Cc1n[nH]c(CCC(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000097766557 395760096 /nfs/dbraw/zinc/76/00/96/395760096.db2.gz STOAOIGHSHVVNM-CYBMUJFWSA-N 1 0 321.425 0.273 50 0 DCAARO CNC(=C[N+](=O)[O-])NCCSC[C@@H]1CC[C@H](C[NH+](C)C)O1 ZINC000100231025 395762795 /nfs/dbraw/zinc/76/27/95/395762795.db2.gz HCDJRCQNCQCVSO-LZEMIWRJSA-N 1 0 318.443 0.713 50 0 DCAARO C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCCO3)ccn2)CC1 ZINC000048329229 395813338 /nfs/dbraw/zinc/81/33/38/395813338.db2.gz IREBQHINIOEJGB-AWEZNQCLSA-N 1 0 304.394 0.629 50 0 DCAARO Cc1c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cnn1C ZINC000048481160 395815698 /nfs/dbraw/zinc/81/56/98/395815698.db2.gz SKOQCLQXTPJNMV-UHFFFAOYSA-N 1 0 306.410 0.913 50 0 DCAARO C[NH+]1CCN(CCCNC(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000049551547 395833420 /nfs/dbraw/zinc/83/34/20/395833420.db2.gz MXYVHWXNVJKPJT-UHFFFAOYSA-N 1 0 318.421 0.231 50 0 DCAARO Nc1nc(C2CC(O)C2)cc(N2CC([NH+]3CCCCC3)C2)n1 ZINC000219302094 395844762 /nfs/dbraw/zinc/84/47/62/395844762.db2.gz YTPBHMFRWIPYNW-UHFFFAOYSA-N 1 0 303.410 0.972 50 0 DCAARO COC(=O)c1ccc(OCCN2CC[NH+](CCO)CC2)cc1 ZINC000051211065 395848215 /nfs/dbraw/zinc/84/82/15/395848215.db2.gz YPVVAEATGLMQFN-UHFFFAOYSA-N 1 0 308.378 0.462 50 0 DCAARO O=C(Cn1cnc2ccccc21)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000220586895 395848845 /nfs/dbraw/zinc/84/88/45/395848845.db2.gz ZVYQDSXFFYSBSZ-HOTGVXAUSA-N 1 0 314.389 0.704 50 0 DCAARO Oc1ccc(N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)cc1 ZINC000051293688 395849227 /nfs/dbraw/zinc/84/92/27/395849227.db2.gz NWEXLUDEIYMTMC-MRXNPFEDSA-N 1 0 302.378 0.772 50 0 DCAARO [NH3+]C1(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCCCCC1 ZINC000225467879 395860996 /nfs/dbraw/zinc/86/09/96/395860996.db2.gz DAIFCEBCFBGNEZ-LBPRGKRZSA-N 1 0 319.409 0.931 50 0 DCAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccn2cnnc2c1 ZINC000222439994 395852539 /nfs/dbraw/zinc/85/25/39/395852539.db2.gz JPWLHTGBLPDOFI-YXCITZCRSA-N 1 0 301.350 0.177 50 0 DCAARO Cn1nc(C(=O)N[C@H]2[C@@H]3OCC[C@@H]3[C@@H]2[NH3+])cc1-c1cccs1 ZINC000222422120 395852830 /nfs/dbraw/zinc/85/28/30/395852830.db2.gz FMXBXVMEWWWITB-DSMZTOPNSA-N 1 0 318.402 0.993 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NCC2([NH3+])CCCCCC2)[C@@H](C)CO1 ZINC000237523685 395914018 /nfs/dbraw/zinc/91/40/18/395914018.db2.gz AJYISFMZISLEGC-QWHCGFSZSA-N 1 0 319.471 0.982 50 0 DCAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CCO1 ZINC000229476843 395874612 /nfs/dbraw/zinc/87/46/12/395874612.db2.gz NRNUKXKQPKUSLI-ZIAGYGMSSA-N 1 0 307.398 0.237 50 0 DCAARO Cc1noc([C@@H]2CN(C(=O)C[NH+]3CCCCCC3)C[C@H]2CO)n1 ZINC000253414705 396028150 /nfs/dbraw/zinc/02/81/50/396028150.db2.gz YHJWJVQDJILDCU-UONOGXRCSA-N 1 0 322.409 0.788 50 0 DCAARO Cc1ccc(O)c(C(=O)NC[C@@H]2CCC[N@@H+](C(CO)CO)C2)c1 ZINC000067589067 396028455 /nfs/dbraw/zinc/02/84/55/396028455.db2.gz HQNBMJNVBPHIFE-ZDUSSCGKSA-N 1 0 322.405 0.496 50 0 DCAARO Cc1cc(C(=O)N(C)CC2=CCC[N@H+](C[C@@H](O)CO)C2)c(C)o1 ZINC000067820904 396034765 /nfs/dbraw/zinc/03/47/65/396034765.db2.gz LSKRKVZAWYPHDJ-OAHLLOKOSA-N 1 0 322.405 0.954 50 0 DCAARO [NH3+]Cc1cn(C[C@H]2CCCN(c3ncnc4nc[nH]c43)C2)nn1 ZINC000067833672 396035193 /nfs/dbraw/zinc/03/51/93/396035193.db2.gz QHRTUDUPFHGPGH-JTQLQIEISA-N 1 0 313.369 0.320 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(-c2ccccc2)no1 ZINC000067934944 396039970 /nfs/dbraw/zinc/03/99/70/396039970.db2.gz TZANCSVUBZJMQU-DOMZBBRYSA-N 1 0 300.362 0.989 50 0 DCAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H](C)CO)cnn2c1 ZINC000067964792 396040822 /nfs/dbraw/zinc/04/08/22/396040822.db2.gz VMTKYBAXSFYBFQ-NSHDSACASA-N 1 0 305.382 0.682 50 0 DCAARO C[C@@H]1C[NH+](C[C@H](O)Cn2nnnc2-c2ccccn2)C[C@@H](C)O1 ZINC000066738336 396013581 /nfs/dbraw/zinc/01/35/81/396013581.db2.gz TUPMEEGWQYWOAO-UPJWGTAASA-N 1 0 318.381 0.205 50 0 DCAARO C[C@H](O)C[NH+]1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000069630446 396085654 /nfs/dbraw/zinc/08/56/54/396085654.db2.gz SWKCUXWNVSHHAD-AWEZNQCLSA-N 1 0 305.422 0.887 50 0 DCAARO CCC(=O)N1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC000169749195 396090825 /nfs/dbraw/zinc/09/08/25/396090825.db2.gz JSPXBVJDRBNZRM-UHFFFAOYSA-N 1 0 319.409 0.528 50 0 DCAARO COCC(=O)N[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1c1nc(C)no1 ZINC000169782856 396091990 /nfs/dbraw/zinc/09/19/90/396091990.db2.gz BBKPEJUSXBFWHH-QWHCGFSZSA-N 1 0 308.382 0.709 50 0 DCAARO Cc1nc(CN2CCC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)no1 ZINC000069870071 396093059 /nfs/dbraw/zinc/09/30/59/396093059.db2.gz VTFQIZVNNUWHQT-KGLIPLIRSA-N 1 0 320.397 0.190 50 0 DCAARO Cc1noc([C@@H]2C[N@H+](Cc3ccncc3F)C[C@H]2C(N)=O)n1 ZINC000169791137 396093461 /nfs/dbraw/zinc/09/34/61/396093461.db2.gz UCAHSRRVFIPSMN-GHMZBOCLSA-N 1 0 305.313 0.613 50 0 DCAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N2CCNC2=O)n1 ZINC000069919411 396094609 /nfs/dbraw/zinc/09/46/09/396094609.db2.gz JYIVVRSMLPPPJN-ZDUSSCGKSA-N 1 0 305.382 0.516 50 0 DCAARO CC(C)NC(=O)CN(C)CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000170621604 396095861 /nfs/dbraw/zinc/09/58/61/396095861.db2.gz XHMKEXLNGBDJBA-UHFFFAOYSA-N 1 0 312.458 0.433 50 0 DCAARO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)COCc1ccco1)CC2 ZINC000069951251 396096522 /nfs/dbraw/zinc/09/65/22/396096522.db2.gz ZREBTPPLAOAMMA-QWHCGFSZSA-N 1 0 306.366 0.662 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)N3CCNC3=O)C2)n1 ZINC000069979413 396097432 /nfs/dbraw/zinc/09/74/32/396097432.db2.gz DXOQPMIZRQQRIT-CYBMUJFWSA-N 1 0 320.397 0.159 50 0 DCAARO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1C(=O)NC(C)(C)C1=O ZINC000071279560 396111588 /nfs/dbraw/zinc/11/15/88/396111588.db2.gz WZTAGKSUQVSEIW-ZDUSSCGKSA-N 1 0 305.378 0.810 50 0 DCAARO Cc1cnn(CC[NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000072253140 396127009 /nfs/dbraw/zinc/12/70/09/396127009.db2.gz QOLSJNCLYGTQIT-HUUCEWRRSA-N 1 0 306.410 0.951 50 0 DCAARO COc1c([C@H]2CCC[N@@H+]2CCCS(N)(=O)=O)c(C)nn1C ZINC000072253814 396128081 /nfs/dbraw/zinc/12/80/81/396128081.db2.gz ANVZHRGSAUPWQB-LLVKDONJSA-N 1 0 316.427 0.553 50 0 DCAARO C[NH+](C)C1(C(=O)NCCN2CCOCC2)Cc2ccccc2C1 ZINC000072293081 396129679 /nfs/dbraw/zinc/12/96/79/396129679.db2.gz PLJSGYCWXPTXHY-UHFFFAOYSA-N 1 0 317.433 0.534 50 0 DCAARO O=C(CN1CCN(C(=O)C[NH+]2CCCC2)CC1)NC1CCCC1 ZINC000069373311 396076631 /nfs/dbraw/zinc/07/66/31/396076631.db2.gz MLADMVOXALCVTB-UHFFFAOYSA-N 1 0 322.453 0.285 50 0 DCAARO Cc1cc(N2CCN(Cc3nccn3C)[C@H](C)C2)nc(N)[nH+]1 ZINC000069451459 396078429 /nfs/dbraw/zinc/07/84/29/396078429.db2.gz NFLBMHVADUPAKG-GFCCVEGCSA-N 1 0 301.398 0.811 50 0 DCAARO CN1C[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1=O ZINC000069492636 396080137 /nfs/dbraw/zinc/08/01/37/396080137.db2.gz PGXGBZCABLBILR-HUUCEWRRSA-N 1 0 303.406 0.754 50 0 DCAARO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000074161937 396159132 /nfs/dbraw/zinc/15/91/32/396159132.db2.gz JQCCSLJKVNWANK-AWEZNQCLSA-N 1 0 321.425 0.844 50 0 DCAARO Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000262666262 396170205 /nfs/dbraw/zinc/17/02/05/396170205.db2.gz PNRFQIKWGSSJAM-OLZOCXBDSA-N 1 0 311.407 0.145 50 0 DCAARO C[C@@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000076058316 396194685 /nfs/dbraw/zinc/19/46/85/396194685.db2.gz SYWQYRYUWNNCBH-YGRLFVJLSA-N 1 0 323.418 0.800 50 0 DCAARO NC(=O)c1ccc(NC(=O)CCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178624624 396201773 /nfs/dbraw/zinc/20/17/73/396201773.db2.gz RTBXWSATLAOTMD-OAHLLOKOSA-N 1 0 316.405 0.894 50 0 DCAARO O=C1CCCN1CCn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000077323258 396217968 /nfs/dbraw/zinc/21/79/68/396217968.db2.gz RIXHHTZSPJNPDW-UHFFFAOYSA-N 1 0 318.402 0.726 50 0 DCAARO Cc1ccccc1[C@H](CC(=O)N(C)[C@@H]1CC[NH2+]C1)NC(N)=O ZINC000179049093 396219589 /nfs/dbraw/zinc/21/95/89/396219589.db2.gz MXPIMZXJKMJREG-OCCSQVGLSA-N 1 0 304.394 0.915 50 0 DCAARO O=C(c1ccccc1)C1CCN(C[C@]2(O)C[NH2+]CCOC2)CC1 ZINC000077377167 396220316 /nfs/dbraw/zinc/22/03/16/396220316.db2.gz IOOXTHIMHMGNNH-GOSISDBHSA-N 1 0 318.417 0.932 50 0 DCAARO O[C@]1(C[NH+]2CCC(CCn3cccn3)CC2)CNCCOC1 ZINC000077375902 396220396 /nfs/dbraw/zinc/22/03/96/396220396.db2.gz SQADHCZCRFJWGL-INIZCTEOSA-N 1 0 308.426 0.336 50 0 DCAARO Cc1cnn(CCCN2CCOC[C@@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077394171 396221438 /nfs/dbraw/zinc/22/14/38/396221438.db2.gz IBLCKSUBRGFXIV-QGZVFWFLSA-N 1 0 322.453 0.741 50 0 DCAARO Cc1nnnn1CCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000077485837 396224205 /nfs/dbraw/zinc/22/42/05/396224205.db2.gz YGIHRJZENQPVHL-HNNXBMFYSA-N 1 0 308.430 0.558 50 0 DCAARO CSCc1nc(CC[NH2+]C[C@@]2(O)CNCCOC2)cs1 ZINC000077488668 396224264 /nfs/dbraw/zinc/22/42/64/396224264.db2.gz FGSZFOHHUYMQDM-CYBMUJFWSA-N 1 0 317.480 0.489 50 0 DCAARO CNC(=O)c1cccnc1NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000584887650 396633479 /nfs/dbraw/zinc/63/34/79/396633479.db2.gz ISSJQOFCLQDMTD-UHFFFAOYSA-N 1 0 319.409 0.441 50 0 DCAARO Cc1cc(C(N)=O)c(NCC[NH+]2CCC(CO)CC2)nc1C ZINC000584898086 396635831 /nfs/dbraw/zinc/63/58/31/396635831.db2.gz AXUDQEHBQCUJHB-UHFFFAOYSA-N 1 0 306.410 0.914 50 0 DCAARO C[NH+](C)CCN1CCN(C(=O)[C@@]2(C)CCCCO2)CCC1=O ZINC000584899222 396636352 /nfs/dbraw/zinc/63/63/52/396636352.db2.gz JGEDJBKAVAMRQF-MRXNPFEDSA-N 1 0 311.426 0.568 50 0 DCAARO Cc1n[nH]nc1C(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584899932 396636580 /nfs/dbraw/zinc/63/65/80/396636580.db2.gz YMJPEHCFKUEBHY-PHIMTYICSA-N 1 0 307.398 0.827 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C)CC1 ZINC000299754188 396713918 /nfs/dbraw/zinc/71/39/18/396713918.db2.gz NFDHFEZAZGSNLJ-CWRNSKLLSA-N 1 0 322.453 0.092 50 0 DCAARO CCN1C[C@H](S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)CC1=O ZINC000630094160 396940323 /nfs/dbraw/zinc/94/03/23/396940323.db2.gz XZODPCGVFBBART-NEPJUHHUSA-N 1 0 303.428 0.044 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)C1 ZINC000255471189 287124995 /nfs/dbraw/zinc/12/49/95/287124995.db2.gz YNHQOWLILMPDKJ-DEBLGDTFSA-N 1 0 317.389 0.774 50 0 DCAARO COc1ccc([C@H](CC(=O)N2CC[C@@H]([NH3+])C2)NC(C)=O)cc1 ZINC000132352400 196248208 /nfs/dbraw/zinc/24/82/08/196248208.db2.gz GULLDJKSESIWHU-HIFRSBDPSA-N 1 0 305.378 0.822 50 0 DCAARO O=C(C[NH+]1CCCC1)NCCNS(=O)(=O)c1ccccc1 ZINC000002833511 415124940 /nfs/dbraw/zinc/12/49/40/415124940.db2.gz DRHKLEXEDDTPKP-UHFFFAOYSA-N 1 0 311.407 0.177 50 0 DCAARO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000007458790 415142238 /nfs/dbraw/zinc/14/22/38/415142238.db2.gz XYWFEDRNJKBWOL-LBPRGKRZSA-N 1 0 319.405 0.897 50 0 DCAARO CO[C@H]1C[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000036265060 415190701 /nfs/dbraw/zinc/19/07/01/415190701.db2.gz XUWOVPVTZVICAQ-UWVGGRQHSA-N 1 0 308.762 0.744 50 0 DCAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000269603951 415253866 /nfs/dbraw/zinc/25/38/66/415253866.db2.gz BLJIBDPZMVOHPD-ZWNOBZJWSA-N 1 0 311.407 0.676 50 0 DCAARO CC(=O)Nc1nc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cs1 ZINC000071864148 415411467 /nfs/dbraw/zinc/41/14/67/415411467.db2.gz ITXUHLBNHNDTKD-WDEREUQCSA-N 1 0 312.439 0.988 50 0 DCAARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)c1cc(N)ccn1)CC2 ZINC000067675781 415378903 /nfs/dbraw/zinc/37/89/03/415378903.db2.gz DKXWEUPRWKJENF-UHFFFAOYSA-N 1 0 317.393 0.090 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(F)c(OC)c(F)c1 ZINC000067740352 415385675 /nfs/dbraw/zinc/38/56/75/415385675.db2.gz LABNBJRWPCAWHO-KCJUWKMLSA-N 1 0 313.304 0.261 50 0 DCAARO C[N@H+](CCO)C[C@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067947883 415390251 /nfs/dbraw/zinc/39/02/51/415390251.db2.gz UQCXZATYZCYCKD-QGZVFWFLSA-N 1 0 306.406 0.507 50 0 DCAARO C[C@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000075132663 415437452 /nfs/dbraw/zinc/43/74/52/415437452.db2.gz RIWIPHOBLFLESQ-NHYWBVRUSA-N 1 0 300.349 0.997 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CCCS(N)(=O)=O)n1 ZINC000075604497 415449312 /nfs/dbraw/zinc/44/93/12/415449312.db2.gz ULOKSSVNZQRAKH-ZDUSSCGKSA-N 1 0 315.443 0.428 50 0 DCAARO Cc1c[nH]c(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000095363295 415555556 /nfs/dbraw/zinc/55/55/56/415555556.db2.gz VQTCCHMUMLAPPA-LBPRGKRZSA-N 1 0 307.398 0.087 50 0 DCAARO CC[N@H+](CC(=O)NC[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(C)C ZINC000096424244 415577118 /nfs/dbraw/zinc/57/71/18/415577118.db2.gz YOONQVIQFPDLQN-STQMWFEESA-N 1 0 304.456 0.904 50 0 DCAARO CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)NS(C)(=O)=O ZINC000096493459 415581499 /nfs/dbraw/zinc/58/14/99/415581499.db2.gz DSRPMQPXLJPSQS-UTUOFQBUSA-N 1 0 302.440 0.861 50 0 DCAARO Cc1nc(C)c(C)c(N(C)C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC000097228107 415585978 /nfs/dbraw/zinc/58/59/78/415585978.db2.gz LKYRVOQXJRTRLF-HNNXBMFYSA-N 1 0 307.442 0.446 50 0 DCAARO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[NH2+]CC3)c1 ZINC000299757278 416064683 /nfs/dbraw/zinc/06/46/83/416064683.db2.gz JZPDWBKQBOLJTA-LLVKDONJSA-N 1 0 315.377 0.923 50 0 DCAARO Cn1ccnc1[C@@H](NC(=O)CN1CCC[N@H+](C)CC1)C1CC1 ZINC000299785856 416068660 /nfs/dbraw/zinc/06/86/60/416068660.db2.gz LXQQEFXVZNHRIR-HNNXBMFYSA-N 1 0 305.426 0.625 50 0 DCAARO CN1CCC[N@H+](C)CC12CCN(C(=O)c1csc(N)n1)CC2 ZINC000299796726 416070701 /nfs/dbraw/zinc/07/07/01/416070701.db2.gz NPDKJQOVTQLIQU-UHFFFAOYSA-N 1 0 323.466 0.967 50 0 DCAARO CC(=O)N1CCC([N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)CC1 ZINC000299798315 416071564 /nfs/dbraw/zinc/07/15/64/416071564.db2.gz QUFYZWMTRSINRE-LSDHHAIUSA-N 1 0 305.382 0.435 50 0 DCAARO C[C@H](C[S@](C)=O)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248446466 416333364 /nfs/dbraw/zinc/33/33/64/416333364.db2.gz CONYBARYDKXEFT-UVARLRKDSA-N 1 0 301.456 0.881 50 0 DCAARO Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CCO2)c1 ZINC000253431536 416334800 /nfs/dbraw/zinc/33/48/00/416334800.db2.gz SCVGFEUMJKXJJF-SOUVJXGZSA-N 1 0 306.410 0.617 50 0 DCAARO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000195554221 416326775 /nfs/dbraw/zinc/32/67/75/416326775.db2.gz ADFRPVMCGVUQIV-IAGOWNOFSA-N 1 0 316.449 0.925 50 0 DCAARO CN(C)c1ccc(CN2CCC(NS(C)(=O)=O)CC2)cn1 ZINC000215250467 416327082 /nfs/dbraw/zinc/32/70/82/416327082.db2.gz SCUSPIXPIOLCMA-UHFFFAOYSA-N 1 0 312.439 0.661 50 0 DCAARO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000237917115 416329210 /nfs/dbraw/zinc/32/92/10/416329210.db2.gz RYHCOGNBWKKPFX-LLVKDONJSA-N 1 0 315.377 0.490 50 0 DCAARO O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1C[NH2+]CCO1 ZINC000237907149 416329231 /nfs/dbraw/zinc/32/92/31/416329231.db2.gz UHZWQLMZJSWGSV-AAEUAGOBSA-N 1 0 323.780 0.550 50 0 DCAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000243893822 416330289 /nfs/dbraw/zinc/33/02/89/416330289.db2.gz AUORBWSYVLQBJK-ZDUSSCGKSA-N 1 0 304.398 0.774 50 0 DCAARO Nc1nc(NCc2cn3cccnc3n2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244574966 416330600 /nfs/dbraw/zinc/33/06/00/416330600.db2.gz CUMCFWJEKWOYCT-JGZJWPJOSA-N 1 0 311.349 0.952 50 0 DCAARO COCC[N@@H+]1CC[C@@H](C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000244708141 416330902 /nfs/dbraw/zinc/33/09/02/416330902.db2.gz KOKMSEHUIYIMFC-GFCCVEGCSA-N 1 0 318.377 0.441 50 0 DCAARO O=C(CC[NH+]1Cc2ccccc2C1)N1CC(N2CCOCC2)C1 ZINC000244774186 416331087 /nfs/dbraw/zinc/33/10/87/416331087.db2.gz PPHMKEVYHGCTOS-UHFFFAOYSA-N 1 0 315.417 0.935 50 0 DCAARO C[C@H]1CCCN(C(=O)c2cn(Cc3ccccn3)nn2)[C@H]1C[NH3+] ZINC000299739616 229371438 /nfs/dbraw/zinc/37/14/38/229371438.db2.gz QPOXUGGCXBEKPL-WFASDCNBSA-N 1 0 314.393 0.921 50 0 DCAARO CCS(=O)(=O)NCC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000071907830 276391830 /nfs/dbraw/zinc/39/18/30/276391830.db2.gz KBICVXTVYQFIDS-HNNXBMFYSA-N 1 0 312.435 0.908 50 0 DCAARO CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000237154028 277007182 /nfs/dbraw/zinc/00/71/82/277007182.db2.gz UYUODYHWZOZVHG-HUUCEWRRSA-N 1 0 301.390 0.686 50 0 DCAARO Cc1nc(C)c(C)c(N(C)C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC000097228109 279075962 /nfs/dbraw/zinc/07/59/62/279075962.db2.gz LKYRVOQXJRTRLF-OAHLLOKOSA-N 1 0 307.442 0.446 50 0 DCAARO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000229265060 279208009 /nfs/dbraw/zinc/20/80/09/279208009.db2.gz DILJFTNDIFEYAE-ZYHUDNBSSA-N 1 0 307.419 0.829 50 0 DCAARO C[NH+](C)[C@H]1CCN(CC(=O)NCCCNc2cccnc2)C1 ZINC000244899857 289385604 /nfs/dbraw/zinc/38/56/04/289385604.db2.gz ZRNNCEYLXLOPAO-HNNXBMFYSA-N 1 0 305.426 0.636 50 0 DCAARO C[C@@H]1[C@H](C)N(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCS1(=O)=O ZINC000328587648 297756359 /nfs/dbraw/zinc/75/63/59/297756359.db2.gz DSXAKFMOQBRAEM-FMCLSXCISA-N 1 0 300.424 0.410 50 0 DCAARO O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000534577617 334288002 /nfs/dbraw/zinc/28/80/02/334288002.db2.gz NJJDEKWEZBERNL-LBPRGKRZSA-N 1 0 315.439 0.206 50 0 DCAARO Cn1c(SCc2nc(C(N)=O)no2)nnc1[C@H]1CCC[NH2+]C1 ZINC000534646473 334306259 /nfs/dbraw/zinc/30/62/59/334306259.db2.gz IGQRWTVAYCVGGN-ZETCQYMHSA-N 1 0 323.382 0.056 50 0 DCAARO CN1CC[NH+](CC2(CNC(=O)c3ccncc3F)CC2)CC1 ZINC000534631751 334307511 /nfs/dbraw/zinc/30/75/11/334307511.db2.gz LCBBGFTUIVWQPQ-UHFFFAOYSA-N 1 0 306.385 0.978 50 0 DCAARO O=S(=O)(Cc1ccc(Cl)cc1F)N[C@@H]1C[NH2+]C[C@H]1O ZINC000534656732 334314076 /nfs/dbraw/zinc/31/40/76/334314076.db2.gz FYMTVXCDPLONAN-GHMZBOCLSA-N 1 0 308.762 0.231 50 0 DCAARO CN1CC[NH+](CC2(CNC(=O)[C@H]3CC[C@@H](O)CC3)CC2)CC1 ZINC000534669862 334319959 /nfs/dbraw/zinc/31/99/59/334319959.db2.gz NZXZMPVQIIEVDF-GASCZTMLSA-N 1 0 309.454 0.681 50 0 DCAARO Cn1cncc1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000237931916 527508861 /nfs/dbraw/zinc/50/88/61/527508861.db2.gz XBOGZNMQRFLBPM-GFCCVEGCSA-N 1 0 305.334 0.678 50 0 DCAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccccc2)C1 ZINC000091713018 545720303 /nfs/dbraw/zinc/72/03/03/545720303.db2.gz YJBFVNSNGDTXNP-ZIAGYGMSSA-N 1 0 319.405 0.644 50 0 DCAARO COc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c(OC)n1 ZINC000670462337 547098983 /nfs/dbraw/zinc/09/89/83/547098983.db2.gz SCHYZJWGZZXBIT-GFCCVEGCSA-N 1 0 323.393 0.675 50 0 DCAARO CN1CC2(CCN(C(=O)[C@@]3(C)CC[N@H+](C)C3)CC2)OCC1=O ZINC000670468944 547100480 /nfs/dbraw/zinc/10/04/80/547100480.db2.gz JKSUFPFLJMEZKM-HNNXBMFYSA-N 1 0 309.410 0.178 50 0 DCAARO CN1CC[C@@H](NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000670472291 547101091 /nfs/dbraw/zinc/10/10/91/547101091.db2.gz PPAKIGVAUBLXKY-OAHLLOKOSA-N 1 0 316.405 0.399 50 0 DCAARO C[NH+]1CCC(c2ncc(C(=O)N[C@H]3CCOC[C@@H]3O)[nH]2)CC1 ZINC000685943015 548747876 /nfs/dbraw/zinc/74/78/76/548747876.db2.gz ZTXNHWCXPQDDQK-AAEUAGOBSA-N 1 0 308.382 0.099 50 0 DCAARO [NH3+]CC1(C(F)(F)F)CCN(S(=O)(=O)[C@@H]2CCOC2)CC1 ZINC000725264655 548750114 /nfs/dbraw/zinc/75/01/14/548750114.db2.gz AWOHKSSECGFUBP-SECBINFHSA-N 1 0 316.345 0.708 50 0 DCAARO C[C@H]1CN(CC[NH+]2CCC(c3ccnn3CCO)CC2)CCO1 ZINC000191469441 662708847 /nfs/dbraw/zinc/70/88/47/662708847.db2.gz PAUJCQBDWODPFE-HNNXBMFYSA-N 1 0 322.453 0.776 50 0 DCAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC[C@H]1CO ZINC000864094420 667214500 /nfs/dbraw/zinc/21/45/00/667214500.db2.gz UZKMTWSPAZTXDK-JKSUJKDBSA-N 1 0 319.405 0.664 50 0 DCAARO CC[NH+]1CCN(CC(=O)N2CCC(c3nnc(C)[nH]3)CC2)CC1 ZINC000952983376 685601922 /nfs/dbraw/zinc/60/19/22/685601922.db2.gz KZFJMBVHYDCJFO-UHFFFAOYSA-N 1 0 320.441 0.457 50 0 DCAARO CCn1ccc(CN2CCC([NH+]3CCN(CCO)CC3)CC2)n1 ZINC000952989253 685602940 /nfs/dbraw/zinc/60/29/40/685602940.db2.gz QFKFVDADNKRJIO-UHFFFAOYSA-N 1 0 321.469 0.477 50 0 DCAARO O[C@@H]1CCN(c2ccnc(N3CC([NH+]4CCCCC4)C3)n2)C1 ZINC000065410085 685063838 /nfs/dbraw/zinc/06/38/38/685063838.db2.gz UNHMBKPUZSDELT-CQSZACIVSA-N 1 0 303.410 0.722 50 0 DCAARO O[C@H]1CCN(c2ccnc(N3CC([NH+]4CCCCC4)C3)n2)C1 ZINC000065410084 685064806 /nfs/dbraw/zinc/06/48/06/685064806.db2.gz UNHMBKPUZSDELT-AWEZNQCLSA-N 1 0 303.410 0.722 50 0 DCAARO CC[N@@H+]1CCO[C@@H](CCNC(=O)c2nnc3n2CCCCC3)C1 ZINC000067741557 685069098 /nfs/dbraw/zinc/06/90/98/685069098.db2.gz FJTXVRVEIXUNDQ-ZDUSSCGKSA-N 1 0 321.425 0.845 50 0 DCAARO CN(CC[NH+]1CCCCCC1)C(=O)c1cnc(C(N)=O)cn1 ZINC001772702030 1157840954 /nfs/dbraw/zinc/84/09/54/1157840954.db2.gz CYRZIKGULJJNRL-UHFFFAOYSA-N 1 0 305.382 0.524 50 0 DCAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC[NH+](CCC(=O)[O-])CC1 ZINC001772710579 1157847359 /nfs/dbraw/zinc/84/73/59/1157847359.db2.gz BVCPVXFHXGSNCX-CQSZACIVSA-N 1 0 311.426 0.870 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)COc1ccc(F)cc1)C2 ZINC001704304545 1179968129 /nfs/dbraw/zinc/96/81/29/1179968129.db2.gz GRIDVJHEUQNWNV-JSGCOSHPSA-N 1 0 308.353 0.994 50 0 DCAARO CN(CC(=O)N1C[C@H]2COC[C@@H]1C[N@H+](C)C2)Cc1cccnc1 ZINC001704311603 1179970049 /nfs/dbraw/zinc/97/00/49/1179970049.db2.gz NNBKSMHUHDIBBT-HOTGVXAUSA-N 1 0 318.421 0.302 50 0 DCAARO Cc1c(C(=O)N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)cnn1C ZINC001704340102 1179978822 /nfs/dbraw/zinc/97/88/22/1179978822.db2.gz USINJHKIYZPIFF-GDBMZVCRSA-N 1 0 306.410 0.647 50 0 DCAARO CC1CCN(S(=O)(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)CC1 ZINC000822425715 758194694 /nfs/dbraw/zinc/19/46/94/758194694.db2.gz MEVPFCRGKSRNJM-KBPBESRZSA-N 1 0 317.455 0.416 50 0 DCAARO C[NH+]1CCN([C@@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000823789282 758275132 /nfs/dbraw/zinc/27/51/32/758275132.db2.gz BUIJSWRDIZOUOM-MRXNPFEDSA-N 1 0 323.462 0.838 50 0 DCAARO Cc1ccc(=O)n(CC2CC[NH+](CC3(O)CCOCC3)CC2)n1 ZINC000585502176 768082856 /nfs/dbraw/zinc/08/28/56/768082856.db2.gz PPNJZVDGJJWDQD-UHFFFAOYSA-N 1 0 321.421 0.805 50 0 DCAARO Cc1cc(C[C@@H]2C[N@H+](CC(C)(C)N3CCOCC3)C[C@@H]2O)[nH]n1 ZINC001529166862 1014511155 /nfs/dbraw/zinc/51/11/55/1014511155.db2.gz BDPFCCYNILLMBT-ZBFHGGJFSA-N 1 0 322.453 0.664 50 0 DCAARO Cn1ccnc1-c1ccc(N2CC[N@H+](C)[C@H](CCO)C2)nn1 ZINC001506397394 1017253272 /nfs/dbraw/zinc/25/32/72/1017253272.db2.gz SGUWKNLRLOYTEH-GFCCVEGCSA-N 1 0 302.382 0.380 50 0 DCAARO C[C@@H](C(=O)Nc1ccnn1C1CC[NH+](C)CC1)n1cncn1 ZINC001506410133 1017258922 /nfs/dbraw/zinc/25/89/22/1017258922.db2.gz DNPCXLDWYWEINR-NSHDSACASA-N 1 0 303.370 0.941 50 0 DCAARO CN(C)S(=O)(=O)CC[NH2+]C1CCN(C(=O)C2CCC2)CC1 ZINC001506430860 1017271879 /nfs/dbraw/zinc/27/18/79/1017271879.db2.gz CJKSXXMOTPBCBL-UHFFFAOYSA-N 1 0 317.455 0.259 50 0 DCAARO Cn1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH+](C)C)cn1 ZINC000077519416 282113841 /nfs/dbraw/zinc/11/38/41/282113841.db2.gz GEXBQBPYURKLDZ-LBPRGKRZSA-N 1 0 300.428 0.915 50 0 DCAARO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)NCc1ccco1 ZINC000079099493 185158308 /nfs/dbraw/zinc/15/83/08/185158308.db2.gz XCCCOZLMWLDUFA-FZMZJTMJSA-N 1 0 320.393 0.678 50 0 DCAARO NS(=O)(=O)N1CCC[N@H+](Cc2ccc3ccccc3n2)CC1 ZINC000095398991 185353895 /nfs/dbraw/zinc/35/38/95/185353895.db2.gz ROFNNHOEXHYMTP-UHFFFAOYSA-N 1 0 320.418 0.946 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)NCCCn1nnc2ccccc21 ZINC000072140209 191048464 /nfs/dbraw/zinc/04/84/64/191048464.db2.gz OKGKVHCCUYEEQI-GFCCVEGCSA-N 1 0 303.366 0.316 50 0 DCAARO COCc1cc(CN(C)Cc2cc3n(n2)CCC[NH2+]C3)[nH]n1 ZINC000072122402 191039967 /nfs/dbraw/zinc/03/99/67/191039967.db2.gz MVJUWEIQGXSHEH-UHFFFAOYSA-N 1 0 304.398 0.878 50 0 DCAARO O=S(=O)(c1cccnc1)N1CC[C@H]2[NH2+]CCC[C@]2(CO)C1 ZINC000072133228 191045295 /nfs/dbraw/zinc/04/52/95/191045295.db2.gz UNIKHUQWLYMXNX-ZIAGYGMSSA-N 1 0 311.407 0.207 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)NCCc1cnn(-c2ccccc2)c1 ZINC000072163523 191063279 /nfs/dbraw/zinc/06/32/79/191063279.db2.gz NGEVCBBCOYSEPJ-HNNXBMFYSA-N 1 0 314.389 0.910 50 0 DCAARO CN(C[C@@H]1COCCO1)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000072169405 191067659 /nfs/dbraw/zinc/06/76/59/191067659.db2.gz JBRKGDCTEHCIRG-MRXNPFEDSA-N 1 0 318.417 0.959 50 0 DCAARO CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000072161630 191062074 /nfs/dbraw/zinc/06/20/74/191062074.db2.gz NOZVJVRROLODHP-LLVKDONJSA-N 1 0 303.322 0.078 50 0 DCAARO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237483348 186296252 /nfs/dbraw/zinc/29/62/52/186296252.db2.gz BLWLVBYDOOKRBD-JQWIXIFHSA-N 1 0 314.382 0.795 50 0 DCAARO Cc1nnnn1CCCN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000072422165 191158439 /nfs/dbraw/zinc/15/84/39/191158439.db2.gz LGRUGNYJKDOLHT-MRXNPFEDSA-N 1 0 322.457 0.683 50 0 DCAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCC[C@H]1CC[NH+](C)C ZINC000072424100 191160031 /nfs/dbraw/zinc/16/00/31/191160031.db2.gz AXCINAVMKPHUNE-LBPRGKRZSA-N 1 0 322.409 0.247 50 0 DCAARO NC(=O)CN1CC[N@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000072428232 191161389 /nfs/dbraw/zinc/16/13/89/191161389.db2.gz ZSIGEHIYDORLGO-INIZCTEOSA-N 1 0 305.422 0.473 50 0 DCAARO [NH3+]CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072456963 191173421 /nfs/dbraw/zinc/17/34/21/191173421.db2.gz SBFILMAVMBFISG-KRWDZBQOSA-N 1 0 316.405 0.772 50 0 DCAARO CCc1ccc(CCN2C(=O)NC3(CC[NH2+]CC3)C2=O)nc1 ZINC000077392258 191706887 /nfs/dbraw/zinc/70/68/87/191706887.db2.gz SQBWLGBTSBSROO-UHFFFAOYSA-N 1 0 302.378 0.861 50 0 DCAARO CC(=O)c1c(C)nn(CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c1C ZINC000077406858 191709620 /nfs/dbraw/zinc/70/96/20/191709620.db2.gz IEOHQYDOHIFKLY-UONOGXRCSA-N 1 0 304.394 0.913 50 0 DCAARO Cc1ccccc1[C@@H](CC(=O)N(C)[C@H]1CC[NH2+]C1)NC(N)=O ZINC000179049108 198974122 /nfs/dbraw/zinc/97/41/22/198974122.db2.gz MXPIMZXJKMJREG-GXTWGEPZSA-N 1 0 304.394 0.915 50 0 DCAARO NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000106830191 283325390 /nfs/dbraw/zinc/32/53/90/283325390.db2.gz AVWGNDJOFLKKSK-CABCVRRESA-N 1 0 301.390 0.985 50 0 DCAARO C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000237412658 202257524 /nfs/dbraw/zinc/25/75/24/202257524.db2.gz FUCAHOZTYKKQMG-MWLCHTKSSA-N 1 0 300.355 0.548 50 0 DCAARO Cc1ccccc1[C@H](CC(=O)N1CCC[NH2+]CC1)NC(N)=O ZINC000237643237 202316045 /nfs/dbraw/zinc/31/60/45/202316045.db2.gz CXUVKNIHZIYKAT-AWEZNQCLSA-N 1 0 304.394 0.916 50 0 DCAARO C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000065452687 296008876 /nfs/dbraw/zinc/00/88/76/296008876.db2.gz MUPUTXDNOYWARH-UONOGXRCSA-N 1 0 309.414 0.418 50 0 DCAARO O=C(C[N@@H+]1CC[C@@]2(C1)CCCNC2=O)NCc1ccccc1 ZINC000091445166 193057093 /nfs/dbraw/zinc/05/70/93/193057093.db2.gz XBVYQZQZBLGTNM-QGZVFWFLSA-N 1 0 301.390 0.905 50 0 DCAARO C[N@@H+]1CCN(Cc2nnc(C3CC3)o2)C[C@]12CCNC(=O)CC2 ZINC000091411958 193051435 /nfs/dbraw/zinc/05/14/35/193051435.db2.gz IFFRCYUDZGMJMH-INIZCTEOSA-N 1 0 319.409 0.733 50 0 DCAARO O=S(=O)(c1ccccc1F)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091536463 193071087 /nfs/dbraw/zinc/07/10/87/193071087.db2.gz ORVDSIVEGOWQIS-FZMZJTMJSA-N 1 0 314.382 0.561 50 0 DCAARO OCCC[C@@H]1CN(Cc2ncc[nH]2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091951776 193130703 /nfs/dbraw/zinc/13/07/03/193130703.db2.gz QIEWSOWKZBMQHN-CABCVRRESA-N 1 0 308.426 0.705 50 0 DCAARO O=C(Cn1cnnc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000092021680 193143319 /nfs/dbraw/zinc/14/33/19/193143319.db2.gz BLCALELSBJAMRX-HUUCEWRRSA-N 1 0 321.425 0.221 50 0 DCAARO CCc1noc(C[N@@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000092098685 193158689 /nfs/dbraw/zinc/15/86/89/193158689.db2.gz QUVGDAANFGKLSV-HNNXBMFYSA-N 1 0 308.382 0.439 50 0 DCAARO O=C(c1n[nH]c2c1CCCC2)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072129491 296158964 /nfs/dbraw/zinc/15/89/64/296158964.db2.gz HJVMOCKEZYNALA-INIZCTEOSA-N 1 0 320.393 0.120 50 0 DCAARO C[C@@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000012602381 181782297 /nfs/dbraw/zinc/78/22/97/181782297.db2.gz KHUWFAQUFRAOHH-GFCCVEGCSA-N 1 0 319.409 0.556 50 0 DCAARO O=C(CN1CCC[C@H](O)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020942021 182255670 /nfs/dbraw/zinc/25/56/70/182255670.db2.gz UPDHAVJZLGTVOX-SJORKVTESA-N 1 0 317.433 0.834 50 0 DCAARO c1cc(NCC2([NH+]3CCOCC3)CCCCC2)nn2nnnc12 ZINC000022405592 182320764 /nfs/dbraw/zinc/32/07/64/182320764.db2.gz DWLVZZNCTNUOHA-UHFFFAOYSA-N 1 0 317.397 0.966 50 0 DCAARO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCN2C(=O)NC[C@@H]2C1 ZINC000095962708 284536269 /nfs/dbraw/zinc/53/62/69/284536269.db2.gz ILHVLGBEXZTQOW-TZMCWYRMSA-N 1 0 300.362 0.109 50 0 DCAARO Cn1cnc2c1c(=O)n(CCC[NH+]1CCCCC1)c(=O)n2C ZINC000040473137 183074348 /nfs/dbraw/zinc/07/43/48/183074348.db2.gz YNSWRAJKUJONCO-UHFFFAOYSA-N 1 0 305.382 0.310 50 0 DCAARO O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000106094613 194184864 /nfs/dbraw/zinc/18/48/64/194184864.db2.gz LIFJZSOGDWJKGI-GRYCIOLGSA-N 1 0 301.412 0.100 50 0 DCAARO COc1cccc(C[N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000056640581 184016802 /nfs/dbraw/zinc/01/68/02/184016802.db2.gz HFTNXTIAWFWVQA-UHFFFAOYSA-N 1 0 303.362 0.725 50 0 DCAARO CC(C)NS(=O)(=O)Cc1ccccc1CNC1=[NH+]CCCN1 ZINC000058366221 184109398 /nfs/dbraw/zinc/10/93/98/184109398.db2.gz UHZHXDAYJDCEGO-UHFFFAOYSA-N 1 0 324.450 0.953 50 0 DCAARO COc1ncccc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000058377602 184110045 /nfs/dbraw/zinc/11/00/45/184110045.db2.gz OIPPPOKWLCEYTP-UHFFFAOYSA-N 1 0 306.410 0.848 50 0 DCAARO C[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cnnc3)c2)C[C@H]1CO ZINC000065395908 184334996 /nfs/dbraw/zinc/33/49/96/184334996.db2.gz BUPRPBDHYHGBQQ-OCCSQVGLSA-N 1 0 301.350 0.062 50 0 DCAARO CC(C)c1ccc(NC(=O)CC[NH2+][C@H](C(N)=O)[C@@H](C)O)cc1 ZINC000065423993 184341729 /nfs/dbraw/zinc/34/17/29/184341729.db2.gz HZEMTIVPFRNJHW-ABAIWWIYSA-N 1 0 307.394 0.963 50 0 DCAARO COCC(=O)N1CCCN(c2nc(N(C)C)[nH+]c(C)c2C)CC1 ZINC000065427392 184342861 /nfs/dbraw/zinc/34/28/61/184342861.db2.gz LLHOQSXBHOSGQU-UHFFFAOYSA-N 1 0 321.425 0.845 50 0 DCAARO CNC(=O)COc1ccccc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000065615078 184374422 /nfs/dbraw/zinc/37/44/22/184374422.db2.gz XVRRQEGSWSERDF-CQSZACIVSA-N 1 0 307.394 0.232 50 0 DCAARO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)S(C)(=O)=O ZINC000239762531 257237983 /nfs/dbraw/zinc/23/79/83/257237983.db2.gz CLXCLQAEWOPFRD-UTUOFQBUSA-N 1 0 302.440 0.847 50 0 DCAARO COc1ccc(CCNC(=O)NC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000426674009 257244490 /nfs/dbraw/zinc/24/44/90/257244490.db2.gz HWZSCBKQHZIWTL-OAHLLOKOSA-N 1 0 321.421 0.994 50 0 DCAARO Cc1nc2ccccn2c1CC(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000426582917 257246178 /nfs/dbraw/zinc/24/61/78/257246178.db2.gz WIEVLDCSHSMFLQ-LBPRGKRZSA-N 1 0 314.345 0.848 50 0 DCAARO C[N@@H+]1CCCC[C@H]1CC(=O)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000426556093 257246715 /nfs/dbraw/zinc/24/67/15/257246715.db2.gz ZKARJTZYROPLFB-ZDUSSCGKSA-N 1 0 319.409 0.293 50 0 DCAARO CN1CC[NH+](C2(CNC(=O)c3cncc(=O)[nH]3)CCCC2)CC1 ZINC000426530842 257247605 /nfs/dbraw/zinc/24/76/05/257247605.db2.gz ODHSDGLZADLLCD-UHFFFAOYSA-N 1 0 319.409 0.060 50 0 DCAARO NC(=O)C1(NC(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)CCCC1 ZINC000426505967 257248488 /nfs/dbraw/zinc/24/84/88/257248488.db2.gz XKJMFIZREIFRBV-LBPRGKRZSA-N 1 0 319.409 0.264 50 0 DCAARO [NH3+]CCOc1cccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1 ZINC000426478071 257249351 /nfs/dbraw/zinc/24/93/51/257249351.db2.gz UGAOWWIXSFFOGP-GFCCVEGCSA-N 1 0 305.334 0.301 50 0 DCAARO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)C1 ZINC000426487969 257249376 /nfs/dbraw/zinc/24/93/76/257249376.db2.gz IRAXEVUPPMQYCZ-ZDUSSCGKSA-N 1 0 306.414 0.574 50 0 DCAARO Cc1ccc(C(=O)N2CC[C@@](O)(CO)C2)cc1OCCC[NH3+] ZINC000426489404 257249573 /nfs/dbraw/zinc/24/95/73/257249573.db2.gz UAPYLDKDRTYRTN-INIZCTEOSA-N 1 0 308.378 0.292 50 0 DCAARO O=C(C1CCC1)N1CCn2nc(C[NH2+][C@H]3CCOC3)cc2C1 ZINC000426388105 257252315 /nfs/dbraw/zinc/25/23/15/257252315.db2.gz BPQSBOPMERZODL-ZDUSSCGKSA-N 1 0 304.394 0.904 50 0 DCAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](C[C@H](O)CO)CC1 ZINC000012478385 395687729 /nfs/dbraw/zinc/68/77/29/395687729.db2.gz BJPUXUJHMYAHFN-ZDUSSCGKSA-N 1 0 324.425 0.858 50 0 DCAARO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000012909942 395688147 /nfs/dbraw/zinc/68/81/47/395688147.db2.gz IDOMCNAYGAWNAG-MXWKQRLJSA-N 1 0 322.409 0.215 50 0 DCAARO Cc1cc(OC[C@H](O)C[NH+](CCO)CCO)ccc1Cl ZINC000002451895 395681503 /nfs/dbraw/zinc/68/15/03/395681503.db2.gz HVTOTVKARVYUNM-GFCCVEGCSA-N 1 0 303.786 0.675 50 0 DCAARO CC[NH+](CC)CCNC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000002591719 395681695 /nfs/dbraw/zinc/68/16/95/395681695.db2.gz UMVKIIXMAWNMOO-UHFFFAOYSA-N 1 0 302.378 0.924 50 0 DCAARO C[C@@H](CNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)[NH+](C)C ZINC000089900637 395716649 /nfs/dbraw/zinc/71/66/49/395716649.db2.gz PTPOBXMOUSSRFQ-ZFWWWQNUSA-N 1 0 319.405 0.480 50 0 DCAARO COc1ccc(CCNC(=O)CN2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000089939054 395717293 /nfs/dbraw/zinc/71/72/93/395717293.db2.gz QJOAEXITUDLBGH-AWEZNQCLSA-N 1 0 305.422 0.990 50 0 DCAARO CC[C@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC000089943403 395717638 /nfs/dbraw/zinc/71/76/38/395717638.db2.gz AJGOAMAMZXWMCU-QWHCGFSZSA-N 1 0 317.455 0.595 50 0 DCAARO Cc1noc(CCCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000084286670 395697475 /nfs/dbraw/zinc/69/74/75/395697475.db2.gz JIIUNZJPVDXSLH-KBPBESRZSA-N 1 0 322.409 0.758 50 0 DCAARO C[NH+](C)CCCNC(=O)[C@]1(c2ccccc2)CCCNC1=O ZINC000096027334 395741006 /nfs/dbraw/zinc/74/10/06/395741006.db2.gz HOCXPTTWTFMDJB-KRWDZBQOSA-N 1 0 303.406 0.902 50 0 DCAARO C[C@H]1CC[N@H+](CCCNS(C)(=O)=O)C[C@@H]1n1ccnc1 ZINC000096489091 395753745 /nfs/dbraw/zinc/75/37/45/395753745.db2.gz IHGDPHGCUMHUCB-STQMWFEESA-N 1 0 300.428 0.705 50 0 DCAARO O=C(NC[C@@H](O)C[NH+]1CCCC1)c1cc(C(F)(F)F)n[nH]1 ZINC000097675253 395759614 /nfs/dbraw/zinc/75/96/14/395759614.db2.gz ZYVBIHMQXYZXIB-MRVPVSSYSA-N 1 0 306.288 0.615 50 0 DCAARO Cc1nc(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)s1 ZINC000097759238 395760473 /nfs/dbraw/zinc/76/04/73/395760473.db2.gz YRUDOONXBZCYPZ-LLVKDONJSA-N 1 0 310.423 0.687 50 0 DCAARO CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1nccc2occc21 ZINC000195575268 395832291 /nfs/dbraw/zinc/83/22/91/395832291.db2.gz PZSIBCSZAXQPOA-CYBMUJFWSA-N 1 0 304.394 0.872 50 0 DCAARO CN(C[C@H](O)CN1CC[NH+](C)CC1)c1nccc2occc21 ZINC000195575270 395832315 /nfs/dbraw/zinc/83/23/15/395832315.db2.gz PZSIBCSZAXQPOA-ZDUSSCGKSA-N 1 0 304.394 0.872 50 0 DCAARO [NH3+]C1(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCCCCC1 ZINC000225467851 395860730 /nfs/dbraw/zinc/86/07/30/395860730.db2.gz DAIFCEBCFBGNEZ-GFCCVEGCSA-N 1 0 319.409 0.931 50 0 DCAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C2CC2)n[nH]1 ZINC000219923255 395847302 /nfs/dbraw/zinc/84/73/02/395847302.db2.gz TVVURHCUAWQNMX-IUODEOHRSA-N 1 0 322.409 0.753 50 0 DCAARO CN(C)c1ccc(CC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000220538706 395848682 /nfs/dbraw/zinc/84/86/82/395848682.db2.gz KDFSJBZTJUFXMI-IRXDYDNUSA-N 1 0 317.433 0.963 50 0 DCAARO C[N@@H+]1CCOC[C@@H](CNC(=O)Cn2cnc3ccccc32)C1 ZINC000220754175 395849400 /nfs/dbraw/zinc/84/94/00/395849400.db2.gz SHZPZMBMWMDFHH-ZDUSSCGKSA-N 1 0 302.378 0.731 50 0 DCAARO O=C(Cn1ccc(=O)cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000221424719 395851179 /nfs/dbraw/zinc/85/11/79/395851179.db2.gz YZMCBBZCJXJVKM-UHFFFAOYSA-N 1 0 305.378 0.172 50 0 DCAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1c[nH]c(=O)cc1O ZINC000223670233 395855950 /nfs/dbraw/zinc/85/59/50/395855950.db2.gz WCHOOSGOCBNOBE-UHFFFAOYSA-N 1 0 321.377 0.866 50 0 DCAARO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000054411044 395900116 /nfs/dbraw/zinc/90/01/16/395900116.db2.gz PYEUYWVLYRHHRG-CYBMUJFWSA-N 1 0 305.382 0.744 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000125817263 395906656 /nfs/dbraw/zinc/90/66/56/395906656.db2.gz ULBNBCQXBIWRDY-NSHDSACASA-N 1 0 308.382 0.061 50 0 DCAARO O=C(NCCn1cnnn1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244811351 395925445 /nfs/dbraw/zinc/92/54/45/395925445.db2.gz SBJAZOUZPBJBMH-HNNXBMFYSA-N 1 0 314.393 0.844 50 0 DCAARO CC(=O)N[C@H]1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N(C)C)n2)C1 ZINC000244866691 395926074 /nfs/dbraw/zinc/92/60/74/395926074.db2.gz WATYTYLVIUPWEZ-XQQFMLRXSA-N 1 0 318.425 0.462 50 0 DCAARO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000225533296 395861682 /nfs/dbraw/zinc/86/16/82/395861682.db2.gz DWMPVCWBPDJXJF-WCFLWFBJSA-N 1 0 301.770 0.426 50 0 DCAARO C[N@H+](C[C@@H](O)Cn1cccn1)C[C@@H]1CCCN1c1cccnn1 ZINC000229556109 395875670 /nfs/dbraw/zinc/87/56/70/395875670.db2.gz PEUZKZHFKNOAHV-LSDHHAIUSA-N 1 0 316.409 0.635 50 0 DCAARO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000229885194 395876618 /nfs/dbraw/zinc/87/66/18/395876618.db2.gz VNKFGBHXSURZPN-XZJROXQQSA-N 1 0 320.437 0.757 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C)CC1 ZINC000229828965 395876874 /nfs/dbraw/zinc/87/68/74/395876874.db2.gz BJDOVCPLBYQGOR-GOEBONIOSA-N 1 0 320.441 0.153 50 0 DCAARO COC[C@H](C)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000060939048 395965921 /nfs/dbraw/zinc/96/59/21/395965921.db2.gz YBMQDUFWOXGLOA-ZDUSSCGKSA-N 1 0 321.425 0.668 50 0 DCAARO CCc1cc(N2CC[C@H](NC(C)=O)C2)nc(N2CCOCC2)[nH+]1 ZINC000065387556 395992766 /nfs/dbraw/zinc/99/27/66/395992766.db2.gz VLXMHFNNAMFNJE-AWEZNQCLSA-N 1 0 319.409 0.590 50 0 DCAARO COC[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000065434508 395993468 /nfs/dbraw/zinc/99/34/68/395993468.db2.gz DUPSPZKTGVPHRX-CYBMUJFWSA-N 1 0 321.425 0.668 50 0 DCAARO C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCSC2)CC1(C)C ZINC000252508893 396022256 /nfs/dbraw/zinc/02/22/56/396022256.db2.gz XXAQRHRTRLBWOZ-GFCCVEGCSA-N 1 0 300.472 0.817 50 0 DCAARO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccnnc1 ZINC000253402315 396026889 /nfs/dbraw/zinc/02/68/89/396026889.db2.gz GGWCTUSTDMXPCN-JKSUJKDBSA-N 1 0 312.373 0.699 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccnc1SC ZINC000067774598 396033084 /nfs/dbraw/zinc/03/30/84/396033084.db2.gz ZNIZNJAPIMCBGJ-KOLCDFICSA-N 1 0 308.407 0.481 50 0 DCAARO Nc1ncccc1C[NH2+]C[C@]1(O)CCCN(CC2CC2)C1=O ZINC000067840996 396036404 /nfs/dbraw/zinc/03/64/04/396036404.db2.gz IMLBYDGXHMTGGV-MRXNPFEDSA-N 1 0 304.394 0.517 50 0 DCAARO CNc1ncccc1C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067847736 396036421 /nfs/dbraw/zinc/03/64/21/396036421.db2.gz NHUTVMHZAJURCB-UHFFFAOYSA-N 1 0 317.437 0.975 50 0 DCAARO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000257366053 396047013 /nfs/dbraw/zinc/04/70/13/396047013.db2.gz HQFVOSOXLBMAQP-OZVIIMIRSA-N 1 0 324.425 0.553 50 0 DCAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N1CCOC[C@H]1C ZINC000257365576 396047039 /nfs/dbraw/zinc/04/70/39/396047039.db2.gz SZZASPHXKVHGJS-MGPQQGTHSA-N 1 0 317.455 0.511 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)CC1 ZINC000257366268 396047104 /nfs/dbraw/zinc/04/71/04/396047104.db2.gz QBKWYJAOPWUOHF-DVOMOZLQSA-N 1 0 322.453 0.138 50 0 DCAARO CCNC(=O)N1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000068238596 396049879 /nfs/dbraw/zinc/04/98/79/396049879.db2.gz VGRYLEUHBGGRQG-AWEZNQCLSA-N 1 0 310.442 0.981 50 0 DCAARO O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277419949 396067279 /nfs/dbraw/zinc/06/72/79/396067279.db2.gz FXYPFINZCUVCPB-MVWJERBFSA-N 1 0 323.780 0.284 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000252079248 396019249 /nfs/dbraw/zinc/01/92/49/396019249.db2.gz FCAQUUAXCUOSSW-MGPQQGTHSA-N 1 0 324.425 0.301 50 0 DCAARO O=C(C[N@H+]1CCC[C@H]1CO)N[C@H]1CCN(c2ccccn2)C1 ZINC000252485998 396020709 /nfs/dbraw/zinc/02/07/09/396020709.db2.gz CHBMRFXNZJXXBH-KBPBESRZSA-N 1 0 304.394 0.233 50 0 DCAARO C[C@H]1CC[N@H+](CCCNS(C)(=O)=O)C[C@H]1n1ccnc1 ZINC000252486316 396021119 /nfs/dbraw/zinc/02/11/19/396021119.db2.gz IHGDPHGCUMHUCB-QWHCGFSZSA-N 1 0 300.428 0.705 50 0 DCAARO CCOCC[N@@H+]1CCN(c2ccc3nnnn3n2)C[C@@H]1CC ZINC000069697908 396087215 /nfs/dbraw/zinc/08/72/15/396087215.db2.gz FJBLVSVZCNHDNL-LBPRGKRZSA-N 1 0 305.386 0.456 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)n1 ZINC000069705945 396088008 /nfs/dbraw/zinc/08/80/08/396088008.db2.gz LPSVLSSURZZPFV-JKSUJKDBSA-N 1 0 323.441 0.052 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H]1CO)NC[C@@H]1COc2ccccc2O1 ZINC000069743726 396089661 /nfs/dbraw/zinc/08/96/61/396089661.db2.gz BSYDPSFPONLUCZ-CHWSQXEVSA-N 1 0 306.362 0.399 50 0 DCAARO CN(Cc1cccs1)C(=O)C[NH2+][C@H]1CCc2ncnn2C1 ZINC000069879805 396093671 /nfs/dbraw/zinc/09/36/71/396093671.db2.gz RISRROKWHOBLLR-NSHDSACASA-N 1 0 305.407 0.903 50 0 DCAARO O=C1CCCN1CCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069899728 396094251 /nfs/dbraw/zinc/09/42/51/396094251.db2.gz HURINRUXPIJWFQ-KRWDZBQOSA-N 1 0 317.433 0.960 50 0 DCAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2CCCS(N)(=O)=O)n1 ZINC000069947500 396095687 /nfs/dbraw/zinc/09/56/87/396095687.db2.gz OBZSNTJYBDBURI-ZDUSSCGKSA-N 1 0 300.428 0.643 50 0 DCAARO COc1cccc(S(=O)(=O)CC[NH2+]CCn2cccn2)c1 ZINC000070039709 396098842 /nfs/dbraw/zinc/09/88/42/396098842.db2.gz DTQXULZCJZKRKA-UHFFFAOYSA-N 1 0 309.391 0.955 50 0 DCAARO CCc1nc2n(n1)C[C@@H]([NH2+]CC(=O)Nc1nccs1)CC2 ZINC000071871772 396120573 /nfs/dbraw/zinc/12/05/73/396120573.db2.gz WRHZOFSPWLZZKH-VIFPVBQESA-N 1 0 306.395 0.840 50 0 DCAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]CC(=O)NC1CCOCC1)CC2 ZINC000071871857 396120810 /nfs/dbraw/zinc/12/08/10/396120810.db2.gz MMVXCRWQPNIOKM-CYBMUJFWSA-N 1 0 321.425 0.601 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)CC[N@@H+]1C[C@@H](C)O ZINC000071877549 396121135 /nfs/dbraw/zinc/12/11/35/396121135.db2.gz LLNNGOPJLMHJCG-RISCZKNCSA-N 1 0 323.441 0.742 50 0 DCAARO C[C@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000071877156 396121698 /nfs/dbraw/zinc/12/16/98/396121698.db2.gz ZVPQBHUFLXQWOG-NHYWBVRUSA-N 1 0 300.349 0.997 50 0 DCAARO CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1cnc2ccccc2n1 ZINC000071893788 396123603 /nfs/dbraw/zinc/12/36/03/396123603.db2.gz VBBPQLIRUCXOSS-CQSZACIVSA-N 1 0 315.421 0.674 50 0 DCAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nn1cnc2ccccc21 ZINC000071882587 396123764 /nfs/dbraw/zinc/12/37/64/396123764.db2.gz GUDSQVQVRYVEJD-CYBMUJFWSA-N 1 0 316.409 0.925 50 0 DCAARO CS(=O)(=O)NCC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000071907833 396124745 /nfs/dbraw/zinc/12/47/45/396124745.db2.gz HVGQZWAXPYPYFO-OAHLLOKOSA-N 1 0 312.435 0.908 50 0 DCAARO O=C(CC[NH2+]Cc1ccco1)N1CCN(c2ncccn2)CC1 ZINC000071924567 396125227 /nfs/dbraw/zinc/12/52/27/396125227.db2.gz RGGICDMLVKZUSD-UHFFFAOYSA-N 1 0 315.377 0.898 50 0 DCAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CCCO2)CC1 ZINC000071920298 396125585 /nfs/dbraw/zinc/12/55/85/396125585.db2.gz HSPFMSDZQGOZIA-LSDHHAIUSA-N 1 0 312.458 0.738 50 0 DCAARO C[C@H]([NH2+]CCn1cccn1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000072267809 396127951 /nfs/dbraw/zinc/12/79/51/396127951.db2.gz CMUMACVTGDEJGY-LBPRGKRZSA-N 1 0 316.361 0.906 50 0 DCAARO CN1CCN(C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C1=O ZINC000072267477 396128388 /nfs/dbraw/zinc/12/83/88/396128388.db2.gz SNHVMWWJPKWZSZ-AWEZNQCLSA-N 1 0 307.398 0.076 50 0 DCAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)C1CCOCC1 ZINC000072292499 396130142 /nfs/dbraw/zinc/13/01/42/396130142.db2.gz CQXNRFADMRRSJN-TZMCWYRMSA-N 1 0 317.455 0.511 50 0 DCAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1)C1CC1 ZINC000072300790 396130888 /nfs/dbraw/zinc/13/08/88/396130888.db2.gz MISFJFNXPIYAGY-KNHMANMVSA-N 1 0 322.409 0.211 50 0 DCAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1cccn2cnnc12 ZINC000072407852 396131477 /nfs/dbraw/zinc/13/14/77/396131477.db2.gz HYCDSJDLYAHENX-UHFFFAOYSA-N 1 0 311.349 0.600 50 0 DCAARO CCOc1cc2c(cc1NC(=O)CNC(=O)C[NH3+])O[C@H](C)C2 ZINC000261928954 396080560 /nfs/dbraw/zinc/08/05/60/396080560.db2.gz JEYYWEILLCMXFS-SECBINFHSA-N 1 0 307.350 0.422 50 0 DCAARO CC[NH+](CC)CC(=O)N1CCN(Cc2noc(C3CC3)n2)CC1 ZINC000069582215 396083566 /nfs/dbraw/zinc/08/35/66/396083566.db2.gz HMVZYXMTVCQWJQ-UHFFFAOYSA-N 1 0 321.425 0.933 50 0 DCAARO NC(=O)CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000069589222 396083835 /nfs/dbraw/zinc/08/38/35/396083835.db2.gz QNNRHFSORNWEKM-GFCCVEGCSA-N 1 0 311.407 0.305 50 0 DCAARO Cn1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)cn1 ZINC000069631779 396085637 /nfs/dbraw/zinc/08/56/37/396085637.db2.gz CQXVLIIKJQEMCG-UHFFFAOYSA-N 1 0 323.422 0.568 50 0 DCAARO Cc1nc(CN2CCC[C@@H]([N@H+](C)CCn3cncn3)C2)no1 ZINC000075130863 396176766 /nfs/dbraw/zinc/17/67/66/396176766.db2.gz CHKVOUAYIUHYFR-CYBMUJFWSA-N 1 0 305.386 0.566 50 0 DCAARO Cc1nnc(CN(C)CC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])n1C ZINC000262733008 396176798 /nfs/dbraw/zinc/17/67/98/396176798.db2.gz DTIZQLDVXOWDTN-AAEUAGOBSA-N 1 0 308.430 0.284 50 0 DCAARO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000075606043 396182382 /nfs/dbraw/zinc/18/23/82/396182382.db2.gz YZCPHROAXRJJSM-OLZOCXBDSA-N 1 0 322.409 0.404 50 0 DCAARO C[C@]1([C@H]2CCC[N@H+](CCc3ccncc3)C2)NC(=O)NC1=O ZINC000076059299 396196108 /nfs/dbraw/zinc/19/61/08/396196108.db2.gz FFRUIKUBULLSJD-XJKSGUPXSA-N 1 0 302.378 0.934 50 0 DCAARO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2C)cc1C(N)=O ZINC000078899119 396256969 /nfs/dbraw/zinc/25/69/69/396256969.db2.gz IXBOUKTXJQXCPC-GXFFZTMASA-N 1 0 311.407 0.322 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1C[C@@H]1Cc2ccccc2O1 ZINC000077408233 396221224 /nfs/dbraw/zinc/22/12/24/396221224.db2.gz ATXWBHBBNRYTOH-LBPRGKRZSA-N 1 0 301.346 0.664 50 0 DCAARO Cn1ncc(N2CCO[C@H](CC[NH2+]C3CCCC3)C2)cc1=O ZINC000077522745 396224860 /nfs/dbraw/zinc/22/48/60/396224860.db2.gz LTYNEDQGCPRFLM-OAHLLOKOSA-N 1 0 306.410 0.908 50 0 DCAARO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1ccnn1C ZINC000186658570 396354824 /nfs/dbraw/zinc/35/48/24/396354824.db2.gz VGHKIHZOWRYJJI-ZDUSSCGKSA-N 1 0 323.441 0.449 50 0 DCAARO CCOc1ccccc1N1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188024204 396377822 /nfs/dbraw/zinc/37/78/22/396377822.db2.gz UBPIWZSMVBJRQH-MRXNPFEDSA-N 1 0 319.405 0.722 50 0 DCAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000193329738 396449298 /nfs/dbraw/zinc/44/92/98/396449298.db2.gz QZHBNDFSCYQSGS-VIFPVBQESA-N 1 0 304.803 0.690 50 0 DCAARO CC(C)C(=O)NCC(=O)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000584890797 396633967 /nfs/dbraw/zinc/63/39/67/396633967.db2.gz FVYMJCNNMTYSST-AWEZNQCLSA-N 1 0 311.426 0.064 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](Cn2cnc3nccnc3c2=O)C1 ZINC000584902253 396637146 /nfs/dbraw/zinc/63/71/46/396637146.db2.gz UWEHUXVILGBGLL-GFCCVEGCSA-N 1 0 303.366 0.545 50 0 DCAARO C[C@@H](O)[C@@H](O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000585140257 396641334 /nfs/dbraw/zinc/64/13/34/396641334.db2.gz AXWAMOGQHHUWOQ-HIFRSBDPSA-N 1 0 308.378 0.935 50 0 DCAARO COc1cccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)c1 ZINC000299740946 396713203 /nfs/dbraw/zinc/71/32/03/396713203.db2.gz CFNHSVGUVIJWKU-HIFRSBDPSA-N 1 0 305.378 0.067 50 0 DCAARO CNC(=O)c1cc(S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C)cn1C ZINC000155955326 545846410 /nfs/dbraw/zinc/84/64/10/545846410.db2.gz VZYFKIRPOGFKJM-ZDUSSCGKSA-N 1 0 316.427 0.036 50 0 DCAARO CCOCCN1CC2(CCC1=O)CC[NH+](C[C@H](O)CO)CC2 ZINC000092078404 286082154 /nfs/dbraw/zinc/08/21/54/286082154.db2.gz QJAJMPHXTLRQOU-AWEZNQCLSA-N 1 0 314.426 0.081 50 0 DCAARO COc1ccc([C@H](CC(=O)N2CC[C@H]([NH3+])C2)NC(C)=O)cc1 ZINC000132351992 196247794 /nfs/dbraw/zinc/24/77/94/196247794.db2.gz GULLDJKSESIWHU-ZFWWWQNUSA-N 1 0 305.378 0.822 50 0 DCAARO C[C@@H]1CN(C(C)(C)CNC(=O)c2nccnc2N)C[C@H](C)O1 ZINC000021063657 415153698 /nfs/dbraw/zinc/15/36/98/415153698.db2.gz JUBWXBZYQRFFGS-PHIMTYICSA-N 1 0 307.398 0.676 50 0 DCAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCCC1 ZINC000006665611 415132525 /nfs/dbraw/zinc/13/25/25/415132525.db2.gz NIACTOTWNXQZPB-UHFFFAOYSA-N 1 0 316.365 0.080 50 0 DCAARO C[C@@H]1NC(=O)[C@H]2CN(Cc3cccc4cccnc43)CCN2C1=O ZINC000014741151 415148187 /nfs/dbraw/zinc/14/81/87/415148187.db2.gz LXBAJEOCERJMLI-SWLSCSKDSA-N 1 0 324.384 0.766 50 0 DCAARO CC(C)C[NH+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC(C)C ZINC000026647004 415169852 /nfs/dbraw/zinc/16/98/52/415169852.db2.gz QNNAZJNURYWNQY-UHFFFAOYSA-N 1 0 324.425 0.463 50 0 DCAARO Cn1cc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cn1 ZINC000040527970 415198102 /nfs/dbraw/zinc/19/81/02/415198102.db2.gz MJQKBGNMMPIBFE-UHFFFAOYSA-N 1 0 300.428 0.965 50 0 DCAARO COCCn1nc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1=O ZINC000044934313 415234994 /nfs/dbraw/zinc/23/49/94/415234994.db2.gz PFAKKXXQXJQGCF-LBPRGKRZSA-N 1 0 320.393 0.104 50 0 DCAARO NC(=O)NCCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000044870650 415228767 /nfs/dbraw/zinc/22/87/67/415228767.db2.gz MTXBZMNJTSXDGL-LBPRGKRZSA-N 1 0 308.382 0.981 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nnc2ccccc2c1=O ZINC000044890060 415228817 /nfs/dbraw/zinc/22/88/17/415228817.db2.gz PBOHKEGZDNJHSY-GFCCVEGCSA-N 1 0 315.377 0.392 50 0 DCAARO CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000048236242 415287892 /nfs/dbraw/zinc/28/78/92/415287892.db2.gz GHIYVXWOIDTGMW-CYBMUJFWSA-N 1 0 317.455 0.403 50 0 DCAARO NC(=O)CC[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000048545657 415296042 /nfs/dbraw/zinc/29/60/42/415296042.db2.gz ICDMSMWSEJHGNK-UHFFFAOYSA-N 1 0 314.187 0.237 50 0 DCAARO CCN(CCC[NH2+]C[C@H]1CNc2ccnn2C1)S(C)(=O)=O ZINC000058307323 415341459 /nfs/dbraw/zinc/34/14/59/415341459.db2.gz FNOSKSBTITUDFO-LBPRGKRZSA-N 1 0 315.443 0.186 50 0 DCAARO CN1CCc2n[nH]c(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)c2C1 ZINC000072148088 415411613 /nfs/dbraw/zinc/41/16/13/415411613.db2.gz PZBRAGHENZBSMC-GFCCVEGCSA-N 1 0 305.426 0.954 50 0 DCAARO CCc1nc(C)c(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)N(CC)CC)o1 ZINC000067559732 415378820 /nfs/dbraw/zinc/37/88/20/415378820.db2.gz OSLGXWIGHWQASP-RYUDHWBXSA-N 1 0 322.409 0.956 50 0 DCAARO CCN(CC)c1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC)cc1 ZINC000067714770 415384091 /nfs/dbraw/zinc/38/40/91/415384091.db2.gz RNEVDGROEDKRCK-ZFWWWQNUSA-N 1 0 318.421 0.821 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cccnc1 ZINC000067886287 415390658 /nfs/dbraw/zinc/39/06/58/415390658.db2.gz HHWOJFLRRQKMCJ-KGLIPLIRSA-N 1 0 304.394 0.421 50 0 DCAARO CCC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000084755297 415500871 /nfs/dbraw/zinc/50/08/71/415500871.db2.gz OWRAKTWQYNRYBL-UHFFFAOYSA-N 1 0 321.425 0.966 50 0 DCAARO O=C(C[NH2+]CCn1cccn1)NC[C@@H]1COc2ccccc2O1 ZINC000075133274 415437809 /nfs/dbraw/zinc/43/78/09/415437809.db2.gz PAXGSVXTYUUCNC-CYBMUJFWSA-N 1 0 316.361 0.429 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000075132673 415439617 /nfs/dbraw/zinc/43/96/17/415439617.db2.gz RIWIPHOBLFLESQ-IAQYHMDHSA-N 1 0 300.349 0.997 50 0 DCAARO CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075200455 415441430 /nfs/dbraw/zinc/44/14/30/415441430.db2.gz LDRVMZGPYUMUHP-CYBMUJFWSA-N 1 0 302.440 0.802 50 0 DCAARO Cc1cc(=O)[nH]c(NCCn2cc([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000095378751 415558402 /nfs/dbraw/zinc/55/84/02/415558402.db2.gz NWVLBOGMLKWLIO-LLVKDONJSA-N 1 0 303.370 0.249 50 0 DCAARO CC(=O)N1CCC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000095949713 415562007 /nfs/dbraw/zinc/56/20/07/415562007.db2.gz GGAAREXFPGDILJ-MRXNPFEDSA-N 1 0 301.390 0.828 50 0 DCAARO Cn1cccc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O ZINC000097080706 415581121 /nfs/dbraw/zinc/58/11/21/415581121.db2.gz KMZGIKARXOUKDI-MRXNPFEDSA-N 1 0 320.437 0.438 50 0 DCAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC000097143457 415586240 /nfs/dbraw/zinc/58/62/40/415586240.db2.gz JJMNFYLBPBRASN-PVAVHDDUSA-N 1 0 317.433 0.954 50 0 DCAARO Cn1nc(C(=O)N2CC[NH+](C3CCSCC3)CC2)ccc1=O ZINC000097155591 415587308 /nfs/dbraw/zinc/58/73/08/415587308.db2.gz ZWCDMZHNEGATHF-UHFFFAOYSA-N 1 0 322.434 0.434 50 0 DCAARO O[C@H]1COC[C@@H]1[N@@H+]1CCCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000097784890 415590543 /nfs/dbraw/zinc/59/05/43/415590543.db2.gz ZOASYAJMNSFUEA-HOTGVXAUSA-N 1 0 316.405 0.830 50 0 DCAARO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)NCc1ccco1 ZINC000107155610 415658696 /nfs/dbraw/zinc/65/86/96/415658696.db2.gz XCCCOZLMWLDUFA-SMDDNHRTSA-N 1 0 320.393 0.678 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2nccs2)CC[N@@H+]1C[C@H](C)O ZINC000107351146 415664548 /nfs/dbraw/zinc/66/45/48/415664548.db2.gz QSUUWYJILMVZSC-NWDGAFQWSA-N 1 0 312.439 0.859 50 0 DCAARO C[C@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)CC[NH2+]1 ZINC000155140342 415995185 /nfs/dbraw/zinc/99/51/85/415995185.db2.gz DVFRDRKQRGTKPF-LBPRGKRZSA-N 1 0 300.362 0.607 50 0 DCAARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000299738652 416064977 /nfs/dbraw/zinc/06/49/77/416064977.db2.gz DOBIPSVYGDJRLT-FVCCEPFGSA-N 1 0 305.444 0.542 50 0 DCAARO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cncc(F)c2)C1 ZINC000299768786 416066229 /nfs/dbraw/zinc/06/62/29/416066229.db2.gz MJCPOTMOWPDLMI-LLVKDONJSA-N 1 0 323.372 0.930 50 0 DCAARO Cc1nc(-c2cccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3O)c2)nn1C ZINC000299783151 416067551 /nfs/dbraw/zinc/06/75/51/416067551.db2.gz NZOCODSJMHLPQE-ZIAGYGMSSA-N 1 0 315.377 0.243 50 0 DCAARO COCCN1C[C@@H](C[NH+]2CCC(c3nnc[nH]3)CC2)CC1=O ZINC000299792537 416069286 /nfs/dbraw/zinc/06/92/86/416069286.db2.gz FHNDSICJJKGWAF-GFCCVEGCSA-N 1 0 307.398 0.479 50 0 DCAARO COCCN1C[C@@H](C[NH+]2CCN(c3cccnc3)CC2)CC1=O ZINC000299788156 416070146 /nfs/dbraw/zinc/07/01/46/416070146.db2.gz RXQAUZHGCLHUAI-OAHLLOKOSA-N 1 0 318.421 0.699 50 0 DCAARO O=C(CN1CCOCC1=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000253430257 416334774 /nfs/dbraw/zinc/33/47/74/416334774.db2.gz IOIHDCILCKECRD-UKRRQHHQSA-N 1 0 321.421 0.321 50 0 DCAARO COc1nccnc1O[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000225806584 416327771 /nfs/dbraw/zinc/32/77/71/416327771.db2.gz JGHVOQVRXWSVPS-CHWSQXEVSA-N 1 0 320.393 0.807 50 0 DCAARO CCOc1ccc(CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1OCC ZINC000236927415 416328292 /nfs/dbraw/zinc/32/82/92/416328292.db2.gz KUFLXPZDLNWZLC-UONOGXRCSA-N 1 0 322.405 0.866 50 0 DCAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncnc(N)c2Cl)CC1 ZINC000240412665 416330108 /nfs/dbraw/zinc/33/01/08/416330108.db2.gz FNQLGEJUVWHOEM-JTQLQIEISA-N 1 0 324.816 0.455 50 0 DCAARO CN(C)C(=O)N1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000244574997 416330323 /nfs/dbraw/zinc/33/03/23/416330323.db2.gz CUWKJJHEPPSICT-PHIMTYICSA-N 1 0 319.413 0.067 50 0 DCAARO Cc1nc(C)n(CCCNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)n1 ZINC000243901851 416330436 /nfs/dbraw/zinc/33/04/36/416330436.db2.gz BEVDTZZTHOSWJJ-TXEJJXNPSA-N 1 0 316.413 0.974 50 0 DCAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(c2ccnc3nncn32)CC1 ZINC000244724200 416330616 /nfs/dbraw/zinc/33/06/16/416330616.db2.gz MPRYCIYRKHYEAB-GFCCVEGCSA-N 1 0 317.397 0.146 50 0 DCAARO CCn1c(CN2C[C@H]3CC[C@@H](C2)[C@H]3O)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244724584 416330815 /nfs/dbraw/zinc/33/08/15/416330815.db2.gz MWVBSFLWNHQKKC-NYEGDDQHSA-N 1 0 305.426 0.705 50 0 DCAARO CN1CC[C@@H]([N@H+](C)CCC(=O)NCCn2cc(Cl)cn2)C1 ZINC000244659786 416330826 /nfs/dbraw/zinc/33/08/26/416330826.db2.gz HIQRPIRSWRCPHY-CYBMUJFWSA-N 1 0 313.833 0.679 50 0 DCAARO CN(C)c1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC(C(N)=O)CC2)n1 ZINC000244646892 416330924 /nfs/dbraw/zinc/33/09/24/416330924.db2.gz GRAXFLPNXDCTIM-TXEJJXNPSA-N 1 0 318.425 0.449 50 0 DCAARO COc1nc(C)cc(C)c1CNC(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000244840241 416331023 /nfs/dbraw/zinc/33/10/23/416331023.db2.gz UJPSTMNBOWBSEL-AWEZNQCLSA-N 1 0 320.437 0.959 50 0 DCAARO NC(=O)c1cccnc1N1CC[NH+](CCCn2cccn2)CC1 ZINC000244852559 416331141 /nfs/dbraw/zinc/33/11/41/416331141.db2.gz UUOXDWXZATYMIC-UHFFFAOYSA-N 1 0 314.393 0.589 50 0 DCAARO Cc1nc(N)ncc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000426436549 416765719 /nfs/dbraw/zinc/76/57/19/416765719.db2.gz LJPUSOQLMADPDY-UHFFFAOYSA-N 1 0 319.409 0.740 50 0 DCAARO [NH3+]C[C@H]1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000299739286 229372389 /nfs/dbraw/zinc/37/23/89/229372389.db2.gz MWNVMWGCALTVPQ-SECBINFHSA-N 1 0 303.284 0.674 50 0 DCAARO O=C1[C@H]2CCCN2C(=O)[C@@H]2C[C@H]([NH2+]Cc3ccccc3F)CN12 ZINC000014538356 275031007 /nfs/dbraw/zinc/03/10/07/275031007.db2.gz WHVCHPNHKQXVOS-CFVMTHIKSA-N 1 0 317.364 0.889 50 0 DCAARO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000156112865 278120421 /nfs/dbraw/zinc/12/04/21/278120421.db2.gz BZAAVLPFCIGYBW-SNVBAGLBSA-N 1 0 318.420 0.202 50 0 DCAARO C[C@@H](Cc1nc2c([nH]1)C(=O)NCC(C)(C)C2)N1CC[NH+](C)CC1 ZINC000095528500 278299451 /nfs/dbraw/zinc/29/94/51/278299451.db2.gz AUFMWXMYGQYITA-LBPRGKRZSA-N 1 0 319.453 0.900 50 0 DCAARO CCOc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000534581453 334289356 /nfs/dbraw/zinc/28/93/56/334289356.db2.gz BIKPXQVUHOEGSF-VXGBXAGGSA-N 1 0 300.380 0.005 50 0 DCAARO C[NH+](C)Cc1cc(CNC(=O)CCS(C)(=O)=O)ccc1F ZINC000096406922 337381839 /nfs/dbraw/zinc/38/18/39/337381839.db2.gz PAVWYPQOWJPZGU-UHFFFAOYSA-N 1 0 316.398 0.938 50 0 DCAARO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000190908588 337397144 /nfs/dbraw/zinc/39/71/44/337397144.db2.gz LKVNSWIGINNQBN-KBPBESRZSA-N 1 0 318.487 0.331 50 0 DCAARO O=C(NC[C@@H]1CCCC[C@H]1O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000262309456 534564067 /nfs/dbraw/zinc/56/40/67/534564067.db2.gz PMTHKGPGHDMIAF-SMDDNHRTSA-N 1 0 307.398 0.484 50 0 DCAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000178543175 534692440 /nfs/dbraw/zinc/69/24/40/534692440.db2.gz CIURIHFPOWCNBY-SECBINFHSA-N 1 0 306.757 0.737 50 0 DCAARO COc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1N1CCNC1=O ZINC000158373772 523634770 /nfs/dbraw/zinc/63/47/70/523634770.db2.gz DKLHGQZCTZIHMC-GFCCVEGCSA-N 1 0 318.377 0.788 50 0 DCAARO CC[NH+](CC)CCNC(=O)c1c(O)nc2cc(C)ccn2c1=O ZINC000020356052 545642749 /nfs/dbraw/zinc/64/27/49/545642749.db2.gz NRACBEBKSLHUEU-UHFFFAOYSA-N 1 0 318.377 0.780 50 0 DCAARO CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3nn(C)c(=O)n3C2)CC1(C)C ZINC000223963787 545942641 /nfs/dbraw/zinc/94/26/41/545942641.db2.gz QOYYZKQBCDHEFW-GFCCVEGCSA-N 1 0 321.425 0.087 50 0 DCAARO C[C@H](C(=O)N1CCC(CO)(C[NH+](C)C)CC1)N1CCCC1=O ZINC000670451069 547096403 /nfs/dbraw/zinc/09/64/03/547096403.db2.gz QJUHBKVYPNAWOR-CYBMUJFWSA-N 1 0 311.426 0.160 50 0 DCAARO CN1C[C@@]2(CC[N@H+](Cc3cccc4nonc43)C2)OCC1=O ZINC000670462495 547099337 /nfs/dbraw/zinc/09/93/37/547099337.db2.gz CHLDOVOPHIWZQJ-OAHLLOKOSA-N 1 0 302.334 0.656 50 0 DCAARO COCc1nnc(NC(=O)C[N@H+](C)C[C@H]2CCOC2)s1 ZINC000670468938 547100426 /nfs/dbraw/zinc/10/04/26/547100426.db2.gz YULTWZJIUSCEGB-SECBINFHSA-N 1 0 300.384 0.591 50 0 DCAARO Cc1ncc(CO)c(CN2CCC([N@H+](C)CCO)CC2)c1O ZINC000670468952 547100717 /nfs/dbraw/zinc/10/07/17/547100717.db2.gz WONRXVGPKPPVHR-UHFFFAOYSA-N 1 0 309.410 0.476 50 0 DCAARO O[C@@H](C[NH2+]CCc1ccccc1)COCCC[NH+]1CCOCC1 ZINC000005092971 660910957 /nfs/dbraw/zinc/91/09/57/660910957.db2.gz BPUNQXFFARECOO-SFHVURJKSA-N 1 0 322.449 0.919 50 0 DCAARO O=C(CN1CCCC1=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136971136 659294098 /nfs/dbraw/zinc/29/40/98/659294098.db2.gz VWRQJSWRUXRLJI-CYBMUJFWSA-N 1 0 309.410 0.226 50 0 DCAARO C[NH+](C)C1(C(=O)N2CCC[C@H]2C(N)=O)Cc2ccccc2C1 ZINC000011839623 666225597 /nfs/dbraw/zinc/22/55/97/666225597.db2.gz DWVBOSSIGHTJEC-AWEZNQCLSA-N 1 0 301.390 0.562 50 0 DCAARO C[C@H](Cc1ccsc1)NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952966497 685599022 /nfs/dbraw/zinc/59/90/22/685599022.db2.gz KAUMLQQYSZSSOA-YPMHNXCESA-N 1 0 309.435 0.993 50 0 DCAARO C[NH+](C)CCN(C[C@H]1CCCO1)S(=O)(=O)c1cn[nH]c1 ZINC000952984680 685601858 /nfs/dbraw/zinc/60/18/58/685601858.db2.gz LYFZHSPVXATSEF-LLVKDONJSA-N 1 0 302.400 0.141 50 0 DCAARO Cc1cc(N)n(CC(=O)N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)n1 ZINC000952982584 685602012 /nfs/dbraw/zinc/60/20/12/685602012.db2.gz BEPNEGZYTGOASP-AWEZNQCLSA-N 1 0 321.425 0.079 50 0 DCAARO COCCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CC[NH+](C)CC1 ZINC000072151158 685074886 /nfs/dbraw/zinc/07/48/86/685074886.db2.gz YQESYNXJIIXTAK-UHFFFAOYSA-N 1 0 324.381 0.048 50 0 DCAARO CSCC(=O)N1CCCN(C(=O)[C@]2(C)CC[N@H+](C)C2)CC1 ZINC001704300404 1179966695 /nfs/dbraw/zinc/96/66/95/1179966695.db2.gz VHOCYACEPICMNN-OAHLLOKOSA-N 1 0 313.467 0.752 50 0 DCAARO CN1C(=O)[C@H]2COC[C@@H]1C[N@@H+](Cc1ccc(C(N)=O)cc1)C2 ZINC001704304452 1179967056 /nfs/dbraw/zinc/96/70/56/1179967056.db2.gz FWEPGBGDEOVSMB-KGLIPLIRSA-N 1 0 303.362 0.075 50 0 DCAARO C[N@@H+]1C[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)OCO3)C2 ZINC001704310823 1179969791 /nfs/dbraw/zinc/96/97/91/1179969791.db2.gz UIEFRMSNMIZNBJ-KGLIPLIRSA-N 1 0 318.373 0.747 50 0 DCAARO O=C1N[C@@H]2COC[C@H]1C[N@H+](Cc1ccnn1-c1ccccc1)C2 ZINC001704316082 1179971372 /nfs/dbraw/zinc/97/13/72/1179971372.db2.gz VBPJXDSPCDNSSE-KGLIPLIRSA-N 1 0 312.373 0.819 50 0 DCAARO Cc1[nH+]c(N2CCCC2)nc(NC[C@H]2CN(C)C(=O)CO2)c1C ZINC001704335694 1179977976 /nfs/dbraw/zinc/97/79/76/1179977976.db2.gz QLGVABBQCNNRRW-ZDUSSCGKSA-N 1 0 319.409 0.963 50 0 DCAARO C[N@@H+]1CCC[C@]2(CO)CCN(C(=O)CCc3cn[nH]c3)C[C@@H]12 ZINC001704344412 1179980420 /nfs/dbraw/zinc/98/04/20/1179980420.db2.gz PQNYGSMSFXUQTC-GDBMZVCRSA-N 1 0 306.410 0.648 50 0 DCAARO OC[C@@]1(Cc2ccccc2)C[N@H+](CCn2cnnc2)CC[C@@H]1O ZINC001704350994 1179983555 /nfs/dbraw/zinc/98/35/55/1179983555.db2.gz LBWQDDOSIGSHFJ-DLBZAZTESA-N 1 0 316.405 0.566 50 0 DCAARO CCCn1cnnc1CN[C@H](C)CNS(=O)(=O)CCC ZINC000823031351 758218193 /nfs/dbraw/zinc/21/81/93/758218193.db2.gz WIWUFZLNVJHFKS-LLVKDONJSA-N 1 0 303.432 0.496 50 0 DCAARO CCCn1cnnc1CN[C@@H](C)CNS(=O)(=O)CCC ZINC000823031352 758219315 /nfs/dbraw/zinc/21/93/15/758219315.db2.gz WIWUFZLNVJHFKS-NSHDSACASA-N 1 0 303.432 0.496 50 0 DCAARO CC(C)[N@@H+]1CC[C@H](CN(C)CCCS(=O)(=O)N(C)C)C1 ZINC000823690450 758262031 /nfs/dbraw/zinc/26/20/31/758262031.db2.gz YCSJABKVJVDVBW-CQSZACIVSA-N 1 0 305.488 0.930 50 0 DCAARO C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC(=O)Nc1nncs1 ZINC000827814668 758886663 /nfs/dbraw/zinc/88/66/63/758886663.db2.gz WOFLLNKWEVPLCL-SNVBAGLBSA-N 1 0 311.411 0.857 50 0 DCAARO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000827864708 758890812 /nfs/dbraw/zinc/89/08/12/758890812.db2.gz UALQDDZNIFVWAK-LLVKDONJSA-N 1 0 306.395 0.515 50 0 DCAARO Cn1nccc1C[NH+]1CCC(CNC(=O)[C@H]2CCCO2)CC1 ZINC000828124116 758930250 /nfs/dbraw/zinc/93/02/50/758930250.db2.gz XFUCUZRWEDOQAS-OAHLLOKOSA-N 1 0 306.410 0.927 50 0 DCAARO C[NH+](C)C1(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)CC1 ZINC000585088420 766276274 /nfs/dbraw/zinc/27/62/74/766276274.db2.gz YWZRBVUMQDTNBS-ZDUSSCGKSA-N 1 0 306.362 0.301 50 0 DCAARO O=C(Cn1cccn1)NCC1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000952867272 768957168 /nfs/dbraw/zinc/95/71/68/768957168.db2.gz LPLZOJCIKOALJQ-OAHLLOKOSA-N 1 0 322.409 0.127 50 0 DCAARO Cc1cc(NC[C@@H]2CN(C)C(=O)CO2)nc(N2CCCC2)[nH+]1 ZINC000885938849 775066060 /nfs/dbraw/zinc/06/60/60/775066060.db2.gz BKFDDOUMBYQFCR-GFCCVEGCSA-N 1 0 305.382 0.654 50 0 DCAARO O=S(=O)(N1CCCCC1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001506398975 1017253876 /nfs/dbraw/zinc/25/38/76/1017253876.db2.gz IWMWIBQMXXDYNL-UHFFFAOYSA-N 1 0 303.428 0.172 50 0 DCAARO Cc1cc(C)n(C[C@@H](C)[N@@H+]2CCCN(CC(=O)N(C)C)CC2)n1 ZINC001506420887 1017266864 /nfs/dbraw/zinc/26/68/64/1017266864.db2.gz CEUWWQYFHSPEAK-MRXNPFEDSA-N 1 0 321.469 0.984 50 0 DCAARO Cn1ccnc1[C@H]1CCCN(C(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000095506264 185375585 /nfs/dbraw/zinc/37/55/85/185375585.db2.gz LPNAIAPRFAEKMB-HNNXBMFYSA-N 1 0 319.453 0.764 50 0 DCAARO O=C(CN1C[C@@H](Cc2ccccc2)CC1=O)N1CC[NH2+]CC1 ZINC000095529202 185378480 /nfs/dbraw/zinc/37/84/80/185378480.db2.gz GEWVZFPHPBRMSH-HNNXBMFYSA-N 1 0 301.390 0.509 50 0 DCAARO CC(C)NC(=O)CCc1cc2n(n1)CCC[N@H+](CCC(N)=O)C2 ZINC000082136914 192360152 /nfs/dbraw/zinc/36/01/52/192360152.db2.gz AYDIQZFPCSDFAZ-UHFFFAOYSA-N 1 0 321.425 0.421 50 0 DCAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000247003570 290686516 /nfs/dbraw/zinc/68/65/16/290686516.db2.gz OCDWKPYPZANZIT-UPJWGTAASA-N 1 0 305.444 0.272 50 0 DCAARO C/C=C/Cc1nnc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)o1 ZINC000071707736 191011157 /nfs/dbraw/zinc/01/11/57/191011157.db2.gz LXPQTQFKSWBYNG-QVWGBTSJSA-N 1 0 306.366 0.469 50 0 DCAARO CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)C[NH3+])C2 ZINC000071749972 191022099 /nfs/dbraw/zinc/02/20/99/191022099.db2.gz UBUZPIYNSZXJSH-UHFFFAOYSA-N 1 0 312.377 0.448 50 0 DCAARO NC(=O)[C@H]1CCCN(c2nc(-c3ccncc3)nc3c2C[NH2+]C3)C1 ZINC000072132989 191044972 /nfs/dbraw/zinc/04/49/72/191044972.db2.gz PXFHTGUSTBQTFU-LBPRGKRZSA-N 1 0 324.388 0.844 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)N1CCC(OCc2cccnc2)CC1 ZINC000072149271 191054878 /nfs/dbraw/zinc/05/48/78/191054878.db2.gz WSVAWFQOVALYEM-HNNXBMFYSA-N 1 0 319.405 0.968 50 0 DCAARO [NH3+][C@@H]1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000072141995 191048829 /nfs/dbraw/zinc/04/88/29/191048829.db2.gz OSTAHIRALYQJJX-CYBMUJFWSA-N 1 0 300.366 0.545 50 0 DCAARO CCc1ncc2c(n1)C[N@@H+](CCC(=O)N1CCOCC1)CC2 ZINC000072268491 191091291 /nfs/dbraw/zinc/09/12/91/191091291.db2.gz BVVSPDFRORBVRY-UHFFFAOYSA-N 1 0 304.394 0.646 50 0 DCAARO NC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000072277719 191098978 /nfs/dbraw/zinc/09/89/78/191098978.db2.gz FHMUVAJCDGVCMM-GFCCVEGCSA-N 1 0 309.391 0.254 50 0 DCAARO C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000237458383 186292225 /nfs/dbraw/zinc/29/22/25/186292225.db2.gz FUCAHOZTYKKQMG-ONGXEEELSA-N 1 0 300.355 0.548 50 0 DCAARO Cc1nc(C)n(CC(=O)N2CCC([NH+]3CCC(O)CC3)CC2)n1 ZINC000072430057 191162373 /nfs/dbraw/zinc/16/23/73/191162373.db2.gz FIDFSGOAGWKMOX-UHFFFAOYSA-N 1 0 321.425 0.343 50 0 DCAARO CCOC[C@@H](O)CNc1nc(C2CC2)nc2c1CC[NH2+]CC2 ZINC000072474515 191176574 /nfs/dbraw/zinc/17/65/74/191176574.db2.gz LJXBKGJQMUWLST-LBPRGKRZSA-N 1 0 306.410 0.852 50 0 DCAARO COCCNc1nc2c(c(N3CCSCC3)n1)CC[NH2+]CC2 ZINC000072477080 191178934 /nfs/dbraw/zinc/17/89/34/191178934.db2.gz HKZIYLWFNRALLO-UHFFFAOYSA-N 1 0 323.466 0.776 50 0 DCAARO COC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(OC)c(O)c2)C[C@H]1O ZINC000072477542 191179772 /nfs/dbraw/zinc/17/97/72/191179772.db2.gz CEZAVJJOHQEOQO-GXTWGEPZSA-N 1 0 324.377 0.940 50 0 DCAARO COc1ccc(N2C[C@@H](C(=O)N3CC[NH2+]CC3)CC2=O)cc1 ZINC000003602943 181038816 /nfs/dbraw/zinc/03/88/16/181038816.db2.gz JKGXLZWWNBGJSP-LBPRGKRZSA-N 1 0 303.362 0.480 50 0 DCAARO COc1ccccc1N1C[C@H](C(=O)N2CC[NH2+]CC2)CC1=O ZINC000003602935 181039103 /nfs/dbraw/zinc/03/91/03/181039103.db2.gz SHCJZCVGJSVRHE-GFCCVEGCSA-N 1 0 303.362 0.480 50 0 DCAARO CCc1nc(CN2CCN(C(=O)[C@H]3CCC[C@H]3[NH3+])CC2)no1 ZINC000237051746 202136165 /nfs/dbraw/zinc/13/61/65/202136165.db2.gz FKKWOOYZBBIDNL-NWDGAFQWSA-N 1 0 307.398 0.404 50 0 DCAARO COCC1(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000091644029 193083801 /nfs/dbraw/zinc/08/38/01/193083801.db2.gz PZSQCPZFYQTRRR-HUUCEWRRSA-N 1 0 310.438 0.966 50 0 DCAARO O=C([C@@H]1C[NH2+]CCO1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000091819163 193111993 /nfs/dbraw/zinc/11/19/93/193111993.db2.gz RQLBDYFGSQVRRJ-HNNXBMFYSA-N 1 0 307.369 0.853 50 0 DCAARO CN(C[C@@H](O)C[N@@H+]1CC[C@H](CCO)C1)C(=O)OC(C)(C)C ZINC000496829873 241260367 /nfs/dbraw/zinc/26/03/67/241260367.db2.gz BBMFBHBBRYWSRG-CHWSQXEVSA-N 1 0 302.415 0.919 50 0 DCAARO C[NH+](C)CCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000011781196 181705677 /nfs/dbraw/zinc/70/56/77/181705677.db2.gz SUEQDEXWERBHMX-UHFFFAOYSA-N 1 0 300.362 0.583 50 0 DCAARO Cc1cc(=O)n(C)c(=O)n1CCCCCC[NH+]1CCOCC1 ZINC000019855702 182157417 /nfs/dbraw/zinc/15/74/17/182157417.db2.gz LKFXYFIRIHGHRQ-UHFFFAOYSA-N 1 0 309.410 0.748 50 0 DCAARO Cc1nnc(-c2cnn(C)c2N)n1CCC[NH+]1CCOCC1 ZINC000020386498 182213305 /nfs/dbraw/zinc/21/33/05/182213305.db2.gz CAAHGHOSXOZKQY-UHFFFAOYSA-N 1 0 305.386 0.292 50 0 DCAARO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020434241 182216891 /nfs/dbraw/zinc/21/68/91/182216891.db2.gz JUFWSTBDMAHEJE-ZIAGYGMSSA-N 1 0 309.797 0.711 50 0 DCAARO CC(C)=CC[N@@H+]1CCN(Cc2cnc(N)nc2)C[C@@H]1CCO ZINC000020514345 182226552 /nfs/dbraw/zinc/22/65/52/182226552.db2.gz NAGWROVSNKHJAB-HNNXBMFYSA-N 1 0 305.426 0.894 50 0 DCAARO Cc1cc(F)ccc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000022913341 182340119 /nfs/dbraw/zinc/34/01/19/182340119.db2.gz VZTJURRATYUXNY-UHFFFAOYSA-N 1 0 315.414 0.660 50 0 DCAARO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000022918047 182341364 /nfs/dbraw/zinc/34/13/64/182341364.db2.gz CGTSIPNCQIPFPD-HNNXBMFYSA-N 1 0 324.421 0.829 50 0 DCAARO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000106064568 194184378 /nfs/dbraw/zinc/18/43/78/194184378.db2.gz ODKDGZIJAATCKW-MNOVXSKESA-N 1 0 322.409 0.359 50 0 DCAARO COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000106763322 194250069 /nfs/dbraw/zinc/25/00/69/194250069.db2.gz MFINMSJDDOZXDT-QWHCGFSZSA-N 1 0 312.414 0.999 50 0 DCAARO CCC[N@H+](CCO)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000052915286 183880088 /nfs/dbraw/zinc/88/00/88/183880088.db2.gz IUCNXBUWZCLHQL-CYBMUJFWSA-N 1 0 300.399 0.492 50 0 DCAARO COc1c(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c(C)nn1C ZINC000058355054 184107824 /nfs/dbraw/zinc/10/78/24/184107824.db2.gz DQHLTFUMBJDZQZ-UHFFFAOYSA-N 1 0 316.427 0.251 50 0 DCAARO Cc1nn(CCO)cc1CCC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058331918 184106870 /nfs/dbraw/zinc/10/68/70/184106870.db2.gz BTHOCCRHWFDHAV-AWEZNQCLSA-N 1 0 318.425 0.644 50 0 DCAARO O=C(C[NH2+]CCc1nc(-c2ccncc2)n[nH]1)Nc1cnccn1 ZINC000065430163 184343591 /nfs/dbraw/zinc/34/35/91/184343591.db2.gz XHNVPYLCRCUSAZ-UHFFFAOYSA-N 1 0 324.348 0.428 50 0 DCAARO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC2)cn1 ZINC000065458385 184348060 /nfs/dbraw/zinc/34/80/60/184348060.db2.gz RAPDDLNKLULNDM-NSHDSACASA-N 1 0 307.398 0.927 50 0 DCAARO CCCNC(=O)CC[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000065475085 184351939 /nfs/dbraw/zinc/35/19/39/184351939.db2.gz WDODUKWMANSZGJ-UHFFFAOYSA-N 1 0 323.441 0.571 50 0 DCAARO COCC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000065540759 184363328 /nfs/dbraw/zinc/36/33/28/184363328.db2.gz CNCYOPHKPRYLHC-UHFFFAOYSA-N 1 0 313.442 0.575 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1c[nH]nc1C1CCCCC1 ZINC000067758597 184485102 /nfs/dbraw/zinc/48/51/02/184485102.db2.gz LJNNEKPJQOOZAZ-AAEUAGOBSA-N 1 0 319.409 0.745 50 0 DCAARO C[C@@H]1CCCN(C(=O)c2cnc3sccn3c2=O)[C@@H]1C[NH3+] ZINC000237451806 296383296 /nfs/dbraw/zinc/38/32/96/296383296.db2.gz UQYINQKIFHCZEH-MWLCHTKSSA-N 1 0 306.391 0.955 50 0 DCAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1cnnn1 ZINC000524731994 257213861 /nfs/dbraw/zinc/21/38/61/257213861.db2.gz SCMKJFYOBCIIAO-UONOGXRCSA-N 1 0 306.414 0.786 50 0 biogenic DCAARO [NH3+]CCOc1ccc(CC(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000426690330 257244574 /nfs/dbraw/zinc/24/45/74/257244574.db2.gz QTTCFFAXZRTLDD-CYBMUJFWSA-N 1 0 319.361 0.230 50 0 DCAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)N1CCn2cncc2C1 ZINC000426421871 257250187 /nfs/dbraw/zinc/25/01/87/257250187.db2.gz MIVILHFZFPRNHC-ZDUSSCGKSA-N 1 0 314.393 0.589 50 0 DCAARO COCCc1nc(CNC(=O)N(C)C2CC[NH+](C)CC2)no1 ZINC000426442967 257250298 /nfs/dbraw/zinc/25/02/98/257250298.db2.gz OCYZNPZPSLGOIT-UHFFFAOYSA-N 1 0 311.386 0.494 50 0 DCAARO C[NH+](C)CCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000000485621 395680429 /nfs/dbraw/zinc/68/04/29/395680429.db2.gz KNRDNQSURQBJJM-UHFFFAOYSA-N 1 0 313.361 0.496 50 0 biogenic DCAARO Cc1c(C)n(C[C@@H](O)C[NH+](CCO)CCO)c2ccccc12 ZINC000000465789 395680444 /nfs/dbraw/zinc/68/04/44/395680444.db2.gz VIMSLVLTVNXVKT-HNNXBMFYSA-N 1 0 306.406 0.906 50 0 DCAARO OCC[NH+](CCO)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000002337724 395681447 /nfs/dbraw/zinc/68/14/47/395681447.db2.gz CTYGHMSAVUCPKO-MRXNPFEDSA-N 1 0 305.374 0.866 50 0 DCAARO OCC[NH+](CCO)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000002686819 395681857 /nfs/dbraw/zinc/68/18/57/395681857.db2.gz LTBRAHAUVQHJAX-AWEZNQCLSA-N 1 0 303.786 0.504 50 0 DCAARO Cc1cc(OC[C@@H](O)C[NH+](CCO)CCO)cc(C)c1Cl ZINC000002940773 395682106 /nfs/dbraw/zinc/68/21/06/395682106.db2.gz ZQQGFHAUKBOKRT-ZDUSSCGKSA-N 1 0 317.813 0.983 50 0 DCAARO Cc1cccc(CC(=O)N2CCOC[C@@H]2C[N@H+](C)CCO)c1 ZINC000085470022 395701305 /nfs/dbraw/zinc/70/13/05/395701305.db2.gz BHJLJLRRTAOPGX-INIZCTEOSA-N 1 0 306.406 0.689 50 0 DCAARO Cc1nn(C)c(Cl)c1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000030656114 395704018 /nfs/dbraw/zinc/70/40/18/395704018.db2.gz UVVAGWGHKDQMQX-UHFFFAOYSA-N 1 0 320.846 0.896 50 0 DCAARO C[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)cc1)C(N)=O ZINC000032592916 395711365 /nfs/dbraw/zinc/71/13/65/395711365.db2.gz OBICXQVSULYRPQ-CYBMUJFWSA-N 1 0 307.394 0.361 50 0 DCAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CNC(=O)N1 ZINC000089794425 395715407 /nfs/dbraw/zinc/71/54/07/395715407.db2.gz XVPPRSQTKUINDN-VXGBXAGGSA-N 1 0 306.366 0.604 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)c2nncn2C)C1 ZINC000089840200 395715907 /nfs/dbraw/zinc/71/59/07/395715907.db2.gz HTUXAQYNYFABCB-STQMWFEESA-N 1 0 324.429 0.532 50 0 DCAARO CC(C)N1C(=O)N[C@@]2(CC[N@H+](CCCc3cnn(C)c3)C2)C1=O ZINC000084597345 395698293 /nfs/dbraw/zinc/69/82/93/395698293.db2.gz DTXYBQNMSFIYPC-MRXNPFEDSA-N 1 0 319.409 0.757 50 0 DCAARO CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000037811542 395729176 /nfs/dbraw/zinc/72/91/76/395729176.db2.gz MZIMITCXMMJJKL-QWHCGFSZSA-N 1 0 311.407 0.227 50 0 DCAARO CCc1ncncc1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096436445 395753450 /nfs/dbraw/zinc/75/34/50/395753450.db2.gz QTTVSHVSRFUIAJ-ZDUSSCGKSA-N 1 0 306.410 0.862 50 0 DCAARO CCC[N@@H+]1CCN(CC(=O)NCc2ccccn2)C[C@H](O)C1 ZINC000097635119 395759598 /nfs/dbraw/zinc/75/95/98/395759598.db2.gz YCWLNVNOPAHDOF-OAHLLOKOSA-N 1 0 306.410 0.086 50 0 DCAARO Cc1nc(N)ncc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000219288854 395844822 /nfs/dbraw/zinc/84/48/22/395844822.db2.gz PFJBEPYFQIZOKB-ZDUSSCGKSA-N 1 0 319.409 0.740 50 0 DCAARO CN(CCCN1CCOCC1)c1cc([C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000219085382 395844854 /nfs/dbraw/zinc/84/48/54/395844854.db2.gz ASHLACLDALZEFG-HDJSIYSDSA-N 1 0 305.426 0.840 50 0 DCAARO C[C@@H]1C[N@@H+](CCC(=O)NCc2cnn3cccnc23)C[C@H](C)O1 ZINC000220242713 395847891 /nfs/dbraw/zinc/84/78/91/395847891.db2.gz QKSSKSRWNWJHGX-BETUJISGSA-N 1 0 317.393 0.845 50 0 DCAARO COc1cc2c(cc1OC)CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC000237408221 395911643 /nfs/dbraw/zinc/91/16/43/395911643.db2.gz FNUMAPYUXRTKOO-CHWSQXEVSA-N 1 0 306.362 0.311 50 0 DCAARO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000225747366 395863075 /nfs/dbraw/zinc/86/30/75/395863075.db2.gz OSCOVMOZBOVKBL-KKUMJFAQSA-N 1 0 323.437 0.567 50 0 DCAARO Fc1ccc(N2CCN(CCNC3=[NH+]CCCN3)CC2)cc1 ZINC000058245882 395952337 /nfs/dbraw/zinc/95/23/37/395952337.db2.gz CPWATYDFMHWLLE-UHFFFAOYSA-N 1 0 305.401 0.887 50 0 DCAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000058425744 395953145 /nfs/dbraw/zinc/95/31/45/395953145.db2.gz KIYACSQNPIVHDD-HNNXBMFYSA-N 1 0 311.389 0.695 50 0 DCAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000247003537 395963578 /nfs/dbraw/zinc/96/35/78/395963578.db2.gz OCDWKPYPZANZIT-AGIUHOORSA-N 1 0 305.444 0.272 50 0 DCAARO O[C@H](COCc1ccco1)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000247768819 395978491 /nfs/dbraw/zinc/97/84/91/395978491.db2.gz NAHBSSURSLWONH-KBPBESRZSA-N 1 0 306.366 0.913 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@](C)(CO)C1CC1 ZINC000151158385 395980638 /nfs/dbraw/zinc/98/06/38/395980638.db2.gz OHBNGYRSODDREY-MRXNPFEDSA-N 1 0 308.426 0.816 50 0 DCAARO CN1CCO[C@H](C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000248163492 395983593 /nfs/dbraw/zinc/98/35/93/395983593.db2.gz YTGUSCDNUHBHQF-HIFRSBDPSA-N 1 0 319.405 0.547 50 0 DCAARO Cn1ncc2c1ncnc2N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000065441011 395994464 /nfs/dbraw/zinc/99/44/64/395994464.db2.gz DEGHKQAIHRCMJG-LBPRGKRZSA-N 1 0 304.398 0.910 50 0 DCAARO COCc1nnc(NC(=O)CN2CC[NH+](C(C)C)CC2)s1 ZINC000252509851 396022284 /nfs/dbraw/zinc/02/22/84/396022284.db2.gz YWXOURRFYYLLND-UHFFFAOYSA-N 1 0 313.427 0.649 50 0 DCAARO CCCC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)C(N)=O ZINC000252675849 396024185 /nfs/dbraw/zinc/02/41/85/396024185.db2.gz VGRSHNWZTTVZIG-UTUOFQBUSA-N 1 0 305.444 0.290 50 0 DCAARO CC(C)NC(=O)NCC[C@H]1CN(C2CC[NH+](C)CC2)CCO1 ZINC000067514478 396027766 /nfs/dbraw/zinc/02/77/66/396027766.db2.gz MOFLQANCKXYIOM-HNNXBMFYSA-N 1 0 312.458 0.879 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(N)nc1 ZINC000067643275 396030225 /nfs/dbraw/zinc/03/02/25/396030225.db2.gz FBWQSWILLMHYJU-RYUDHWBXSA-N 1 0 305.382 0.074 50 0 DCAARO CNS(=O)(=O)c1csc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000154133919 396032136 /nfs/dbraw/zinc/03/21/36/396032136.db2.gz PLGYMIPKUHJAEZ-DTORHVGOSA-N 1 0 317.436 0.479 50 0 DCAARO COCCOC(=O)N[C@@H](c1nnc2n1CC[NH2+]CC2)C(C)C ZINC000067754442 396032391 /nfs/dbraw/zinc/03/23/91/396032391.db2.gz YVJBQWQLDUCRMK-GFCCVEGCSA-N 1 0 311.386 0.494 50 0 DCAARO CN(Cc1[nH]nc2c1CCCCC2)C(=O)[C@@H]1C[C@H]([NH3+])CN1C ZINC000067804030 396034383 /nfs/dbraw/zinc/03/43/83/396034383.db2.gz LESZFRABVMBQEQ-NHYWBVRUSA-N 1 0 305.426 0.668 50 0 DCAARO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)N(C)C2CCOCC2)C1 ZINC000257366463 396047209 /nfs/dbraw/zinc/04/72/09/396047209.db2.gz ZNPKSGCMQXNTCD-GXTWGEPZSA-N 1 0 319.471 0.660 50 0 DCAARO CCOc1ccnc(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000069702759 396087884 /nfs/dbraw/zinc/08/78/84/396087884.db2.gz PXZGXQBYTGPQAB-ZDUSSCGKSA-N 1 0 319.409 0.476 50 0 DCAARO O=C(C[NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)N1CCC1 ZINC000069779081 396090445 /nfs/dbraw/zinc/09/04/45/396090445.db2.gz AMWBXCKOTQGJAM-ZDUSSCGKSA-N 1 0 319.409 0.733 50 0 DCAARO CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)CCO1 ZINC000069841454 396092145 /nfs/dbraw/zinc/09/21/45/396092145.db2.gz ZUHQHHIITZRSGN-LSDHHAIUSA-N 1 0 321.425 0.628 50 0 DCAARO C[NH+](C)CCNC(=O)c1[nH]nc2c1CN(C(=O)C1CCC1)CC2 ZINC000169792324 396094073 /nfs/dbraw/zinc/09/40/73/396094073.db2.gz SQAFTKQERUTTEE-UHFFFAOYSA-N 1 0 319.409 0.386 50 0 DCAARO Cc1cnn(C[C@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)c1 ZINC000070039490 396099305 /nfs/dbraw/zinc/09/93/05/396099305.db2.gz ROUYNXWPQUHRSW-OAHLLOKOSA-N 1 0 306.410 0.905 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccncn3)C2)CC1 ZINC000071775566 396114315 /nfs/dbraw/zinc/11/43/15/396114315.db2.gz OELBOLTZLXGFLP-CQSZACIVSA-N 1 0 317.437 0.899 50 0 DCAARO O=C1OCCN1CCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000071864082 396119266 /nfs/dbraw/zinc/11/92/66/396119266.db2.gz ZDXQANUNAHDDPW-INIZCTEOSA-N 1 0 319.405 0.790 50 0 DCAARO O=C(C[NH2+][C@H]1CCc2ncnn2C1)N1CCc2sccc2C1 ZINC000071871736 396120359 /nfs/dbraw/zinc/12/03/59/396120359.db2.gz XDNCIODDJLWUQL-LBPRGKRZSA-N 1 0 317.418 0.829 50 0 DCAARO COCC[NH2+]CC(=O)NCc1cc(OC)c(OC)cc1OC ZINC000262305281 396120745 /nfs/dbraw/zinc/12/07/45/396120745.db2.gz OZWYVHGJADWKGB-UHFFFAOYSA-N 1 0 312.366 0.565 50 0 DCAARO CN1CCO[C@H](C[NH2+]C[C@H](O)c2ccc3c(c2)OCCO3)C1 ZINC000071877184 396121041 /nfs/dbraw/zinc/12/10/41/396121041.db2.gz SWDWIKKHIZCEGQ-KGLIPLIRSA-N 1 0 308.378 0.411 50 0 DCAARO CN1CCO[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000071877195 396121280 /nfs/dbraw/zinc/12/12/80/396121280.db2.gz MNGFHRNEZSCNHS-ZFWWWQNUSA-N 1 0 314.813 1.000 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C[C@H](O)c2ccc3c(c2)OCO3)CCO1 ZINC000071877057 396121524 /nfs/dbraw/zinc/12/15/24/396121524.db2.gz STDUVQMYBDVGCD-KGLIPLIRSA-N 1 0 308.378 0.711 50 0 DCAARO CCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)COCc1ccco1)CC2 ZINC000071876945 396121857 /nfs/dbraw/zinc/12/18/57/396121857.db2.gz FPIFAHXMULPSLL-STQMWFEESA-N 1 0 320.393 0.916 50 0 DCAARO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000071907849 396124253 /nfs/dbraw/zinc/12/42/53/396124253.db2.gz XLFOUIVUCCAQQW-CYBMUJFWSA-N 1 0 321.402 0.781 50 0 DCAARO COC[C@@H]([NH3+])C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000262343579 396128083 /nfs/dbraw/zinc/12/80/83/396128083.db2.gz TUJNLCRNSQCUBT-CQSZACIVSA-N 1 0 300.362 0.731 50 0 DCAARO COCCNC(=O)CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000072275094 396129156 /nfs/dbraw/zinc/12/91/56/396129156.db2.gz LGUYHDKERQLNAN-UHFFFAOYSA-N 1 0 317.433 0.534 50 0 DCAARO C[C@@H](CNC(=O)N1CCN(Cc2ccon2)CC1)[N@H+](C)C1CC1 ZINC000074100659 396157489 /nfs/dbraw/zinc/15/74/89/396157489.db2.gz DOIXCEVBDAXPPR-ZDUSSCGKSA-N 1 0 321.425 0.985 50 0 DCAARO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000074161934 396159087 /nfs/dbraw/zinc/15/90/87/396159087.db2.gz JQCCSLJKVNWANK-CQSZACIVSA-N 1 0 321.425 0.844 50 0 DCAARO CCc1nnc(-c2cc(S(=O)(=O)NCC[NH+](C)C)c[nH]2)o1 ZINC000075428001 396180199 /nfs/dbraw/zinc/18/01/99/396180199.db2.gz WVZIDEQPWPIMJJ-UHFFFAOYSA-N 1 0 313.383 0.467 50 0 DCAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000075606040 396182537 /nfs/dbraw/zinc/18/25/37/396182537.db2.gz YZCPHROAXRJJSM-QWHCGFSZSA-N 1 0 322.409 0.404 50 0 DCAARO C[C@]1([C@H]2CCC[N@H+](CCOCC(F)(F)F)C2)NC(=O)NC1=O ZINC000076059172 396194742 /nfs/dbraw/zinc/19/47/42/396194742.db2.gz FOKKHPMMYJAFAV-JOYOIKCWSA-N 1 0 323.315 0.875 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH3+])C2)ccc1F ZINC000178544253 396198845 /nfs/dbraw/zinc/19/88/45/396198845.db2.gz ZGZBHIBCTSVANG-VIFPVBQESA-N 1 0 315.370 0.155 50 0 DCAARO O=C(CCN1CCCC1=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000078789261 396254601 /nfs/dbraw/zinc/25/46/01/396254601.db2.gz WEFYPMTXTBGCNQ-KGLIPLIRSA-N 1 0 309.410 0.057 50 0 DCAARO [NH3+]CCn1cc(C(=O)NCc2cccc(N3CCCC3)c2)nn1 ZINC000077488808 396224309 /nfs/dbraw/zinc/22/43/09/396224309.db2.gz GMZBCNPZDAXMLL-UHFFFAOYSA-N 1 0 314.393 0.767 50 0 DCAARO Cn1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000077760531 396231026 /nfs/dbraw/zinc/23/10/26/396231026.db2.gz KIIMAFPKMQLNCU-LBPRGKRZSA-N 1 0 305.382 0.445 50 0 DCAARO O=C(CCN1CCCS1(=O)=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269185396 396392659 /nfs/dbraw/zinc/39/26/59/396392659.db2.gz FVBQLPWSAICTCE-UHFFFAOYSA-N 1 0 323.418 0.696 50 0 DCAARO C[C@H](CN1CCOCC1)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC000584889088 396632988 /nfs/dbraw/zinc/63/29/88/396632988.db2.gz ACWRBVMGQFOBQT-OAHLLOKOSA-N 1 0 324.469 0.977 50 0 DCAARO Cc1nonc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000584887772 396633471 /nfs/dbraw/zinc/63/34/71/396633471.db2.gz MKCFMBJAUARPBW-GFCCVEGCSA-N 1 0 308.382 0.885 50 0 DCAARO C[C@H](C(=O)NCCC1N=NC(=O)N1C)[N@H+](C)C1CCCCC1 ZINC000584896757 396635896 /nfs/dbraw/zinc/63/58/96/396635896.db2.gz RNUCWQHDOHZQBP-LLVKDONJSA-N 1 0 309.414 0.832 50 0 DCAARO Cc1n[nH]c(C)c1CCCN(C)C(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000584900037 396636357 /nfs/dbraw/zinc/63/63/57/396636357.db2.gz UYWCEYCQZZMLNX-CQSZACIVSA-N 1 0 308.426 0.874 50 0 DCAARO CN(CC(=O)N1Cc2ccccc2[C@H](O)C1)C1CC[NH2+]CC1 ZINC000584900218 396636575 /nfs/dbraw/zinc/63/65/75/396636575.db2.gz DOFDLVGGNMTFMS-MRXNPFEDSA-N 1 0 303.406 0.746 50 0 DCAARO CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)C1CCS(=O)(=O)CC1 ZINC000584903173 396637350 /nfs/dbraw/zinc/63/73/50/396637350.db2.gz PPOVYUDGWJSYNZ-LBPRGKRZSA-N 1 0 300.424 0.412 50 0 DCAARO O=C(NC[C@@H](O)c1ccc(F)cc1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000585136921 396641446 /nfs/dbraw/zinc/64/14/46/396641446.db2.gz YRAOHXSAQVGTEH-GDBMZVCRSA-N 1 0 321.352 0.874 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000606441815 397681222 /nfs/dbraw/zinc/68/12/22/397681222.db2.gz YTYZXGUDLRPPOB-VVEJJEBESA-N 1 0 323.418 0.428 50 0 DCAARO CN(C)C(=O)N1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000044529589 415220042 /nfs/dbraw/zinc/22/00/42/415220042.db2.gz ZZVUWQRLUINDSV-UHFFFAOYSA-N 1 0 310.442 0.982 50 0 DCAARO CNC(=O)C[N@H+](C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000044975303 415239675 /nfs/dbraw/zinc/23/96/75/415239675.db2.gz NASBLJAAECZVIL-ZDUSSCGKSA-N 1 0 304.394 0.692 50 0 DCAARO O=C(NCc1ccc(F)cc1Br)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269241838 415250030 /nfs/dbraw/zinc/25/00/30/415250030.db2.gz IFFYCDVQQRRLRT-GXSJLCMTSA-N 1 0 317.158 0.927 50 0 DCAARO CC[N@@H+]1CCC[C@@](O)(CN2CCN(c3ncccn3)CC2)C1 ZINC000046087452 415257021 /nfs/dbraw/zinc/25/70/21/415257021.db2.gz VGSUZRONTSJHCR-INIZCTEOSA-N 1 0 305.426 0.445 50 0 DCAARO CC[C@@H]1CN(c2ncnc3c2cnn3C)CC[N@@H+]1CCOC ZINC000069738100 415397431 /nfs/dbraw/zinc/39/74/31/415397431.db2.gz YIJFCXSJLFJXGM-GFCCVEGCSA-N 1 0 304.398 0.910 50 0 DCAARO Cc1[nH][nH]c(=O)c1CC(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067649255 415379491 /nfs/dbraw/zinc/37/94/91/415379491.db2.gz DINQSWPROZGQBG-UHFFFAOYSA-N 1 0 321.425 0.205 50 0 DCAARO CCc1ncc(C(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)cn1 ZINC000095356549 415555685 /nfs/dbraw/zinc/55/56/85/415555685.db2.gz QXXCQFKNQGORQO-MRXNPFEDSA-N 1 0 306.410 0.958 50 0 DCAARO Cn1nnnc1SCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095381379 415560152 /nfs/dbraw/zinc/56/01/52/415560152.db2.gz DVIRRNSSHORCPO-LLVKDONJSA-N 1 0 312.443 0.683 50 0 DCAARO CN1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000095954275 415564454 /nfs/dbraw/zinc/56/44/54/415564454.db2.gz JZVUSLIQIOEYKA-ZDUSSCGKSA-N 1 0 316.405 0.641 50 0 DCAARO NC(=O)c1cccc(N2CC[N@H+](Cc3ccco3)C[C@H](O)C2)n1 ZINC000097136919 415585334 /nfs/dbraw/zinc/58/53/34/415585334.db2.gz PNLSUOJGOXEVAF-LBPRGKRZSA-N 1 0 316.361 0.457 50 0 DCAARO C[C@@H]1CN(C(=O)COc2ccc(CC(N)=O)cc2)C[C@@H](C)[NH2+]1 ZINC000153617207 415984366 /nfs/dbraw/zinc/98/43/66/415984366.db2.gz GGSLSBMKEUJYIQ-VXGBXAGGSA-N 1 0 305.378 0.302 50 0 DCAARO Cc1sc(C(=O)N2CCC[C@@H]2C[NH3+])cc1S(N)(=O)=O ZINC000299739991 416063975 /nfs/dbraw/zinc/06/39/75/416063975.db2.gz UNLVZPLZBVDSNL-MRVPVSSYSA-N 1 0 303.409 0.267 50 0 DCAARO O=C(CC[NH+]1CCCCC1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299766794 416065372 /nfs/dbraw/zinc/06/53/72/416065372.db2.gz FOMMGIVIBXTESI-GJZGRUSLSA-N 1 0 319.409 0.826 50 0 DCAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)Cn1cccc1 ZINC000299773898 416066533 /nfs/dbraw/zinc/06/65/33/416066533.db2.gz GSNCCXBFUWQYCM-AWEZNQCLSA-N 1 0 306.410 0.547 50 0 DCAARO COCC[N@@H+]1CC[C@H](CN(C)C(=O)CCc2cnn(C)c2)C1 ZINC000299780926 416067085 /nfs/dbraw/zinc/06/70/85/416067085.db2.gz AUNRFQSOTXQJHR-OAHLLOKOSA-N 1 0 308.426 0.779 50 0 DCAARO CN(CC(=O)OC(C)(C)C)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000191986678 416295475 /nfs/dbraw/zinc/29/54/75/416295475.db2.gz LHOOUIUPGXTBBO-CYBMUJFWSA-N 1 0 311.426 0.613 50 0 DCAARO CN(Cc1ccc2nonc2c1)C(=O)CN(C)C1CC[NH2+]CC1 ZINC000216351694 416327402 /nfs/dbraw/zinc/32/74/02/416327402.db2.gz JAVZRCIRHLSZDG-UHFFFAOYSA-N 1 0 317.393 0.865 50 0 DCAARO C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC1)c1nnnn1C1CC1 ZINC000240471654 416330086 /nfs/dbraw/zinc/33/00/86/416330086.db2.gz GDMFLMGPVJFVPE-SNVBAGLBSA-N 1 0 307.402 0.805 50 0 DCAARO Cc1n[nH]c(C)c1CCCNC(=O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000240662404 416330226 /nfs/dbraw/zinc/33/02/26/416330226.db2.gz PKSBUQXXIYFVFC-AWEZNQCLSA-N 1 0 307.442 0.711 50 0 DCAARO CNc1ncc(CN(C)Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)cn1 ZINC000243902138 416330559 /nfs/dbraw/zinc/33/05/59/416330559.db2.gz BGSICBRLJKINRX-TXEJJXNPSA-N 1 0 316.413 0.484 50 0 DCAARO CNc1nc(C)cc(Sc2nnc(C3CC[NH2+]CC3)n2C)n1 ZINC000426397635 416767613 /nfs/dbraw/zinc/76/76/13/416767613.db2.gz UARZRGMHPNKKDF-UHFFFAOYSA-N 1 0 319.438 1.573 50 0 DCAARO Cc1ccc(C(=O)N(C)Cc2cnc(N)nc2)cc1OCC[NH3+] ZINC000426506584 416770068 /nfs/dbraw/zinc/77/00/68/416770068.db2.gz IOWMTQIRFQFBJN-UHFFFAOYSA-N 1 0 315.377 0.977 50 0 DCAARO C[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1cccc(-n2ccnc2)c1 ZINC000299748092 229391691 /nfs/dbraw/zinc/39/16/91/229391691.db2.gz FYYLMDRMWBETLQ-CQDKDKBSSA-N 1 0 300.362 0.772 50 0 DCAARO CC1=C(C(=O)N(C)CC[N@H+](C)C2CC2)[C@@H](C)n2nnnc2N1C ZINC000408522051 276173981 /nfs/dbraw/zinc/17/39/81/276173981.db2.gz CIRLAWNPMXPSRE-LLVKDONJSA-N 1 0 319.413 0.511 50 0 DCAARO C[NH2+]CCNC[C@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067821416 277272366 /nfs/dbraw/zinc/27/23/66/277272366.db2.gz WRLJBUWFAOJETE-QGZVFWFLSA-N 1 0 305.422 0.392 50 0 DCAARO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000036297180 277503562 /nfs/dbraw/zinc/50/35/62/277503562.db2.gz AMEGJJIHTXRNTK-JTQLQIEISA-N 1 0 318.420 0.202 50 0 DCAARO C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC2(CC1)OCCO2 ZINC000105719188 278198528 /nfs/dbraw/zinc/19/85/28/278198528.db2.gz JITGPBPQYONKQN-MJBXVCDLSA-N 1 0 312.410 0.850 50 0 DCAARO C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@H]1C[NH3+] ZINC000328596379 278476411 /nfs/dbraw/zinc/47/64/11/278476411.db2.gz LNZZAFNAHRBZJS-MXWKQRLJSA-N 1 0 321.343 0.983 50 0 DCAARO C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)C[C@H](C)[NH2+]1 ZINC000299738922 278674181 /nfs/dbraw/zinc/67/41/81/278674181.db2.gz IOQNARWKYQEWQI-GUTXKFCHSA-N 1 0 324.446 0.851 50 0 DCAARO Cc1cnc(N2C[C@]3(C)C[N@H+](C)C[C@](C)(C2)C3O)nc1N(C)C ZINC000065398592 279016997 /nfs/dbraw/zinc/01/69/97/279016997.db2.gz DIBPQEFVJDEYMN-ZXFUBFMLSA-N 1 0 319.453 0.990 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000044869192 279334184 /nfs/dbraw/zinc/33/41/84/279334184.db2.gz UTEBLFAJAZHTCT-STQMWFEESA-N 1 0 317.455 0.401 50 0 DCAARO CN1CC[C@@]2(CN(C(=O)N3CCOCC3)CC[N@@H+]2C)CCC1=O ZINC000095358949 290013868 /nfs/dbraw/zinc/01/38/68/290013868.db2.gz ZEMSGXPLSPLNGT-MRXNPFEDSA-N 1 0 324.425 0.067 50 0 DCAARO [NH3+]C[C@@H]1CCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 ZINC000299740266 295258109 /nfs/dbraw/zinc/25/81/09/295258109.db2.gz XSWKMTAAOPHRNC-HNNXBMFYSA-N 1 0 303.406 0.940 50 0 DCAARO COCC[N@@H+]1CC[C@H](C(=O)NCC2(Cn3cccn3)CC2)C1 ZINC000534582570 334289933 /nfs/dbraw/zinc/28/99/33/334289933.db2.gz UHJVEPZDMLFREH-AWEZNQCLSA-N 1 0 306.410 0.748 50 0 DCAARO [NH3+][C@H]1CCCN(S(=O)(=O)CCOc2ccc(F)cc2)C1 ZINC000534591489 334294375 /nfs/dbraw/zinc/29/43/75/334294375.db2.gz SFVVCTTXXXPSLM-LBPRGKRZSA-N 1 0 302.371 0.957 50 0 DCAARO O=S(=O)(CCOc1ccccc1F)NC[C@H]1C[NH2+]CCO1 ZINC000534671143 334320592 /nfs/dbraw/zinc/32/05/92/334320592.db2.gz WULSHFVRALTNTF-LLVKDONJSA-N 1 0 318.370 0.112 50 0 DCAARO Cc1ccc(S(=O)(=O)NC[C@]2(O)CCC[NH2+]C2)cc1F ZINC000534673763 334321448 /nfs/dbraw/zinc/32/14/48/334321448.db2.gz CRZSMGSDYUBAJX-ZDUSSCGKSA-N 1 0 302.371 0.527 50 0 DCAARO COc1cccc(S(=O)(=O)NC[C@@]2(O)CCC[NH2+]C2)c1 ZINC000534674653 334322128 /nfs/dbraw/zinc/32/21/28/334322128.db2.gz WGRIWCAPRGKVHX-CYBMUJFWSA-N 1 0 300.380 0.088 50 0 DCAARO O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CCC[N@@H+](CCO)C1 ZINC000534662168 334322292 /nfs/dbraw/zinc/32/22/92/334322292.db2.gz KOKRMJNYZJILGU-QMMMGPOBSA-N 1 0 321.303 0.144 50 0 DCAARO CC[N@@H+]1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)[C@@H](OC)C1 ZINC000534662754 334322693 /nfs/dbraw/zinc/32/26/93/334322693.db2.gz BMGVJLTZEHJQOH-GJZGRUSLSA-N 1 0 302.378 0.941 50 0 DCAARO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000190908604 337397170 /nfs/dbraw/zinc/39/71/70/337397170.db2.gz LKVNSWIGINNQBN-UONOGXRCSA-N 1 0 318.487 0.331 50 0 DCAARO Cc1oc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1S(N)(=O)=O ZINC000154262818 534537153 /nfs/dbraw/zinc/53/71/53/534537153.db2.gz VVQQDXRTTKMWLZ-OCAPTIKFSA-N 1 0 301.368 0.058 50 0 DCAARO [NH3+]C[C@@H]1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000299739287 534685708 /nfs/dbraw/zinc/68/57/08/534685708.db2.gz MWNVMWGCALTVPQ-VIFPVBQESA-N 1 0 303.284 0.674 50 0 DCAARO COc1ccccc1CN1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000237166955 524452560 /nfs/dbraw/zinc/45/25/60/524452560.db2.gz HBZGFROCEDUIGS-AWEZNQCLSA-N 1 0 303.406 0.949 50 0 DCAARO CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276591292 528685234 /nfs/dbraw/zinc/68/52/34/528685234.db2.gz DRGBXXOMRLFTKY-JHJVBQTASA-N 1 0 306.362 0.398 50 0 DCAARO O=C(CCCn1cncn1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000084618651 545702857 /nfs/dbraw/zinc/70/28/57/545702857.db2.gz AXVGLTPNHJIJKU-KGLIPLIRSA-N 1 0 307.398 0.116 50 0 DCAARO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NCc1noc(C2CC2)n1 ZINC000670442955 547092005 /nfs/dbraw/zinc/09/20/05/547092005.db2.gz MOPNHDWHJVQYNP-LBPRGKRZSA-N 1 0 302.334 0.839 50 0 DCAARO CCCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000670446028 547094719 /nfs/dbraw/zinc/09/47/19/547094719.db2.gz PJVDUUOQJZSQHV-LLVKDONJSA-N 1 0 311.411 0.537 50 0 DCAARO CN(C)C(=O)[C@H]1CN(C(=O)C2([NH+]3CCCC3)CCCC2)CCO1 ZINC000670452450 547096692 /nfs/dbraw/zinc/09/66/92/547096692.db2.gz CYSXMTZDSJRGGX-CQSZACIVSA-N 1 0 323.437 0.711 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCCn3ccnn3)C2)CC1 ZINC000299779905 659643763 /nfs/dbraw/zinc/64/37/63/659643763.db2.gz OHLPXYHZSFDCRY-AWEZNQCLSA-N 1 0 320.441 0.201 50 0 DCAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)N1CCn2cncc2C1 ZINC000426661181 661688623 /nfs/dbraw/zinc/68/86/23/661688623.db2.gz GDVWYHCPIIAHRW-CYBMUJFWSA-N 1 0 314.393 0.589 50 0 DCAARO CC[C@@H](CO)Nc1cc(N2CC[N@H+](CCO)C(C)(C)C2)ncn1 ZINC000871101356 664725209 /nfs/dbraw/zinc/72/52/09/664725209.db2.gz NIOVOUCHGGOVJR-ZDUSSCGKSA-N 1 0 323.441 0.552 50 0 DCAARO CCOC(=O)N1CCC([NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC000035652236 667444762 /nfs/dbraw/zinc/44/47/62/667444762.db2.gz QTVSAEQAECESFS-UHFFFAOYSA-N 1 0 304.412 0.774 50 0 DCAARO COc1cc(OC)nc(N2CCC[C@@](CO)(C[NH+](C)C)C2)n1 ZINC001772711556 1157849410 /nfs/dbraw/zinc/84/94/10/1157849410.db2.gz ZEUJDRXJEKEITQ-OAHLLOKOSA-N 1 0 310.398 0.634 50 0 DCAARO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc2c(c1)ncn2C ZINC000159810832 669942168 /nfs/dbraw/zinc/94/21/68/669942168.db2.gz KYVAOCZBMWOWBR-LBPRGKRZSA-N 1 0 316.409 0.334 50 0 DCAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc2c(c1)ncn2C ZINC000159810945 669942349 /nfs/dbraw/zinc/94/23/49/669942349.db2.gz KYVAOCZBMWOWBR-GFCCVEGCSA-N 1 0 316.409 0.334 50 0 DCAARO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc3n[nH]cc3c2)CC1=O ZINC000081245290 670424924 /nfs/dbraw/zinc/42/49/24/670424924.db2.gz FIGNIJVTRKKNDH-GFCCVEGCSA-N 1 0 315.377 0.912 50 0 DCAARO COc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc(-n2cnnn2)c1 ZINC000952967594 685598959 /nfs/dbraw/zinc/59/89/59/685598959.db2.gz IDGNXQDJQOPRDN-ZDUSSCGKSA-N 1 0 302.338 0.704 50 0 DCAARO Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952969800 685599259 /nfs/dbraw/zinc/59/92/59/685599259.db2.gz QGSXNAQAQDGJBC-GXFFZTMASA-N 1 0 321.425 0.411 50 0 DCAARO C[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cc(F)ccc3F)CN2C1=O ZINC000014745406 685049276 /nfs/dbraw/zinc/04/92/76/685049276.db2.gz OCFVWOGYKICOQB-QWRKXWFKSA-N 1 0 309.316 0.542 50 0 DCAARO CCN(CC)c1nc(N)cc(N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)n1 ZINC000065407371 685064565 /nfs/dbraw/zinc/06/45/65/685064565.db2.gz JLIFCKYJJDKVLH-STQMWFEESA-N 1 0 320.441 0.550 50 0 DCAARO COc1ccc(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)cc1O ZINC001704303830 1179966757 /nfs/dbraw/zinc/96/67/57/1179966757.db2.gz JLZFOIGXCONITE-AAEUAGOBSA-N 1 0 306.362 0.803 50 0 DCAARO CCn1ccc(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)cc1=O ZINC001704312830 1179969905 /nfs/dbraw/zinc/96/99/05/1179969905.db2.gz ZZCNEZCGCNQXSO-JSGCOSHPSA-N 1 0 305.378 0.271 50 0 DCAARO Cc1cc(C)n(CCC(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)n1 ZINC001704324670 1179971915 /nfs/dbraw/zinc/97/19/15/1179971915.db2.gz CVWOYYJGTIKUOD-GJZGRUSLSA-N 1 0 306.410 0.679 50 0 DCAARO Cc1cc(C[C@@H]2C[N@H+](Cc3cnn4cccnc34)C[C@@H]2O)[nH]n1 ZINC001704354165 1179982941 /nfs/dbraw/zinc/98/29/41/1179982941.db2.gz UWKMLCYCDQSFGO-DOMZBBRYSA-N 1 0 312.377 0.796 50 0 DCAARO CCS(=O)(=O)NC[C@@H](C)[NH2+]CC1(CN2CCOCC2)CC1 ZINC000823412713 758246615 /nfs/dbraw/zinc/24/66/15/758246615.db2.gz LKJXYYHKMRFVKJ-CYBMUJFWSA-N 1 0 319.471 0.016 50 0 DCAARO C[N@@H+]1CC[C@H](NS(=O)(=O)CCOc2ccc(F)cc2)C1 ZINC000823755233 758265141 /nfs/dbraw/zinc/26/51/41/758265141.db2.gz NAKKKFUSYJSALC-LBPRGKRZSA-N 1 0 302.371 0.828 50 0 DCAARO Cc1ccc(F)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H](O)C1 ZINC000823730209 758267947 /nfs/dbraw/zinc/26/79/47/758267947.db2.gz XPEKGUNTXSHFDX-STQMWFEESA-N 1 0 316.398 0.820 50 0 DCAARO C[N@@H+]1CCCC[C@H]1CNC(=O)CCC(=O)Nc1nncs1 ZINC000827814667 758886027 /nfs/dbraw/zinc/88/60/27/758886027.db2.gz WOFLLNKWEVPLCL-JTQLQIEISA-N 1 0 311.411 0.857 50 0 DCAARO O=C(NCC1CC[NH+](Cc2ccoc2)CC1)[C@@H]1CCC(=O)N1 ZINC000828256448 758965330 /nfs/dbraw/zinc/96/53/30/758965330.db2.gz HQZFCWOPTCFXBG-AWEZNQCLSA-N 1 0 305.378 0.886 50 0 DCAARO O=S(=O)(CC1CCCC1)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000828711182 759073817 /nfs/dbraw/zinc/07/38/17/759073817.db2.gz NRFCWRNKHYESTE-AWEZNQCLSA-N 1 0 304.456 0.800 50 0 DCAARO COCc1ncc(CN(C)C[C@@H]2CCC[N@H+](CCO)C2)cn1 ZINC000952860997 768921677 /nfs/dbraw/zinc/92/16/77/768921677.db2.gz WAHPUOUOMVBHPG-AWEZNQCLSA-N 1 0 308.426 0.759 50 0 DCAARO C[C@@H](C(=O)Nc1nnc(CC[NH+](C)C)s1)N1CCCC1=O ZINC001529168071 1014512039 /nfs/dbraw/zinc/51/20/39/1014512039.db2.gz WQWYVHBUOGNZGM-VIFPVBQESA-N 1 0 311.411 0.592 50 0 DCAARO CO[C@H](C)c1nnc(NC(=O)CN2CCC[N@H+](C)CC2)s1 ZINC001506405619 1017255968 /nfs/dbraw/zinc/25/59/68/1017255968.db2.gz KNKOROCIMHVPIJ-SNVBAGLBSA-N 1 0 313.427 0.822 50 0 DCAARO CC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC[N@@H+]1C(C)C ZINC001506411816 1017261311 /nfs/dbraw/zinc/26/13/11/1017261311.db2.gz URWFSYUDYRQNJM-GFCCVEGCSA-N 1 0 305.444 0.386 50 0 DCAARO Cc1cccc(NC(=O)CC(=O)NC[C@@]2(O)CC[NH2+]C2)c1C ZINC001506422878 1017265567 /nfs/dbraw/zinc/26/55/67/1017265567.db2.gz ASBFASQDYJPONL-MRXNPFEDSA-N 1 0 305.378 0.473 50 0 DCAARO Cc1cc(C)nc(N2CCC[C@H](C(=O)NCC[NH+](C)C)C2)n1 ZINC000095473697 185372864 /nfs/dbraw/zinc/37/28/64/185372864.db2.gz VENRUZWPJVCZRT-AWEZNQCLSA-N 1 0 305.426 0.988 50 0 DCAARO CC[NH+]1CCC(CC(=O)NCc2nc(C(=O)NC)no2)CC1 ZINC000095526854 185378039 /nfs/dbraw/zinc/37/80/39/185378039.db2.gz RZHNFHVHCAWKBJ-UHFFFAOYSA-N 1 0 309.370 0.167 50 0 DCAARO NC(=O)CC[N@@H+]1CCn2nc(CCC(=O)N3CCCC3)cc2C1 ZINC000082098284 192355773 /nfs/dbraw/zinc/35/57/73/192355773.db2.gz FZAUIQRNVIOBPG-UHFFFAOYSA-N 1 0 319.409 0.129 50 0 DCAARO C[NH+](C)[C@H](CNC(=O)CN1CCNC(=O)CC1)c1ccccc1 ZINC000097096439 282238118 /nfs/dbraw/zinc/23/81/18/282238118.db2.gz CROZJIIGWVBSMK-OAHLLOKOSA-N 1 0 318.421 0.227 50 0 DCAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCCc2nc(N)cc(=O)[nH]2)C1 ZINC000095391869 185351930 /nfs/dbraw/zinc/35/19/30/185351930.db2.gz AWPQBUWBRLWJOW-NSHDSACASA-N 1 0 307.398 0.133 50 0 DCAARO C[C@H](C(=O)NCC(F)(F)F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000095430717 185363154 /nfs/dbraw/zinc/36/31/54/185363154.db2.gz CCYVEKVJHLBPKP-VXGBXAGGSA-N 1 0 323.359 0.708 50 0 DCAARO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000095466602 185371936 /nfs/dbraw/zinc/37/19/36/185371936.db2.gz SJYWIQZFNKQCOK-QMMMGPOBSA-N 1 0 313.320 0.761 50 0 DCAARO C[NH2+]CC1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000097019639 185398072 /nfs/dbraw/zinc/39/80/72/185398072.db2.gz ATNOYSZTKDXZAE-UHFFFAOYSA-N 1 0 315.373 0.984 50 0 DCAARO Nc1nc(-n2cccn2)cc(N2CCC[C@H]2C(=O)NC2CC2)[nH+]1 ZINC000097104415 185410137 /nfs/dbraw/zinc/41/01/37/185410137.db2.gz IXRGWLAVEBDHOW-NSHDSACASA-N 1 0 313.365 0.492 50 0 DCAARO O[C@@H](C[NH2+]CCn1cccn1)COc1ccc2c(c1)OCO2 ZINC000070021253 190851127 /nfs/dbraw/zinc/85/11/27/190851127.db2.gz WEWBKRHBSHJJNW-LBPRGKRZSA-N 1 0 305.334 0.641 50 0 DCAARO O=C(NC[C@]1(O)CCC[NH2+]CC1)c1cc2ccccc2[nH]c1=O ZINC000072126347 191042075 /nfs/dbraw/zinc/04/20/75/191042075.db2.gz ZVUZAQDRWAUJBJ-KRWDZBQOSA-N 1 0 315.373 0.763 50 0 DCAARO O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H]1C[NH2+]CCO1 ZINC000072128213 191042792 /nfs/dbraw/zinc/04/27/92/191042792.db2.gz SVUUWXTUPPBKKF-ZDUSSCGKSA-N 1 0 316.361 0.308 50 0 DCAARO O=C(NC[C@@]1(O)CCC[NH2+]CC1)c1ccc(-n2cnnc2)cc1 ZINC000072168409 191067040 /nfs/dbraw/zinc/06/70/40/191067040.db2.gz BJTQCDGCYAALKV-MRXNPFEDSA-N 1 0 315.377 0.502 50 0 DCAARO Cn1cc(NC(=O)CN2CCC[C@](O)(C[NH+](C)C)CC2)cn1 ZINC000072169641 191067726 /nfs/dbraw/zinc/06/77/26/191067726.db2.gz FQVPGTYDRWEDBD-OAHLLOKOSA-N 1 0 309.414 0.137 50 0 DCAARO Cc1cc2c(cc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1)OCCO2 ZINC000072172856 191068971 /nfs/dbraw/zinc/06/89/71/191068971.db2.gz BSTLDDYIDVJWMW-KRWDZBQOSA-N 1 0 320.389 0.905 50 0 DCAARO CCc1c(C)cc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c(=O)n1C ZINC000072174498 191070540 /nfs/dbraw/zinc/07/05/40/191070540.db2.gz CAFWRTBSEZBFSK-KRWDZBQOSA-N 1 0 321.421 0.395 50 0 DCAARO CC(=O)N1CCC[C@@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000072246883 191087577 /nfs/dbraw/zinc/08/75/77/191087577.db2.gz WUGCBBRPVPRTGS-CYBMUJFWSA-N 1 0 307.398 0.642 50 0 DCAARO CN1CCO[C@H](C[NH2+]C[C@H](O)COCc2cccs2)C1 ZINC000072254048 191088674 /nfs/dbraw/zinc/08/86/74/191088674.db2.gz QUTUCJYCYRROIV-QWHCGFSZSA-N 1 0 300.424 0.546 50 0 DCAARO Nc1nc2c(c(NC3CC3)n1)CCN(C(=O)[C@H]1C=CC[NH2+]1)CC2 ZINC000072423171 191158816 /nfs/dbraw/zinc/15/88/16/191158816.db2.gz NMEUMXAKYAFTSP-CYBMUJFWSA-N 1 0 314.393 0.088 50 0 DCAARO Cc1nnc(CC(=O)NCc2c(C)ncc3c2CC[NH2+]C3)[nH]1 ZINC000072447600 191168859 /nfs/dbraw/zinc/16/88/59/191168859.db2.gz GNTYULZQDORNJM-UHFFFAOYSA-N 1 0 300.366 0.321 50 0 DCAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1C(=O)OC ZINC000002313258 180918923 /nfs/dbraw/zinc/91/89/23/180918923.db2.gz MDIBHHZQWFKENC-UHFFFAOYSA-N 1 0 321.377 0.870 50 0 DCAARO COc1ccc(C(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)o1 ZINC000077287830 191687234 /nfs/dbraw/zinc/68/72/34/191687234.db2.gz RWMZVBPUDTUHFE-INIZCTEOSA-N 1 0 324.377 0.588 50 0 DCAARO C[C@H]1CN(C(=O)c2cccc(CN3CCOCC3)c2)CC[NH2+]1 ZINC000237572160 202288404 /nfs/dbraw/zinc/28/84/04/202288404.db2.gz BVHTVHIQDSMCKE-AWEZNQCLSA-N 1 0 303.406 0.953 50 0 DCAARO C[C@H]1CCCN(C(=O)Cn2c3ccccc3[nH]c2=O)[C@H]1C[NH3+] ZINC000237628759 202311168 /nfs/dbraw/zinc/31/11/68/202311168.db2.gz YGMFSMANZWKMON-FZMZJTMJSA-N 1 0 302.378 0.915 50 0 DCAARO Cn1cncc1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000237926960 202393358 /nfs/dbraw/zinc/39/33/58/202393358.db2.gz KALZTIHOJDDDCR-UHFFFAOYSA-N 1 0 315.425 0.512 50 0 DCAARO O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277595317 238331544 /nfs/dbraw/zinc/33/15/44/238331544.db2.gz PKOSWJOARAAUOV-LSDHHAIUSA-N 1 0 300.362 0.270 50 0 DCAARO COC(=O)c1c(NC(=O)C(=O)NCC[NH3+])sc2c1CCC2 ZINC000006764424 181385203 /nfs/dbraw/zinc/38/52/03/181385203.db2.gz LSRISBMQXAEJCD-UHFFFAOYSA-N 1 0 311.363 0.037 50 0 DCAARO C[C@@H](NC(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccc(O)c(F)c1 ZINC000091645376 193084615 /nfs/dbraw/zinc/08/46/15/193084615.db2.gz HNZMSNGLBQWDSN-SNVBAGLBSA-N 1 0 323.368 0.906 50 0 DCAARO CCN1C[C@H](C(=O)N2CCN(c3cc[nH+]c(C)c3)CC2)CC1=O ZINC000091770328 193104428 /nfs/dbraw/zinc/10/44/28/193104428.db2.gz ZVRUDNRNLRPIGL-CQSZACIVSA-N 1 0 316.405 0.907 50 0 DCAARO CCn1c(Cn2cncn2)nnc1C1CCN(CC[NH3+])CC1 ZINC000092037767 193144544 /nfs/dbraw/zinc/14/45/44/193144544.db2.gz JCYKYAIIVSGWKV-UHFFFAOYSA-N 1 0 304.402 0.076 50 0 DCAARO COCCc1nc(CN2CC3(CC[NH2+]CC3)CCC2=O)no1 ZINC000092037750 193144634 /nfs/dbraw/zinc/14/46/34/193144634.db2.gz UJZCHVRTCCPAJM-UHFFFAOYSA-N 1 0 308.382 0.751 50 0 DCAARO Cc1ccc([C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@@H]2[NH3+])o1 ZINC000092066924 193152456 /nfs/dbraw/zinc/15/24/56/193152456.db2.gz YDHMFOCLOCSWKB-QWRGUYRKSA-N 1 0 310.379 0.437 50 0 DCAARO O=C(c1nccs1)c1cccnc1N1CC[NH2+]C[C@H](O)C1 ZINC000097532367 193731059 /nfs/dbraw/zinc/73/10/59/193731059.db2.gz ZCXBUEFHJULIKA-JTQLQIEISA-N 1 0 304.375 0.540 50 0 DCAARO Cc1cc2oc(=O)cc(CN3CC[NH+](CCO)CC3)c2cc1O ZINC000020412522 182215097 /nfs/dbraw/zinc/21/50/97/182215097.db2.gz TXVDCUNEUJXKNW-UHFFFAOYSA-N 1 0 318.373 0.917 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020434243 182217432 /nfs/dbraw/zinc/21/74/32/182217432.db2.gz JUFWSTBDMAHEJE-KGLIPLIRSA-N 1 0 309.797 0.711 50 0 DCAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(c2ccccc2Cl)CC1 ZINC000020434641 182217438 /nfs/dbraw/zinc/21/74/38/182217438.db2.gz NOJBWDBMIGUMBD-AAEUAGOBSA-N 1 0 309.797 0.711 50 0 DCAARO C[C@H](CNC(=O)Cn1ncc2ccccc2c1=O)[NH+]1CCCC1 ZINC000042507436 183277738 /nfs/dbraw/zinc/27/77/38/183277738.db2.gz NCZKYIAITKXVGH-CYBMUJFWSA-N 1 0 314.389 0.997 50 0 DCAARO O=c1c2c3c(sc2ncn1CCCn1cncn1)C[NH2+]CC3 ZINC000065381928 184331977 /nfs/dbraw/zinc/33/19/77/184331977.db2.gz UUJDAMVCDUYOSH-UHFFFAOYSA-N 1 0 316.390 0.786 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@H+]2[C@@H](C)C(=O)N2CCOCC2)n1 ZINC000069538551 184524614 /nfs/dbraw/zinc/52/46/14/184524614.db2.gz OUVLJWSZIUBQBU-SWLSCSKDSA-N 1 0 321.425 0.607 50 0 DCAARO C[NH+](C)CCOc1cccc(CN2CCN(C(N)=O)CC2)c1 ZINC000216497288 257273655 /nfs/dbraw/zinc/27/36/55/257273655.db2.gz KESFJUGCCSWQDP-UHFFFAOYSA-N 1 0 306.410 0.823 50 0 DCAARO Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])nc1Cl ZINC000237805058 257237706 /nfs/dbraw/zinc/23/77/06/257237706.db2.gz IQMDOPBUICHKAN-IUCAKERBSA-N 1 0 306.819 0.869 50 0 DCAARO C[NH2+]Cc1nnc(SCc2nncn2C)n1C[C@H]1CCCO1 ZINC000426545244 257246613 /nfs/dbraw/zinc/24/66/13/257246613.db2.gz XUTHKNAZXNQVQB-SNVBAGLBSA-N 1 0 323.426 0.597 50 0 DCAARO CC(C)c1cnc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)nc1 ZINC000426550073 257247201 /nfs/dbraw/zinc/24/72/01/257247201.db2.gz RECZRRXAHCJWFM-ZIAGYGMSSA-N 1 0 321.425 0.535 50 0 DCAARO COC(=O)c1noc(C)c1CSc1nnc(CC[NH3+])n1C ZINC000426497285 257248826 /nfs/dbraw/zinc/24/88/26/257248826.db2.gz PYIBRQUTAMJDAB-UHFFFAOYSA-N 1 0 311.367 0.692 50 0 DCAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000008429095 395684667 /nfs/dbraw/zinc/68/46/67/395684667.db2.gz TYLGDHGSPGYSOM-GOEBONIOSA-N 1 0 321.421 0.686 50 0 DCAARO C[NH+](C)CCNC(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O ZINC000013720953 395688893 /nfs/dbraw/zinc/68/88/93/395688893.db2.gz UPZQVTSYPCLLIT-FLIBITNWSA-N 1 0 323.374 0.994 50 0 DCAARO CC[NH+]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000022029709 395691681 /nfs/dbraw/zinc/69/16/81/395691681.db2.gz OICBLPXOBNXFKG-UHFFFAOYSA-N 1 0 302.378 0.609 50 0 DCAARO CCS(=O)(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000000220606 395680068 /nfs/dbraw/zinc/68/00/68/395680068.db2.gz BWOSNNIRNSPRSG-ZDUSSCGKSA-N 1 0 317.455 0.260 50 0 DCAARO COc1ccc(C[NH2+]CCNC(=O)c2nonc2N)cc1OC ZINC000002862398 395681876 /nfs/dbraw/zinc/68/18/76/395681876.db2.gz BVOOHWOKIWFYGJ-UHFFFAOYSA-N 1 0 321.337 0.189 50 0 DCAARO C[N@H+](CCn1cccn1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085796230 395701899 /nfs/dbraw/zinc/70/18/99/395701899.db2.gz JBVFVXPGHIMDQF-CYBMUJFWSA-N 1 0 300.428 0.487 50 0 DCAARO CCc1cc(N2CCC[C@H](C(N)=O)C2)nc(N2CCOCC2)[nH+]1 ZINC000032581976 395711521 /nfs/dbraw/zinc/71/15/21/395711521.db2.gz GCSQTTHQXTZISD-LBPRGKRZSA-N 1 0 319.409 0.577 50 0 DCAARO C[NH+](C)CCNC(=O)c1nc[nH]c1C(=O)NCc1ccccc1 ZINC000033003790 395715643 /nfs/dbraw/zinc/71/56/43/395715643.db2.gz MOOPDOONIXUZGB-UHFFFAOYSA-N 1 0 315.377 0.631 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(c2ccccc2)CC1 ZINC000039514921 395732393 /nfs/dbraw/zinc/73/23/93/395732393.db2.gz RJWAPSCNBQCANX-MRXNPFEDSA-N 1 0 303.406 0.792 50 0 DCAARO Cn1cnc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1Cl ZINC000037990619 395730610 /nfs/dbraw/zinc/73/06/10/395730610.db2.gz BLQLLSFHFUGJSY-VHSXEESVSA-N 1 0 318.830 0.979 50 0 DCAARO CCc1nnc2n1C[C@H]([NH2+]Cc1c(C)nn(CCO)c1C)CC2 ZINC000097199524 395755534 /nfs/dbraw/zinc/75/55/34/395755534.db2.gz PQPUCQNUNMWHBB-CYBMUJFWSA-N 1 0 318.425 0.751 50 0 DCAARO COC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200580 395755654 /nfs/dbraw/zinc/75/56/54/395755654.db2.gz RZNHTQQTKYPCTJ-ZIAGYGMSSA-N 1 0 306.410 0.967 50 0 DCAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)c2cn[nH]n2)CC1 ZINC000097243928 395756566 /nfs/dbraw/zinc/75/65/66/395756566.db2.gz QXGMPAOIUHXGSI-UHFFFAOYSA-N 1 0 300.366 0.936 50 0 DCAARO Cc1nc(N(C)C)ncc1C(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000097437026 395757651 /nfs/dbraw/zinc/75/76/51/395757651.db2.gz KHULDBYYCBDPKD-CYBMUJFWSA-N 1 0 321.425 0.285 50 0 DCAARO COCc1cccc(C(=O)N2CC[N@@H+](C(C)C)C[C@@H](O)C2)n1 ZINC000097514390 395758775 /nfs/dbraw/zinc/75/87/75/395758775.db2.gz ILKYFIXGSPZQIX-CQSZACIVSA-N 1 0 307.394 0.755 50 0 DCAARO CCOc1ccc(N2C(=O)C[C@@H](SC(=[NH2+])NN)C2=O)cc1 ZINC000101160516 395764192 /nfs/dbraw/zinc/76/41/92/395764192.db2.gz DNIIRMCLJZEQNU-SNVBAGLBSA-N 1 0 308.363 0.848 50 0 DCAARO Cn1c2ccccc2n(CCC(=O)N2CCC[C@H]([NH3+])C2)c1=O ZINC000195116190 395816685 /nfs/dbraw/zinc/81/66/85/395816685.db2.gz YVELJUGHERHRGO-LBPRGKRZSA-N 1 0 302.378 0.680 50 0 DCAARO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCn1cccn1 ZINC000195571542 395832260 /nfs/dbraw/zinc/83/22/60/395832260.db2.gz VTRZUAGQGCJQHS-CYBMUJFWSA-N 1 0 309.414 0.370 50 0 DCAARO O=C1CCCN1C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1C1CCCCC1 ZINC000225431936 395860213 /nfs/dbraw/zinc/86/02/13/395860213.db2.gz UDGQOHDUCLNXRM-OWCLPIDISA-N 1 0 310.438 0.985 50 0 DCAARO CC(=O)N[C@H]1C[C@H](c2nnc(CN(C)CC3(C)COC3)n2C)C1 ZINC000244873482 395925969 /nfs/dbraw/zinc/92/59/69/395925969.db2.gz WRDUNTIADRJWIK-JOCQHMNTSA-N 1 0 321.425 0.666 50 0 DCAARO CCOCCN1CC[NH+](C[C@H](O)CO[C@@H](C)COC)CC1 ZINC000225570416 395862165 /nfs/dbraw/zinc/86/21/65/395862165.db2.gz HXBZZXARERGFBX-GJZGRUSLSA-N 1 0 304.431 0.053 50 0 DCAARO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000067643739 396029952 /nfs/dbraw/zinc/02/99/52/396029952.db2.gz RGDCSKACTTYABN-OAHLLOKOSA-N 1 0 311.451 0.742 50 0 DCAARO CCc1nc(C)c(C(=O)N[C@H](C)c2nnc3n2CC[NH2+]CC3)o1 ZINC000067847610 396036079 /nfs/dbraw/zinc/03/60/79/396036079.db2.gz NXMROPWEOPGLAA-SNVBAGLBSA-N 1 0 318.381 0.774 50 0 DCAARO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000067863802 396037056 /nfs/dbraw/zinc/03/70/56/396037056.db2.gz XVIQIBLDEVOMRI-ZBEGNZNMSA-N 1 0 320.393 0.060 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(NC(C)=O)c1 ZINC000067973816 396041793 /nfs/dbraw/zinc/04/17/93/396041793.db2.gz CVHUUSWYULKZPM-JSGCOSHPSA-N 1 0 318.377 0.323 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3nccn3C)C[C@H]2C)CC1 ZINC000257365988 396047071 /nfs/dbraw/zinc/04/70/71/396047071.db2.gz FGNAURCBEZQFSG-GDBMZVCRSA-N 1 0 319.453 0.795 50 0 DCAARO CCN1CCO[C@H](C[NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000069706120 396087937 /nfs/dbraw/zinc/08/79/37/396087937.db2.gz QYQIKTMZMVCDBE-GOEBONIOSA-N 1 0 312.385 0.876 50 0 DCAARO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000069743484 396089431 /nfs/dbraw/zinc/08/94/31/396089431.db2.gz VHHTXDLDYANZRD-CJNGLKHVSA-N 1 0 323.412 0.793 50 0 DCAARO CC[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)CCO1 ZINC000069841456 396092212 /nfs/dbraw/zinc/09/22/12/396092212.db2.gz ZUHQHHIITZRSGN-GJZGRUSLSA-N 1 0 321.425 0.628 50 0 DCAARO CCn1cc(C(=O)N2C[C@H](COC)C3(C2)CC[NH2+]CC3)cn1 ZINC000169783950 396092623 /nfs/dbraw/zinc/09/26/23/396092623.db2.gz QYNVBGDGMBXYKH-CQSZACIVSA-N 1 0 306.410 0.991 50 0 DCAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)NCCc1cccs1 ZINC000069902296 396094480 /nfs/dbraw/zinc/09/44/80/396094480.db2.gz GEMUNJPIIFKCJX-LLVKDONJSA-N 1 0 305.407 0.603 50 0 DCAARO CN(Cc1cccs1)C(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000070018160 396098125 /nfs/dbraw/zinc/09/81/25/396098125.db2.gz ULZILCOLACZBRK-ZDUSSCGKSA-N 1 0 311.451 0.969 50 0 DCAARO Cc1cc(C(=O)NCCC[NH+](C)C)nc(N2CCOCC2)n1 ZINC000071195505 396111149 /nfs/dbraw/zinc/11/11/49/396111149.db2.gz WRJQFURHVKHGRL-UHFFFAOYSA-N 1 0 307.398 0.303 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1c(C)nc2sccn21 ZINC000071278679 396111558 /nfs/dbraw/zinc/11/15/58/396111558.db2.gz LVQPSORLCLQXDV-UWVGGRQHSA-N 1 0 321.406 0.382 50 0 DCAARO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CC(N)=O ZINC000071822576 396116756 /nfs/dbraw/zinc/11/67/56/396116756.db2.gz VYNQDDWHCUUPPU-ZFWWWQNUSA-N 1 0 318.421 0.183 50 0 DCAARO CC1CC[NH+](C[C@@H](O)Cn2nnc3ccccc3c2=O)CC1 ZINC000071825033 396117164 /nfs/dbraw/zinc/11/71/64/396117164.db2.gz ZIVQMNUMCFGFSB-CYBMUJFWSA-N 1 0 302.378 0.884 50 0 DCAARO CC[C@H]1CN(Cc2nnc(C3CC3)n2C)CC[N@@H+]1C[C@@H](C)O ZINC000071864702 396119730 /nfs/dbraw/zinc/11/97/30/396119730.db2.gz MQHLPVFJGXJCBB-OCCSQVGLSA-N 1 0 307.442 0.970 50 0 DCAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N1CCc2sccc2C1 ZINC000071871735 396120846 /nfs/dbraw/zinc/12/08/46/396120846.db2.gz XDNCIODDJLWUQL-GFCCVEGCSA-N 1 0 317.418 0.829 50 0 DCAARO O=S(=O)(CC[NH2+]C[C@H]1CNc2ccnn2C1)c1ccccc1 ZINC000071888657 396123742 /nfs/dbraw/zinc/12/37/42/396123742.db2.gz TTXZXMNPSIQQPR-ZDUSSCGKSA-N 1 0 320.418 0.988 50 0 DCAARO Cc1cc(C)n(CCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000072269511 396129164 /nfs/dbraw/zinc/12/91/64/396129164.db2.gz GLZSMOJQNJHFJO-JKSUJKDBSA-N 1 0 320.437 0.948 50 0 DCAARO c1cc2n(n1)C[C@@H](C[NH2+]Cc1cccnc1-n1cncn1)CN2 ZINC000069520688 396081248 /nfs/dbraw/zinc/08/12/48/396081248.db2.gz ZQYMBCQVERNSMG-LBPRGKRZSA-N 1 0 310.365 0.690 50 0 DCAARO Cn1c(=O)cc(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)n(C)c1=O ZINC000069632201 396085432 /nfs/dbraw/zinc/08/54/32/396085432.db2.gz PFUSCVCYBOAADL-CYBMUJFWSA-N 1 0 317.393 0.335 50 0 DCAARO O=C1C[C@H]([NH2+]Cc2cccnc2)CN1CCN1CCOCC1 ZINC000177353639 396172922 /nfs/dbraw/zinc/17/29/22/396172922.db2.gz YAZBEHZHIUBVRW-HNNXBMFYSA-N 1 0 304.394 0.104 50 0 DCAARO Nc1cc(=O)[nH]c(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)n1 ZINC000077320310 396218388 /nfs/dbraw/zinc/21/83/88/396218388.db2.gz IGBHYJKMJBTSJA-NSHDSACASA-N 1 0 308.382 0.212 50 0 DCAARO Cc1ccccc1[C@@H](CC(=O)N(C)[C@@H]1CC[NH2+]C1)NC(N)=O ZINC000179049086 396219897 /nfs/dbraw/zinc/21/98/97/396219897.db2.gz MXPIMZXJKMJREG-TZMCWYRMSA-N 1 0 304.394 0.915 50 0 DCAARO Cc1cc(CC(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)on1 ZINC000077406277 396221135 /nfs/dbraw/zinc/22/11/35/396221135.db2.gz BOXFMUSCAVDBOX-INIZCTEOSA-N 1 0 323.393 0.211 50 0 DCAARO COc1cccc(CCN2C(=O)NC3(CC[NH2+]CC3)C2=O)c1 ZINC000077407259 396221211 /nfs/dbraw/zinc/22/12/11/396221211.db2.gz HIJIXMTXCHLOMU-UHFFFAOYSA-N 1 0 303.362 0.912 50 0 DCAARO O=C(CC[N@H+]1CCOC[C@@H](CO)C1)N1CCc2ccccc2C1 ZINC000077470250 396223400 /nfs/dbraw/zinc/22/34/00/396223400.db2.gz IRPIDTBMVPNXNV-OAHLLOKOSA-N 1 0 318.417 0.902 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000077517229 396225136 /nfs/dbraw/zinc/22/51/36/396225136.db2.gz JPIMKDXJQCGSGV-AWEZNQCLSA-N 1 0 305.426 0.753 50 0 DCAARO CC(C)[NH+]1CCC(CNC(=O)[C@@H]2CCC(=O)NC(=O)N2)CC1 ZINC000584885217 396632367 /nfs/dbraw/zinc/63/23/67/396632367.db2.gz AYMWUBCCPUWQPG-LBPRGKRZSA-N 1 0 310.398 0.211 50 0 DCAARO CS(=O)(=O)NCCC(=O)N1CC[NH+](CC2CCCC2)CC1 ZINC000584889906 396633465 /nfs/dbraw/zinc/63/34/65/396633465.db2.gz NQXZFUICWAVYNZ-UHFFFAOYSA-N 1 0 317.455 0.260 50 0 DCAARO CNc1ncccc1C(=O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000584898923 396636623 /nfs/dbraw/zinc/63/66/23/396636623.db2.gz WIAVRSQTDLLIDL-KBPBESRZSA-N 1 0 304.394 0.795 50 0 DCAARO CC(C)[NH+]1CCN(CCn2cnc3nccnc3c2=O)CC1 ZINC000584902323 396637377 /nfs/dbraw/zinc/63/73/77/396637377.db2.gz IVBYWCKXOLKPFK-UHFFFAOYSA-N 1 0 302.382 0.213 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000134174582 158324766 /nfs/dbraw/zinc/32/47/66/158324766.db2.gz NWNFSAJMNLHONO-NXEZZACHSA-N 1 0 307.316 0.608 50 0 DCAARO CCOc1ccc(OCCNC(=O)C[N@H+](C)C[C@@H](C)O)cc1 ZINC000131273499 196156262 /nfs/dbraw/zinc/15/62/62/196156262.db2.gz SEJHFXLDEZKBGI-CYBMUJFWSA-N 1 0 310.394 0.893 50 0 DCAARO C[C@H]1C[C@H](C)C[NH+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000044937497 415235182 /nfs/dbraw/zinc/23/51/82/415235182.db2.gz CVRZDUOSQVUEBU-RYUDHWBXSA-N 1 0 300.428 0.676 50 0 DCAARO CS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000045065532 415243747 /nfs/dbraw/zinc/24/37/47/415243747.db2.gz AKKQRCUDLKAXMH-CYBMUJFWSA-N 1 0 315.439 0.153 50 0 DCAARO C[N@@H+]1CCC[C@](O)(CN2CCN(Cc3ccncc3)CC2)C1 ZINC000046087377 415256124 /nfs/dbraw/zinc/25/61/24/415256124.db2.gz SPXVTAGGCOSJKP-QGZVFWFLSA-N 1 0 304.438 0.656 50 0 DCAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000046859815 415263051 /nfs/dbraw/zinc/26/30/51/415263051.db2.gz DENVTQCCVNCDAK-OLZOCXBDSA-N 1 0 317.455 0.401 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC000044604533 415224500 /nfs/dbraw/zinc/22/45/00/415224500.db2.gz NRQGTHJUJFSLSH-AWEZNQCLSA-N 1 0 307.394 0.472 50 0 DCAARO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC000071817160 415409533 /nfs/dbraw/zinc/40/95/33/415409533.db2.gz FJBVXPVBLDQKBG-LLVKDONJSA-N 1 0 319.365 0.155 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(c2nc(C)cc(C)n2)C[C@@H]1CO ZINC000091574684 415535513 /nfs/dbraw/zinc/53/55/13/415535513.db2.gz IXGGNJBRNXFYDM-HUUCEWRRSA-N 1 0 308.426 0.716 50 0 DCAARO Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000095382222 415557171 /nfs/dbraw/zinc/55/71/71/415557171.db2.gz LBPUCMZNKUNPFW-GFCCVEGCSA-N 1 0 307.398 0.053 50 0 DCAARO CC(C)[NH+]1CCC(CC(=O)NCCc2nc(O)cc(=O)[nH]2)CC1 ZINC000095384644 415558908 /nfs/dbraw/zinc/55/89/08/415558908.db2.gz OLZPGMAGJIWFPJ-UHFFFAOYSA-N 1 0 322.409 0.645 50 0 DCAARO C[C@@H](NC(=O)N(C)C[C@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000095411297 415560031 /nfs/dbraw/zinc/56/00/31/415560031.db2.gz GNSADXZPTLDPDQ-KGLIPLIRSA-N 1 0 314.474 0.671 50 0 DCAARO CCS(=O)(=O)NCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000095939785 415561906 /nfs/dbraw/zinc/56/19/06/415561906.db2.gz KRGGDVXQISDNOX-ZDUSSCGKSA-N 1 0 317.455 0.306 50 0 DCAARO COC(=O)Cn1ncc2c1ncnc2N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000095982744 415568589 /nfs/dbraw/zinc/56/85/89/415568589.db2.gz OGAQZQPMILBQSQ-GHMZBOCLSA-N 1 0 318.381 0.528 50 0 DCAARO Cc1cnc(CN(C)[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)o1 ZINC000107354091 415666780 /nfs/dbraw/zinc/66/67/80/415666780.db2.gz VYVUGDXFJYNVGB-LSDHHAIUSA-N 1 0 319.409 0.747 50 0 DCAARO C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000155229844 415995498 /nfs/dbraw/zinc/99/54/98/415995498.db2.gz LZAQCKNHWBQLJV-SNVBAGLBSA-N 1 0 316.810 0.934 50 0 DCAARO [NH3+]CCCOc1ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000299759290 416064822 /nfs/dbraw/zinc/06/48/22/416064822.db2.gz FRKCSJDNJBCVCX-CYBMUJFWSA-N 1 0 319.361 0.691 50 0 DCAARO Nc1nnnn1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000299764439 416065551 /nfs/dbraw/zinc/06/55/51/416065551.db2.gz WIXWVHBAHIRCQF-UHFFFAOYSA-N 1 0 315.381 0.168 50 0 DCAARO c1nn2cccnc2c1C[N@@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299772614 416065631 /nfs/dbraw/zinc/06/56/31/416065631.db2.gz AFFDZPOVIDWILO-KBPBESRZSA-N 1 0 311.349 0.667 50 0 DCAARO O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299777198 416067907 /nfs/dbraw/zinc/06/79/07/416067907.db2.gz JZLHEBQKTKDKIE-OLZOCXBDSA-N 1 0 316.361 0.042 50 0 DCAARO NC(=O)c1cncc(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000301495659 416085260 /nfs/dbraw/zinc/08/52/60/416085260.db2.gz BMZOYDUWDKRHEU-UHFFFAOYSA-N 1 0 305.382 0.124 50 0 DCAARO Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CCO2)c1 ZINC000253431530 416334698 /nfs/dbraw/zinc/33/46/98/416334698.db2.gz SCVGFEUMJKXJJF-ILXRZTDVSA-N 1 0 306.410 0.617 50 0 DCAARO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000195554220 416326730 /nfs/dbraw/zinc/32/67/30/416326730.db2.gz ADFRPVMCGVUQIV-IRXDYDNUSA-N 1 0 316.449 0.925 50 0 DCAARO C[C@@H]1CCCN(C(=O)c2cnc3sccn3c2=O)[C@H]1C[NH3+] ZINC000237451835 416328303 /nfs/dbraw/zinc/32/83/03/416328303.db2.gz UQYINQKIFHCZEH-KOLCDFICSA-N 1 0 306.391 0.955 50 0 DCAARO COC(=O)Cn1ncc2c1ncnc2N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000241515530 416330030 /nfs/dbraw/zinc/33/00/30/416330030.db2.gz OGAQZQPMILBQSQ-WDEREUQCSA-N 1 0 318.381 0.528 50 0 DCAARO Cc1noc([C@@H]2CCCN([C@H](C)C(=O)N3CCOCC3)C2)n1 ZINC000242048069 416330320 /nfs/dbraw/zinc/33/03/20/416330320.db2.gz VSLXECMFJVIODN-DGCLKSJQSA-N 1 0 308.382 0.805 50 0 DCAARO NC(=O)[C@@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000585117644 416517613 /nfs/dbraw/zinc/51/76/13/416517613.db2.gz PXGZECAJEAASNR-MRVPVSSYSA-N 1 0 324.182 0.799 50 0 DCAARO COC(=O)C[C@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000585129381 416519385 /nfs/dbraw/zinc/51/93/85/416519385.db2.gz HTLFHBYKQLAYRQ-CYBMUJFWSA-N 1 0 312.410 0.899 50 0 DCAARO COCCn1cc(NC(=O)C(C)(C)C[NH+]2CCOCC2)cn1 ZINC000585129780 416520266 /nfs/dbraw/zinc/52/02/66/416520266.db2.gz WDFNDZNCAVYHPS-UHFFFAOYSA-N 1 0 310.398 0.826 50 0 DCAARO Nc1n[nH]c(CNC(=O)c2cc(Cl)ccc2OCC[NH3+])n1 ZINC000426423148 416768372 /nfs/dbraw/zinc/76/83/72/416768372.db2.gz XFIJNDPPNXJKRY-UHFFFAOYSA-N 1 0 310.745 0.308 50 0 DCAARO CC(C)n1cnc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000528057449 417298068 /nfs/dbraw/zinc/29/80/68/417298068.db2.gz WCKHMJMCYRQMRF-UHFFFAOYSA-N 1 0 302.400 0.250 50 0 DCAARO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1=O ZINC000299749367 229394018 /nfs/dbraw/zinc/39/40/18/229394018.db2.gz KCDJNOOAJDGFQD-RZFFKMDDSA-N 1 0 301.390 0.682 50 0 DCAARO CC(C)n1cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cn1 ZINC000528056934 272631139 /nfs/dbraw/zinc/63/11/39/272631139.db2.gz QPTUXYOGQLUOML-UHFFFAOYSA-N 1 0 302.400 0.250 50 0 DCAARO [NH3+]Cc1nc2ccc(I)cc2c(=O)[nH]1 ZINC000215672931 274953755 /nfs/dbraw/zinc/95/37/55/274953755.db2.gz DDDMEFFYMNHISY-UHFFFAOYSA-N 1 0 301.087 0.986 50 0 DCAARO COCCO[C@H]1C(=O)N(C2CC[NH2+]CC2)[C@H]1c1ccncc1 ZINC000169676591 277540407 /nfs/dbraw/zinc/54/04/07/277540407.db2.gz KAUWBVJADQBPAC-LSDHHAIUSA-N 1 0 305.378 0.749 50 0 DCAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)CC1 ZINC000002395263 279376018 /nfs/dbraw/zinc/37/60/18/279376018.db2.gz KOUZJQSLZYCGNY-UHFFFAOYSA-N 1 0 320.397 0.146 50 0 DCAARO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000131135763 295245376 /nfs/dbraw/zinc/24/53/76/295245376.db2.gz OXXYDJAIDZAZFL-ZJUUUORDSA-N 1 0 307.316 0.737 50 0 DCAARO [NH3+][C@@H]1CCCN(S(=O)(=O)CCOc2ccc(F)cc2)C1 ZINC000534591488 334294261 /nfs/dbraw/zinc/29/42/61/334294261.db2.gz SFVVCTTXXXPSLM-GFCCVEGCSA-N 1 0 302.371 0.957 50 0 DCAARO Cn1cnnc1CCC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000534640909 334310996 /nfs/dbraw/zinc/31/09/96/334310996.db2.gz YEWIWPDLBCAUIF-STQMWFEESA-N 1 0 307.398 0.117 50 0 DCAARO CCn1nc(C)cc1S(=O)(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC000534641426 334311291 /nfs/dbraw/zinc/31/12/91/334311291.db2.gz REFOUYFLYVNPQR-LBPRGKRZSA-N 1 0 300.428 0.832 50 0 DCAARO O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000534662162 334322221 /nfs/dbraw/zinc/32/22/21/334322221.db2.gz KOKRMJNYZJILGU-MRVPVSSYSA-N 1 0 321.303 0.144 50 0 DCAARO O=C(NCCc1ccc(Br)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276663500 534445757 /nfs/dbraw/zinc/44/57/57/534445757.db2.gz QARAYBWMYOKEMO-VXGBXAGGSA-N 1 0 313.195 0.831 50 0 DCAARO O=C(NCCc1ccc(Br)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299738377 534446180 /nfs/dbraw/zinc/44/61/80/534446180.db2.gz QARAYBWMYOKEMO-NEPJUHHUSA-N 1 0 313.195 0.831 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c(C)o1 ZINC000158278114 522259240 /nfs/dbraw/zinc/25/92/40/522259240.db2.gz NXUPUNBHUXFOOE-SECBINFHSA-N 1 0 301.368 0.059 50 0 DCAARO [NH3+][C@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C1 ZINC000152270903 534728853 /nfs/dbraw/zinc/72/88/53/534728853.db2.gz DIUDASLRWOCOSM-JTQLQIEISA-N 1 0 314.183 0.561 50 0 DCAARO C[C@]1(c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2)NC(=O)NC1=O ZINC000157850048 525314478 /nfs/dbraw/zinc/31/44/78/525314478.db2.gz ACLFFIBCSBMUDL-MLGOLLRUSA-N 1 0 316.361 0.305 50 0 DCAARO CCNC(=O)c1cccc(NC(=O)NC[C@]2(O)CC[NH2+]C2)c1 ZINC000299766758 528272396 /nfs/dbraw/zinc/27/23/96/528272396.db2.gz HDDBCNNZSGYPDU-HNNXBMFYSA-N 1 0 306.366 0.282 50 0 DCAARO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000084281154 545701046 /nfs/dbraw/zinc/70/10/46/545701046.db2.gz WMTVPLRXZDWKPT-KGLIPLIRSA-N 1 0 308.382 0.980 50 0 DCAARO CC[N@@H+]1CCC[C@@H](CN2CCN(CCn3cncn3)CC2)C1 ZINC000215962364 545938865 /nfs/dbraw/zinc/93/88/65/545938865.db2.gz LKTJWWGRVQGGKW-MRXNPFEDSA-N 1 0 306.458 0.628 50 0 DCAARO O=C(NCCNc1ncccn1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229190258 545947193 /nfs/dbraw/zinc/94/71/93/545947193.db2.gz QIFFUTJUNREIHS-OLZOCXBDSA-N 1 0 304.398 0.815 50 0 DCAARO CC[NH+]1CCN(CC(=O)NCCc2nc(C3CC3)no2)CC1 ZINC000670437240 547090457 /nfs/dbraw/zinc/09/04/57/547090457.db2.gz MXISAKNOGMERBA-UHFFFAOYSA-N 1 0 307.398 0.243 50 0 DCAARO CN(C)C(=O)CN1CC[C@@H]([N@H+](C)CC2(C)COC2)CCC1=O ZINC000670450615 547096756 /nfs/dbraw/zinc/09/67/56/547096756.db2.gz LGNDXQIGTDZZNF-ZDUSSCGKSA-N 1 0 311.426 0.424 50 0 DCAARO CCCc1nc(N2CCC3(CC2)C(=O)NCCC[N@H+]3C)no1 ZINC000670470017 547100276 /nfs/dbraw/zinc/10/02/76/547100276.db2.gz OQPQXSKBKBWARF-UHFFFAOYSA-N 1 0 307.398 0.813 50 0 DCAARO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cnn(C)c1N)C2 ZINC000685942758 548747633 /nfs/dbraw/zinc/74/76/33/548747633.db2.gz VEHAIEBQHGKGBC-NFFDBFGFSA-N 1 0 321.425 0.212 50 0 DCAARO COc1ccc(CCNC(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000206610532 563621619 /nfs/dbraw/zinc/62/16/19/563621619.db2.gz XBGXEMNQNNIZOJ-UHFFFAOYSA-N 1 0 321.421 0.994 50 0 DCAARO C[C@H](C(=O)NCC1(C[NH+]2CCN(C)CC2)CC1)n1ccnc1 ZINC000426412421 661580724 /nfs/dbraw/zinc/58/07/24/661580724.db2.gz RECGPQWLZJUFIH-CQSZACIVSA-N 1 0 305.426 0.588 50 0 DCAARO C[NH+](C)CCN(C[C@H]1CCCO1)S(=O)(=O)N1CCCCC1 ZINC000952965775 685598665 /nfs/dbraw/zinc/59/86/65/685598665.db2.gz GIZXGKPKSYXDRK-CQSZACIVSA-N 1 0 319.471 0.760 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CN(C)Cc2c(CO)cnc(C)c2O)C1 ZINC000952984713 685601873 /nfs/dbraw/zinc/60/18/73/685601873.db2.gz YZNDHOLUFGYZBM-AWEZNQCLSA-N 1 0 323.437 0.988 50 0 DCAARO O=C(NCC1CC[NH+](C[C@H]2CCOC2)CC1)c1cnccn1 ZINC000952986853 685602897 /nfs/dbraw/zinc/60/28/97/685602897.db2.gz ITQZTLCAMQKQEO-CQSZACIVSA-N 1 0 304.394 0.955 50 0 DCAARO Cc1nc2c(c(C)n1)C[C@@H](C[N@H+]1C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C1)O2 ZINC000072125687 685073559 /nfs/dbraw/zinc/07/35/59/685073559.db2.gz HYKPRBCHTSSBSA-AKIOZOGOSA-N 1 0 319.405 0.461 50 0 DCAARO C[N@@H+]1C[C@H]2COC[C@@H]1CN(C(=O)Cc1[nH]nc3ccccc31)C2 ZINC001704324683 1179972278 /nfs/dbraw/zinc/97/22/78/1179972278.db2.gz CSVDKNQLSQBOPP-OLZOCXBDSA-N 1 0 314.389 0.894 50 0 DCAARO C[N@H+](CC(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1)C1CCCC1 ZINC001704355983 1179984166 /nfs/dbraw/zinc/98/41/66/1179984166.db2.gz UZNMAWKWHHSWLR-CZUORRHYSA-N 1 0 318.421 0.713 50 0 DCAARO C[C@H](CS(C)(=O)=O)[NH2+]C1CCN(C2CCOCC2)CC1 ZINC000821381965 758172883 /nfs/dbraw/zinc/17/28/83/758172883.db2.gz YHWRYAAMFVNPKF-GFCCVEGCSA-N 1 0 304.456 0.653 50 0 DCAARO CCNC(=O)N1CCC([NH2+][C@@H](C)CNS(=O)(=O)CC)CC1 ZINC000823126710 758227018 /nfs/dbraw/zinc/22/70/18/758227018.db2.gz LQMFEDZACVAKSN-NSHDSACASA-N 1 0 320.459 0.098 50 0 DCAARO Cc1ccc(CS(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H](O)C2)cc1 ZINC000823730086 758268162 /nfs/dbraw/zinc/26/81/62/758268162.db2.gz KDVRWNTVBACDOB-GJZGRUSLSA-N 1 0 312.435 0.822 50 0 DCAARO COc1cc(C)ccc1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000824541341 758776011 /nfs/dbraw/zinc/77/60/11/758776011.db2.gz ZUAIBUCWXXIASE-RYUDHWBXSA-N 1 0 314.407 0.299 50 0 DCAARO CO[C@@H]1CS(=O)(=O)C[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000824499179 758778072 /nfs/dbraw/zinc/77/80/72/758778072.db2.gz JLERGOOFBLKOCB-VXGBXAGGSA-N 1 0 304.456 0.697 50 0 DCAARO Cc1cnc(C)nc1N1CC[N@H+](CCC[NH3+])C[C@@H](C(=O)[O-])C1 ZINC000827369464 758860666 /nfs/dbraw/zinc/86/06/66/758860666.db2.gz VYZDXYYNERNZTO-CYBMUJFWSA-N 1 0 307.398 0.265 50 0 DCAARO CC(C)[NH+]1CCN(C(=O)[C@H]2Cn3cccc3C(=O)N2C)CC1 ZINC000581787372 760248699 /nfs/dbraw/zinc/24/86/99/760248699.db2.gz BWAUDRSHMNCZPL-CQSZACIVSA-N 1 0 304.394 0.495 50 0 DCAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)CN2CCCCC2=O)C1 ZINC000219580865 766271099 /nfs/dbraw/zinc/27/10/99/766271099.db2.gz FQLPWCJVNVYECS-ZIAGYGMSSA-N 1 0 311.426 0.018 50 0 DCAARO CC(C)(CN(CCO)[C@@H]1CCS(=O)(=O)C1)C[NH+]1CCCC1 ZINC000952869903 768926435 /nfs/dbraw/zinc/92/64/35/768926435.db2.gz OWDJWUWVRUSYPO-CQSZACIVSA-N 1 0 318.483 0.590 50 0 DCAARO CN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@@H]1O ZINC001529159125 1014509508 /nfs/dbraw/zinc/50/95/08/1014509508.db2.gz OQRRELXJKSPJDP-HOCLYGCPSA-N 1 0 324.446 0.338 50 0 DCAARO CC(C)[N@@H+]1CCCN(c2nccc(N3CC[C@H](O)C3)n2)CC1 ZINC001529168054 1014511904 /nfs/dbraw/zinc/51/19/04/1014511904.db2.gz WNJGBWHDVCTQQH-AWEZNQCLSA-N 1 0 305.426 0.968 50 0 DCAARO COC[C@H]1CCCN(S(=O)(=O)NCC(C)(C)[NH+](C)C)C1 ZINC001506397084 1017234111 /nfs/dbraw/zinc/23/41/11/1017234111.db2.gz YKZMSSUTMQTBJS-LBPRGKRZSA-N 1 0 307.460 0.519 50 0 DCAARO CC(C)Oc1cc(N2CC[C@H](N3CC[NH+](C)CC3)C2)nc(N)n1 ZINC001506398251 1017252489 /nfs/dbraw/zinc/25/24/89/1017252489.db2.gz OARPCQFXVOOVTC-ZDUSSCGKSA-N 1 0 320.441 0.672 50 0 DCAARO Cn1ccnc1-c1ccc(NC[C@@H]2C[N@H+](C)CCN2C)nn1 ZINC001506417779 1017262622 /nfs/dbraw/zinc/26/26/22/1017262622.db2.gz LDMZJMQXSBFDPZ-GFCCVEGCSA-N 1 0 301.398 0.535 50 0 DCAARO CNC(=O)Cn1cc(NC(=O)[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC001506428845 1017268868 /nfs/dbraw/zinc/26/88/68/1017268868.db2.gz QZDFJHVBCWLLQR-LBPRGKRZSA-N 1 0 307.398 0.690 50 0 DCAARO C[N@@H+]1CCCN(c2cnn(Cc3nccs3)c(=O)c2)CC1 ZINC000095511619 185376016 /nfs/dbraw/zinc/37/60/16/185376016.db2.gz IYBMGELHXGSFSS-UHFFFAOYSA-N 1 0 305.407 0.890 50 0 DCAARO C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1[NH+](C)C ZINC000078895194 185124022 /nfs/dbraw/zinc/12/40/22/185124022.db2.gz INMFFPWDAWAABO-MWLCHTKSSA-N 1 0 306.391 0.778 50 0 DCAARO COC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(C(=O)OC)cc2)CC1 ZINC000082160331 185174180 /nfs/dbraw/zinc/17/41/80/185174180.db2.gz AUBCGRLZBYETMD-CQSZACIVSA-N 1 0 321.377 0.096 50 0 DCAARO COc1ccc2n[nH]c(C[N@@H+]3CC[C@@]4(CC(=O)NC4=O)C3)c2c1 ZINC000082097010 192354863 /nfs/dbraw/zinc/35/48/63/192354863.db2.gz PFCDKWYZNVUPIU-MRXNPFEDSA-N 1 0 314.345 0.810 50 0 DCAARO C[C@@H]([NH3+])C(=O)Nc1ccc(F)c(N2CCS(=O)(=O)CC2)c1 ZINC000096999976 185396018 /nfs/dbraw/zinc/39/60/18/185396018.db2.gz KZQVUYAJWXGWIJ-SECBINFHSA-N 1 0 315.370 0.346 50 0 DCAARO CNS(=O)(=O)CCC[N@H+](C)[C@@H](CO)c1cccc(F)c1 ZINC000095395049 185352434 /nfs/dbraw/zinc/35/24/34/185352434.db2.gz PJJMFKVVZIWIAK-ZDUSSCGKSA-N 1 0 304.387 0.730 50 0 DCAARO CNC(=O)COc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1OC ZINC000262011662 529864945 /nfs/dbraw/zinc/86/49/45/529864945.db2.gz JWLNGYDGQOIFJR-LLVKDONJSA-N 1 0 321.377 0.254 50 0 DCAARO C[C@@H](C(N)=O)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000063301882 190696673 /nfs/dbraw/zinc/69/66/73/190696673.db2.gz DGWLDYBSIXCBDQ-NSHDSACASA-N 1 0 309.435 0.993 50 0 DCAARO Cc1ccc(C)c(NC(=O)CCNC(=O)[C@@H]2C[C@H]([NH3+])CN2C)c1 ZINC000067975285 190741030 /nfs/dbraw/zinc/74/10/30/190741030.db2.gz PVURWTOJOGAZQR-ZFWWWQNUSA-N 1 0 318.421 0.780 50 0 DCAARO Cc1nnc(SCCCNC(=O)[C@@H]2C[NH2+]CCO2)s1 ZINC000072138973 191047436 /nfs/dbraw/zinc/04/74/36/191047436.db2.gz VFYWHSGNIOCPCC-VIFPVBQESA-N 1 0 302.425 0.433 50 0 DCAARO Cc1nnnn1CCC[N@@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000072145282 191050786 /nfs/dbraw/zinc/05/07/86/191050786.db2.gz GKXQRLQBKPQNDI-MRXNPFEDSA-N 1 0 322.457 0.948 50 0 DCAARO Cc1ncc2c(c1CNC(=O)[C@@H](NC(N)=O)C(C)C)CC[NH2+]C2 ZINC000072157713 191061174 /nfs/dbraw/zinc/06/11/74/191061174.db2.gz OYNLOVJJUZMAIT-AWEZNQCLSA-N 1 0 319.409 0.345 50 0 DCAARO Cc1nc(CNC(=O)C[C@@H]2COCC[NH2+]2)nc2c1CCCC2 ZINC000072167828 191066639 /nfs/dbraw/zinc/06/66/39/191066639.db2.gz XSBLOVNAKKTURM-GFCCVEGCSA-N 1 0 304.394 0.659 50 0 DCAARO Cn1cnnc1-c1ccc(NC(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000072172943 191068960 /nfs/dbraw/zinc/06/89/60/191068960.db2.gz USOKCYSFLWTACJ-CYBMUJFWSA-N 1 0 301.350 0.799 50 0 DCAARO C[C@H](C(=O)N1CC[NH2+][C@H](C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000237447835 186290714 /nfs/dbraw/zinc/29/07/14/186290714.db2.gz ZMFRRAJENAZYGT-GHMZBOCLSA-N 1 0 314.382 0.808 50 0 DCAARO C[C@H](Cc1cnccn1)NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072425687 191159724 /nfs/dbraw/zinc/15/97/24/191159724.db2.gz FVBXKHPDWSQGGP-GFCCVEGCSA-N 1 0 314.393 0.456 50 0 DCAARO CC(C)c1cc(N2CC[NH+](CCC(N)=O)CC2)n2nccc2n1 ZINC000072434471 191166411 /nfs/dbraw/zinc/16/64/11/191166411.db2.gz QWIUPKHYZIYWTM-UHFFFAOYSA-N 1 0 316.409 0.850 50 0 DCAARO CC(C)(C)OC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC000004276645 181091790 /nfs/dbraw/zinc/09/17/90/181091790.db2.gz BVXKBSLSSYVPMW-NSHDSACASA-N 1 0 301.387 0.084 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)o1 ZINC000076050706 191561676 /nfs/dbraw/zinc/56/16/76/191561676.db2.gz QCIIPCSPMUPLRS-ZJUUUORDSA-N 1 0 315.395 0.210 50 0 DCAARO Cc1nn(C)c(C)c1CCN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000077518577 191730043 /nfs/dbraw/zinc/73/00/43/191730043.db2.gz NHIIQJINKBQSSH-UHFFFAOYSA-N 1 0 305.382 0.253 50 0 DCAARO O=C(Cc1cccnc1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077471364 191720029 /nfs/dbraw/zinc/72/00/29/191720029.db2.gz NZILTGZGPSBLSR-KRWDZBQOSA-N 1 0 319.405 0.310 50 0 DCAARO CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@H](C[NH2+]C)C2)C1=O ZINC000236873352 202046304 /nfs/dbraw/zinc/04/63/04/202046304.db2.gz RJGYJHYLTCTRTO-GFCCVEGCSA-N 1 0 324.425 0.555 50 0 DCAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC000237357693 202243263 /nfs/dbraw/zinc/24/32/63/202243263.db2.gz FIRCOJKIVWVVDA-NEPJUHHUSA-N 1 0 300.366 0.862 50 0 DCAARO Cn1c(CCNC(=O)[C@H]2C[NH2+]CCO2)nc2cc(F)ccc21 ZINC000188193912 200206351 /nfs/dbraw/zinc/20/63/51/200206351.db2.gz PDNBZJBRYNRBAO-CYBMUJFWSA-N 1 0 306.341 0.360 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CC[NH2+]1 ZINC000188409875 200241518 /nfs/dbraw/zinc/24/15/18/200241518.db2.gz YPQUCTKXBZNCQY-UXIGCNINSA-N 1 0 319.409 0.150 50 0 DCAARO Cc1noc(CN2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000237689488 202328388 /nfs/dbraw/zinc/32/83/88/202328388.db2.gz AQONSKZPZJWYNI-QWHCGFSZSA-N 1 0 307.398 0.540 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1CCCOc1cccc(OC)c1 ZINC000091441752 193055993 /nfs/dbraw/zinc/05/59/93/193055993.db2.gz IWZPCEONMKIMTK-DOMZBBRYSA-N 1 0 307.394 0.612 50 0 DCAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C2)on1 ZINC000091444484 193056267 /nfs/dbraw/zinc/05/62/67/193056267.db2.gz HHWYQZHFCBZYBE-ZIAGYGMSSA-N 1 0 324.425 0.157 50 0 DCAARO CN(CC(=O)N1C[C@H](CO)[C@H](C[NH+](C)C)C1)Cc1cccnc1 ZINC000091624652 193080598 /nfs/dbraw/zinc/08/05/98/193080598.db2.gz AHJXFLKONMTYNW-HZPDHXFCSA-N 1 0 320.437 0.142 50 0 DCAARO CCN1CC2(CCC1=O)CC[NH+](CCCn1cnnn1)CC2 ZINC000091914570 193125800 /nfs/dbraw/zinc/12/58/00/193125800.db2.gz YIZFYEKWUONWSN-UHFFFAOYSA-N 1 0 306.414 0.788 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(C)c[nH]2)C[C@@H]1CO ZINC000092062483 193151105 /nfs/dbraw/zinc/15/11/05/193151105.db2.gz RVJQROXUTGZAFW-ZIAGYGMSSA-N 1 0 309.410 0.582 50 0 DCAARO CC[N@H+](CCO)C[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1CO ZINC000092077220 193154023 /nfs/dbraw/zinc/15/40/23/193154023.db2.gz FGTKHYSTANWRJT-ZIAGYGMSSA-N 1 0 324.396 0.820 50 0 DCAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC(=O)N1 ZINC000093065774 193199078 /nfs/dbraw/zinc/19/90/78/193199078.db2.gz LIQMHXCNEGGVAH-AWEZNQCLSA-N 1 0 302.378 0.693 50 0 DCAARO COc1c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)nn1C ZINC000093817787 193311916 /nfs/dbraw/zinc/31/19/16/193311916.db2.gz JOPKBPQEEGRZND-AWEZNQCLSA-N 1 0 308.426 0.891 50 0 DCAARO C[NH+](C)CCCNC(=S)Nc1ccc(-n2cnnn2)cc1 ZINC000007738007 181491326 /nfs/dbraw/zinc/49/13/26/181491326.db2.gz CTCCWQCBXGRXEA-UHFFFAOYSA-N 1 0 305.411 0.900 50 0 DCAARO CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1NCCC[NH+](C)C ZINC000024000010 182372320 /nfs/dbraw/zinc/37/23/20/182372320.db2.gz DVQNGFFLCJGUSI-UHFFFAOYSA-N 1 0 319.409 0.558 50 0 DCAARO CC(C)[N@H+](C)CC(=O)N1CCC(Cn2cc([C@@H](C)O)nn2)CC1 ZINC000039499970 183019699 /nfs/dbraw/zinc/01/96/99/183019699.db2.gz UDOWPLYBSJYNBU-CYBMUJFWSA-N 1 0 323.441 0.910 50 0 DCAARO O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000040834018 183140118 /nfs/dbraw/zinc/14/01/18/183140118.db2.gz BWQZDPCKHIRQEQ-GXSJLCMTSA-N 1 0 304.268 0.924 50 0 DCAARO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000106064566 194184654 /nfs/dbraw/zinc/18/46/54/194184654.db2.gz ODKDGZIJAATCKW-GHMZBOCLSA-N 1 0 322.409 0.359 50 0 DCAARO O=C(Cc1ccccc1)NCC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058328920 184106220 /nfs/dbraw/zinc/10/62/20/184106220.db2.gz DKZQZVMPHKZURY-OAHLLOKOSA-N 1 0 313.405 0.873 50 0 DCAARO COc1c(C[NH2+]CCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000058404230 184113731 /nfs/dbraw/zinc/11/37/31/184113731.db2.gz VLUCZIBADXHFDB-TXEJJXNPSA-N 1 0 324.425 0.853 50 0 DCAARO O=C(CSc1nnnn1C1CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000063114607 184271563 /nfs/dbraw/zinc/27/15/63/184271563.db2.gz OQIWEECSMCRBHV-VIFPVBQESA-N 1 0 308.411 0.453 50 0 DCAARO CC(=O)Nc1ccc(CNC(=O)C[NH2+]CCc2c[nH]cn2)cc1 ZINC000065422744 184342195 /nfs/dbraw/zinc/34/21/95/184342195.db2.gz YBDSHQSTDLEANF-UHFFFAOYSA-N 1 0 315.377 0.817 50 0 DCAARO C[C@H]([NH2+]CCSc1nnnn1C)C(=O)Nc1nccs1 ZINC000065535229 184362326 /nfs/dbraw/zinc/36/23/26/184362326.db2.gz GAEPXPLWEXNATA-ZETCQYMHSA-N 1 0 313.412 0.376 50 0 DCAARO Cn1cnc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1Cl ZINC000222576438 257239820 /nfs/dbraw/zinc/23/98/20/257239820.db2.gz BLQLLSFHFUGJSY-UWVGGRQHSA-N 1 0 318.830 0.979 50 0 DCAARO CC(C)(C(=O)N1CCN(c2ncc[nH]c2=O)CC1)[NH+]1CCCC1 ZINC000426684391 257244485 /nfs/dbraw/zinc/24/44/85/257244485.db2.gz JPFWJNFXMBBKTJ-UHFFFAOYSA-N 1 0 319.409 0.293 50 0 DCAARO Cn1c(SCC(=O)N2CCCC2)nnc1[C@H]1CCC[NH2+]C1 ZINC000426620307 257245079 /nfs/dbraw/zinc/24/50/79/257245079.db2.gz XITHKCOTWTWDII-NSHDSACASA-N 1 0 309.439 0.997 50 0 DCAARO C[NH+](C)CC(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000012299225 395687452 /nfs/dbraw/zinc/68/74/52/395687452.db2.gz XXHYJQXXLWZDFJ-AWEZNQCLSA-N 1 0 307.369 0.647 50 0 DCAARO Cc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)cc1F ZINC000014751103 395689609 /nfs/dbraw/zinc/68/96/09/395689609.db2.gz AEBFHDCRTGNDEK-OSMZGAPFSA-N 1 0 305.353 0.712 50 0 DCAARO COC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(C)cc1 ZINC000002391153 395681538 /nfs/dbraw/zinc/68/15/38/395681538.db2.gz XWVNOUSQIVZZJK-ZDUSSCGKSA-N 1 0 314.407 0.944 50 0 DCAARO C[N@H+](CCO)C[C@H]1COCCN1C(=O)c1cc(C2CC2)on1 ZINC000085470267 395701356 /nfs/dbraw/zinc/70/13/56/395701356.db2.gz CZBVGWMAKCTSRQ-LBPRGKRZSA-N 1 0 309.366 0.317 50 0 DCAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000030971241 395705142 /nfs/dbraw/zinc/70/51/42/395705142.db2.gz NIUZIWCOHFOZQB-ABAIWWIYSA-N 1 0 317.389 0.996 50 0 DCAARO COC[C@@H](O)C[N@H+](CCO)C[C@H](O)Cn1ccc2ccccc21 ZINC000036602823 395723870 /nfs/dbraw/zinc/72/38/70/395723870.db2.gz QHFPUUSVICKZOS-HOTGVXAUSA-N 1 0 322.405 0.304 50 0 DCAARO C[C@H]1NC(=S)N(Cc2ccc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000032778514 395713454 /nfs/dbraw/zinc/71/34/54/395713454.db2.gz VACGCVCHYWRIPZ-LLVKDONJSA-N 1 0 319.434 0.439 50 0 DCAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CNC(=O)N1 ZINC000089787635 395715430 /nfs/dbraw/zinc/71/54/30/395715430.db2.gz GDURXOQQHBPWGF-CQSZACIVSA-N 1 0 320.368 0.588 50 0 DCAARO COc1cccc(OCCNC(=O)CN2CC[N@H+](C)C[C@@H]2C)c1 ZINC000089939031 395716950 /nfs/dbraw/zinc/71/69/50/395716950.db2.gz SOBSLUJGUHZZBX-AWEZNQCLSA-N 1 0 321.421 0.826 50 0 DCAARO C[C@H]1C[N@H+](C)CCN1CC(=O)NCCOc1cccc(F)c1 ZINC000089939027 395717129 /nfs/dbraw/zinc/71/71/29/395717129.db2.gz FDEJQIKTSFGOIO-ZDUSSCGKSA-N 1 0 309.385 0.957 50 0 DCAARO CCc1nc(CN(C)[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)no1 ZINC000095402653 395740322 /nfs/dbraw/zinc/74/03/22/395740322.db2.gz HFMVXBUTIGHDGH-NWDGAFQWSA-N 1 0 309.414 0.615 50 0 DCAARO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000046147913 395771450 /nfs/dbraw/zinc/77/14/50/395771450.db2.gz NDARZRZEJYSWRG-CABCVRRESA-N 1 0 301.390 0.855 50 0 DCAARO COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N1CC[C@@H](CO)C1 ZINC000225358785 395859081 /nfs/dbraw/zinc/85/90/81/395859081.db2.gz LJZFUCJMVFLCBI-GHMZBOCLSA-N 1 0 302.371 0.367 50 0 DCAARO C[C@H](CNC(=O)[C@@H](O)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000225420450 395859687 /nfs/dbraw/zinc/85/96/87/395859687.db2.gz HBIPPRCNMHDXKN-WBVHZDCISA-N 1 0 319.449 0.590 50 0 DCAARO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccncc1Br ZINC000195554077 395831672 /nfs/dbraw/zinc/83/16/72/395831672.db2.gz LMJHZJJYXXFVSY-ZJUUUORDSA-N 1 0 300.156 0.561 50 0 DCAARO CC[N@@H+]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)[C@@H](OC)C1 ZINC000220167020 395847745 /nfs/dbraw/zinc/84/77/45/395847745.db2.gz MCYVRIBRECITGB-STQMWFEESA-N 1 0 316.361 0.372 50 0 DCAARO [NH3+]C1CC(c2cc(N3CCN(CCO)CC3)nc(C3CC3)n2)C1 ZINC000220323422 395848094 /nfs/dbraw/zinc/84/80/94/395848094.db2.gz BPNABMGRJUZHJI-UHFFFAOYSA-N 1 0 317.437 0.673 50 0 DCAARO Cn1cc(C[NH2+]CCNS(C)(=O)=O)c(-c2ccncc2)n1 ZINC000051188293 395848336 /nfs/dbraw/zinc/84/83/36/395848336.db2.gz VTJADDRQDOZLER-UHFFFAOYSA-N 1 0 309.395 0.121 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(Cc2ccco2)CC1 ZINC000051204685 395848419 /nfs/dbraw/zinc/84/84/19/395848419.db2.gz LDLKGGYPUZUMJR-CQSZACIVSA-N 1 0 307.394 0.381 50 0 DCAARO CN1CC[NH+](CCC(=O)N2CC[C@@](O)(c3ccccc3)C2)CC1 ZINC000220446727 395848719 /nfs/dbraw/zinc/84/87/19/395848719.db2.gz DUUNOYZCLJBRLY-SFHVURJKSA-N 1 0 317.433 0.744 50 0 DCAARO COCC[N@@H+]1CC[C@H](C(=O)NCCCn2ccccc2=O)C1 ZINC000244898796 395925797 /nfs/dbraw/zinc/92/57/97/395925797.db2.gz ZBSNZWAGJRJCLW-AWEZNQCLSA-N 1 0 307.394 0.323 50 0 DCAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CC[C@H](NC(C)=O)C2)n1 ZINC000244884215 395926079 /nfs/dbraw/zinc/92/60/79/395926079.db2.gz YHOPAGIIHRAVJF-AVGNSLFASA-N 1 0 319.409 0.543 50 0 DCAARO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc3cnccc32)CCO1 ZINC000225495197 395861708 /nfs/dbraw/zinc/86/17/08/395861708.db2.gz MPYSKNFSJOOQSX-BXUZGUMPSA-N 1 0 321.402 0.972 50 0 DCAARO C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CCO1 ZINC000229476857 395874533 /nfs/dbraw/zinc/87/45/33/395874533.db2.gz NRNUKXKQPKUSLI-UONOGXRCSA-N 1 0 307.398 0.237 50 0 DCAARO NC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000229526464 395874660 /nfs/dbraw/zinc/87/46/60/395874660.db2.gz MIAJHDXMCCTJRD-DGCLKSJQSA-N 1 0 303.362 0.434 50 0 DCAARO CCOCCN1CCN(C(=O)CNC(=O)[C@@H](C)CC)C[C@@H]1C ZINC000229814203 395876403 /nfs/dbraw/zinc/87/64/03/395876403.db2.gz JQICOMKFQXSCHO-KBPBESRZSA-N 1 0 313.442 0.718 50 0 DCAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000248097959 395982268 /nfs/dbraw/zinc/98/22/68/395982268.db2.gz DHQCJGRQXRNXMQ-XQQFMLRXSA-N 1 0 300.424 0.506 50 0 DCAARO COC[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000065434506 395993198 /nfs/dbraw/zinc/99/31/98/395993198.db2.gz DUPSPZKTGVPHRX-ZDUSSCGKSA-N 1 0 321.425 0.668 50 0 DCAARO Cc1nc(C)c(CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(=O)[nH]1 ZINC000067805640 396033959 /nfs/dbraw/zinc/03/39/59/396033959.db2.gz FLWWFADIRHIPFB-INIZCTEOSA-N 1 0 304.394 0.531 50 0 DCAARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)c1ccncc1)CC2 ZINC000067805129 396034035 /nfs/dbraw/zinc/03/40/35/396034035.db2.gz NBROETBBKUWOMA-UHFFFAOYSA-N 1 0 302.378 0.508 50 0 DCAARO COCC(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1CO ZINC000257186811 396035069 /nfs/dbraw/zinc/03/50/69/396035069.db2.gz KUDUUZZAAWRRIM-JKSUJKDBSA-N 1 0 306.406 0.675 50 0 DCAARO O=C(CN1CCOC1=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000067974766 396041306 /nfs/dbraw/zinc/04/13/06/396041306.db2.gz ICAAQHGPELDRLX-UHFFFAOYSA-N 1 0 303.362 0.613 50 0 DCAARO C[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000069161056 396072024 /nfs/dbraw/zinc/07/20/24/396072024.db2.gz WDLJDQFEIVQJCA-TZMCWYRMSA-N 1 0 308.378 0.759 50 0 DCAARO CCn1nc(C)c(S(=O)(=O)N[C@@H]2C[N@H+](C)C[C@H]2C)c1C ZINC000257366452 396046869 /nfs/dbraw/zinc/04/68/69/396046869.db2.gz ZJCVWROAHABVOS-BXKDBHETSA-N 1 0 300.428 0.748 50 0 DCAARO Cc1ccnn1CC[NH+]1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000252480493 396020237 /nfs/dbraw/zinc/02/02/37/396020237.db2.gz CAZWOJISPGIZTI-UHFFFAOYSA-N 1 0 319.453 0.997 50 0 DCAARO COCCNC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000069846379 396091871 /nfs/dbraw/zinc/09/18/71/396091871.db2.gz JMEZRLUBQNFACF-UHFFFAOYSA-N 1 0 320.437 0.880 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@H](O)Cn3cccn3)C2)n1 ZINC000069847504 396092045 /nfs/dbraw/zinc/09/20/45/396092045.db2.gz YEYPURWZKGMPBR-HOTGVXAUSA-N 1 0 318.425 0.865 50 0 DCAARO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000071837421 396117675 /nfs/dbraw/zinc/11/76/75/396117675.db2.gz MJKLLNYWVYXZKV-ZDUSSCGKSA-N 1 0 322.409 0.309 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000071877167 396121082 /nfs/dbraw/zinc/12/10/82/396121082.db2.gz OERKKAULKQRDJC-ZIAGYGMSSA-N 1 0 314.451 0.624 50 0 DCAARO C[C@]1([C@H]2CCC[N@H+](CCc3ccccn3)C2)NC(=O)NC1=O ZINC000072300753 396130718 /nfs/dbraw/zinc/13/07/18/396130718.db2.gz JXUAMWMGEBPSCP-BLLLJJGKSA-N 1 0 302.378 0.934 50 0 DCAARO COc1cc(C)c([C@H](C)NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1OC ZINC000277569268 396075252 /nfs/dbraw/zinc/07/52/52/396075252.db2.gz NTDUIFOYAFQSPZ-GMXVVIOVSA-N 1 0 308.378 0.912 50 0 DCAARO OCC[NH+]1CCN(CCCc2nnnn2-c2ccccc2)CC1 ZINC000069383456 396076715 /nfs/dbraw/zinc/07/67/15/396076715.db2.gz NPVBCOMANXMZRQ-UHFFFAOYSA-N 1 0 316.409 0.205 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1CNC[C@@H](C1CC1)[NH+](C)C ZINC000069581313 396083452 /nfs/dbraw/zinc/08/34/52/396083452.db2.gz KQDSGUMWSZFBLG-INIZCTEOSA-N 1 0 321.469 0.995 50 0 DCAARO CN1CCO[C@@H](C[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000069626415 396085237 /nfs/dbraw/zinc/08/52/37/396085237.db2.gz YTGUSCDNUHBHQF-DZGCQCFKSA-N 1 0 319.405 0.547 50 0 DCAARO Cn1c(=O)cc(C[N@@H+]2CCCC[C@H]2Cn2cccn2)n(C)c1=O ZINC000069632204 396085356 /nfs/dbraw/zinc/08/53/56/396085356.db2.gz PFUSCVCYBOAADL-ZDUSSCGKSA-N 1 0 317.393 0.335 50 0 DCAARO O=C1CCCN1C[C@@H](O)C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000075125746 396176862 /nfs/dbraw/zinc/17/68/62/396176862.db2.gz UIEIXTXLRDVOOF-AWEZNQCLSA-N 1 0 319.409 0.150 50 0 DCAARO C[NH2+]C[C@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000178998049 396217910 /nfs/dbraw/zinc/21/79/10/396217910.db2.gz PBVXTRYIJYJHTA-CYBMUJFWSA-N 1 0 314.389 0.855 50 0 DCAARO Cn1ncc(N2CCO[C@@H](CC[NH2+]C3CCOCC3)C2)cc1=O ZINC000077406137 396221272 /nfs/dbraw/zinc/22/12/72/396221272.db2.gz AGSMKIPWNJPJHA-HNNXBMFYSA-N 1 0 322.409 0.144 50 0 DCAARO O[C@]1(C[NH2+]CC2(c3ccccc3)CCOCC2)CNCCOC1 ZINC000077421891 396222008 /nfs/dbraw/zinc/22/20/08/396222008.db2.gz VESYVVXVMPCAKJ-SFHVURJKSA-N 1 0 320.433 0.675 50 0 DCAARO [NH3+]CCn1cc(C(=O)N[C@H](CO)Cc2ccc(Cl)cc2)nn1 ZINC000077457469 396223433 /nfs/dbraw/zinc/22/34/33/396223433.db2.gz DYHYMXKLGNGMAZ-LBPRGKRZSA-N 1 0 323.784 0.224 50 0 DCAARO C[NH+]1CCN(c2ccc(C(=O)N3CCOC[C@H](O)C3)cc2)CC1 ZINC000077486405 396224120 /nfs/dbraw/zinc/22/41/20/396224120.db2.gz MVYBJBSZWYNQDD-MRXNPFEDSA-N 1 0 319.405 0.272 50 0 DCAARO NC(=O)c1cccnc1N1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077489511 396224362 /nfs/dbraw/zinc/22/43/62/396224362.db2.gz UQFZRCZSDLWULM-INIZCTEOSA-N 1 0 304.394 0.608 50 0 DCAARO NC(=O)c1cncc(N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000080766099 396285958 /nfs/dbraw/zinc/28/59/58/396285958.db2.gz JKDRQFAURUODIV-UHFFFAOYSA-N 1 0 311.389 0.940 50 0 DCAARO C[C@@H](CN(C)C(=O)NCc1noc(C(N)=O)n1)C[NH+]1CCCC1 ZINC000584893095 396633990 /nfs/dbraw/zinc/63/39/90/396633990.db2.gz ZQSBDWOINGTMSC-JTQLQIEISA-N 1 0 324.385 0.042 50 0 DCAARO O=C1CC[C@@H]([NH2+]C2CCS(=O)(=O)CC2)CCN1CC1CC1 ZINC000584892558 396633997 /nfs/dbraw/zinc/63/39/97/396633997.db2.gz COXBXEPDAURUPX-CYBMUJFWSA-N 1 0 314.451 0.944 50 0 DCAARO COc1cccc2c(=O)n(C[C@H]3COCC[N@H+](C)C3)cnc12 ZINC000584891447 396634273 /nfs/dbraw/zinc/63/42/73/396634273.db2.gz YLDDOBKEKQBCHA-LBPRGKRZSA-N 1 0 303.362 0.983 50 0 DCAARO C[NH+](C)CCN1CCN(C(=O)[C@]2(C)CCCCO2)CCC1=O ZINC000584899221 396636331 /nfs/dbraw/zinc/63/63/31/396636331.db2.gz JGEDJBKAVAMRQF-INIZCTEOSA-N 1 0 311.426 0.568 50 0 DCAARO CCCN1C(=O)N[C@H](CC(=O)N2CCC[N@H+](CC)CC2)C1=O ZINC000584902486 396637275 /nfs/dbraw/zinc/63/72/75/396637275.db2.gz XSQNJTZLSIEJGN-GFCCVEGCSA-N 1 0 310.398 0.261 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC000299754190 396714438 /nfs/dbraw/zinc/71/44/38/396714438.db2.gz NFDHFEZAZGSNLJ-VNQPRFMTSA-N 1 0 322.453 0.092 50 0 DCAARO CNC(=O)c1cncc(/C=C\C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000493803976 397528746 /nfs/dbraw/zinc/52/87/46/397528746.db2.gz QVBPTIGXLISWLB-GEXIGZQTSA-N 1 0 302.378 0.794 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000606441282 397681031 /nfs/dbraw/zinc/68/10/31/397681031.db2.gz MMKZFBAOTNFHDB-JECSTDCCSA-N 1 0 323.418 0.428 50 0 DCAARO CCn1c(CN2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004225205 415128964 /nfs/dbraw/zinc/12/89/64/415128964.db2.gz ZQBVSWOJRYBZBV-LLVKDONJSA-N 1 0 319.409 0.828 50 0 DCAARO C[N@@H+]1CCC[C@@](O)(CN2CCN(Cc3ccncc3)CC2)C1 ZINC000046087378 415256068 /nfs/dbraw/zinc/25/60/68/415256068.db2.gz SPXVTAGGCOSJKP-KRWDZBQOSA-N 1 0 304.438 0.656 50 0 DCAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000047595743 415275235 /nfs/dbraw/zinc/27/52/35/415275235.db2.gz YXQXCMVCSGFHPF-JHJVBQTASA-N 1 0 317.455 0.451 50 0 DCAARO CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000044556757 415222142 /nfs/dbraw/zinc/22/21/42/415222142.db2.gz USHSHJGYLFTNDR-GFCCVEGCSA-N 1 0 311.407 0.548 50 0 DCAARO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[C@@H]([NH3+])C2)c2nonc21 ZINC000071745615 415408112 /nfs/dbraw/zinc/40/81/12/415408112.db2.gz STMKQDUPZIYNKV-NXEZZACHSA-N 1 0 310.379 0.998 50 0 DCAARO Cc1noc([C@H]2CCC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000071822593 415410015 /nfs/dbraw/zinc/41/00/15/415410015.db2.gz XUDKLYMGJIKPKU-NSHDSACASA-N 1 0 321.381 0.888 50 0 DCAARO CCOC(=O)c1[nH]c(=O)[nH]c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067460249 415374498 /nfs/dbraw/zinc/37/44/98/415374498.db2.gz BEYVSFQWSDDPRV-OAHLLOKOSA-N 1 0 308.382 0.455 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000067540813 415377758 /nfs/dbraw/zinc/37/77/58/415377758.db2.gz DPFVUNRAMHODOE-NEPJUHHUSA-N 1 0 319.361 0.022 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cn1nc(C)c(CC)c1C ZINC000067675888 415379363 /nfs/dbraw/zinc/37/93/63/415379363.db2.gz NEOLZFODEAWRHK-OCCSQVGLSA-N 1 0 321.425 0.127 50 0 DCAARO CC[NH+](CC)Cc1cnc2c(C(=O)N(C)CCO)cnn2c1 ZINC000067818384 415383645 /nfs/dbraw/zinc/38/36/45/415383645.db2.gz OSZHVCNOJGCBGQ-UHFFFAOYSA-N 1 0 305.382 0.635 50 0 DCAARO C[N@H+](CCO)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067787467 415386466 /nfs/dbraw/zinc/38/64/66/415386466.db2.gz FNQSZAYZOVEISP-MRXNPFEDSA-N 1 0 310.369 0.603 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(Cl)cc1O ZINC000067688592 415387093 /nfs/dbraw/zinc/38/70/93/415387093.db2.gz CFOWAKMGUXWWFZ-KOLCDFICSA-N 1 0 311.769 0.724 50 0 DCAARO CCN1CCO[C@H](C[NH2+]Cc2ccccc2OCC(=O)NC)C1 ZINC000075133669 415437239 /nfs/dbraw/zinc/43/72/39/415437239.db2.gz JXMFDZSCWKJHAP-OAHLLOKOSA-N 1 0 321.421 0.622 50 0 DCAARO CC[NH+]1CCC(CC(=O)NCCc2nc(N)cc(=O)[nH]2)CC1 ZINC000095356967 415553962 /nfs/dbraw/zinc/55/39/62/415553962.db2.gz SBPIGGVNDLEIPT-UHFFFAOYSA-N 1 0 307.398 0.133 50 0 DCAARO C[S@](=O)c1ncn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000095438962 415557875 /nfs/dbraw/zinc/55/78/75/415557875.db2.gz PJNMZXWRXJMYEX-JLCFBVMHSA-N 1 0 320.418 0.435 50 0 DCAARO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2cccnc2)CC1=O ZINC000095386200 415559905 /nfs/dbraw/zinc/55/99/05/415559905.db2.gz BOIHNRMAYFSTLM-AWEZNQCLSA-N 1 0 304.394 0.150 50 0 DCAARO CC(=O)Nn1c(C)cc(CN2CCN3CC[N@@H+](C)C[C@H]3C2)c1C ZINC000106258562 415640353 /nfs/dbraw/zinc/64/03/53/415640353.db2.gz ZSPIIEBXSOIWKN-KRWDZBQOSA-N 1 0 319.453 0.627 50 0 DCAARO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2c(CO)nc3ccccc32)C[C@H](C)O1 ZINC000106830502 415648987 /nfs/dbraw/zinc/64/89/87/415648987.db2.gz CVRLBQKPQXKUMD-HZSPNIEDSA-N 1 0 319.405 0.999 50 0 DCAARO Cc1ccc(Cn2nc(CC(N)=O)nc2[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000097436826 415589557 /nfs/dbraw/zinc/58/95/57/415589557.db2.gz VAEBVPZIUZGZSH-OLZOCXBDSA-N 1 0 315.377 0.058 50 0 DCAARO CC(=O)Nc1nc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cs1 ZINC000106867961 415653067 /nfs/dbraw/zinc/65/30/67/415653067.db2.gz ITXUHLBNHNDTKD-QWRGUYRKSA-N 1 0 312.439 0.988 50 0 DCAARO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC000109284613 415682797 /nfs/dbraw/zinc/68/27/97/415682797.db2.gz VXOCZCVOZJMPDT-MRXNPFEDSA-N 1 0 320.437 0.882 50 0 DCAARO [NH3+]CCCOc1ccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000299759292 416064358 /nfs/dbraw/zinc/06/43/58/416064358.db2.gz FRKCSJDNJBCVCX-ZDUSSCGKSA-N 1 0 319.361 0.691 50 0 DCAARO O=C(NCc1noc(-c2c(F)cccc2F)n1)[C@H]1C[NH2+]CCO1 ZINC000299758480 416064472 /nfs/dbraw/zinc/06/44/72/416064472.db2.gz NPJUMFRWAVYOKO-SNVBAGLBSA-N 1 0 324.287 0.619 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)nc(N)n2)C1 ZINC000299798935 416070547 /nfs/dbraw/zinc/07/05/47/416070547.db2.gz PLKLADHDSBROMT-LBPRGKRZSA-N 1 0 307.398 0.455 50 0 DCAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1COCCO1 ZINC000299803105 416071778 /nfs/dbraw/zinc/07/17/78/416071778.db2.gz WTPAZKVSKLGBHJ-OAHLLOKOSA-N 1 0 305.378 0.578 50 0 DCAARO CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CC[NH2+]CC2 ZINC000299798965 416072070 /nfs/dbraw/zinc/07/20/70/416072070.db2.gz TZROWZXHNZIOKX-CQSZACIVSA-N 1 0 314.393 0.946 50 0 DCAARO COc1ccnc(N2CCC(C(=O)N3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000179180136 416182455 /nfs/dbraw/zinc/18/24/55/416182455.db2.gz LQURVBCLMAFNEM-LBPRGKRZSA-N 1 0 319.409 0.522 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)C[C@H](C)[NH2+]1 ZINC000179147353 416183234 /nfs/dbraw/zinc/18/32/34/416183234.db2.gz AXEZLHAFZITWRR-PHIMTYICSA-N 1 0 311.407 0.298 50 0 DCAARO C[C@H](C[S@](C)=O)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182577588 416226479 /nfs/dbraw/zinc/22/64/79/416226479.db2.gz CONYBARYDKXEFT-IZDJOXEWSA-N 1 0 301.456 0.881 50 0 DCAARO Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CCO2)c1 ZINC000253431535 416334814 /nfs/dbraw/zinc/33/48/14/416334814.db2.gz SCVGFEUMJKXJJF-QLFBSQMISA-N 1 0 306.410 0.617 50 0 DCAARO CCn1cc(C(=O)NCC[C@@H](C)[NH+]2CCN(C)CC2)c(C)n1 ZINC000216158504 416327366 /nfs/dbraw/zinc/32/73/66/416327366.db2.gz KSGARQOEVUCBIJ-CYBMUJFWSA-N 1 0 307.442 0.967 50 0 DCAARO Cc1cnn(C[C@H](C)[NH2+][C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000229550856 416328083 /nfs/dbraw/zinc/32/80/83/416328083.db2.gz JWLJNFAQGLSRSI-MELADBBJSA-N 1 0 321.425 0.282 50 0 DCAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000237420515 416328364 /nfs/dbraw/zinc/32/83/64/416328364.db2.gz RNCIGAGBPHZCAB-AVGNSLFASA-N 1 0 317.455 0.386 50 0 DCAARO COCC[NH2+]CC(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000237142444 416328463 /nfs/dbraw/zinc/32/84/63/416328463.db2.gz NJAIGBXHLBLLFZ-AWEZNQCLSA-N 1 0 323.368 0.625 50 0 DCAARO Nc1ncc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000238056790 416329743 /nfs/dbraw/zinc/32/97/43/416329743.db2.gz LMDMYZBOURKNBC-MRVPVSSYSA-N 1 0 304.803 0.595 50 0 DCAARO O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238090839 416329838 /nfs/dbraw/zinc/32/98/38/416329838.db2.gz SROCEUXGROCTFR-VHSXEESVSA-N 1 0 319.283 0.362 50 0 DCAARO Nc1ncc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000238056852 416329888 /nfs/dbraw/zinc/32/98/88/416329888.db2.gz LMDMYZBOURKNBC-QMMMGPOBSA-N 1 0 304.803 0.595 50 0 DCAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000240569416 416329936 /nfs/dbraw/zinc/32/99/36/416329936.db2.gz HAMFXDSPAHDYNK-RYUDHWBXSA-N 1 0 323.359 0.538 50 0 DCAARO CN1CC[C@H]([N@H+](C)CCC(=O)NCC2(Cn3cccn3)CC2)C1 ZINC000244646923 416330995 /nfs/dbraw/zinc/33/09/95/416330995.db2.gz GRTWKZHHZJUYNG-HNNXBMFYSA-N 1 0 319.453 0.806 50 0 DCAARO O=C(Cn1ccccc1=O)N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244774016 416331193 /nfs/dbraw/zinc/33/11/93/416331193.db2.gz PMOXXGLVTDGCHJ-CKEIUWERSA-N 1 0 319.405 0.104 50 0 DCAARO C[C@@H](CCNC(=O)c1[nH]nc(N)c1Cl)[NH+]1CCN(C)CC1 ZINC000534634530 416505675 /nfs/dbraw/zinc/50/56/75/416505675.db2.gz WVIPPGPASVPUEI-VIFPVBQESA-N 1 0 314.821 0.401 50 0 DCAARO CCOC(=O)C[C@](C)([NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC000521393963 417005630 /nfs/dbraw/zinc/00/56/30/417005630.db2.gz CMVSLHFNCPXFRR-HNNXBMFYSA-N 1 0 307.350 0.640 50 0 DCAARO Cc1nc(CN2CCN(C(=O)[C@]3(O)CCC[NH2+]C3)CC2)oc1C ZINC000662718272 417869611 /nfs/dbraw/zinc/86/96/11/417869611.db2.gz WUVIVTOVZOXLDM-INIZCTEOSA-N 1 0 322.409 0.050 50 0 DCAARO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299753731 229397412 /nfs/dbraw/zinc/39/74/12/229397412.db2.gz ZDUUSKXYNVJILK-UWJYBYFXSA-N 1 0 319.188 0.866 50 0 DCAARO O=C(C[C@H]1CC[NH2+]C1)NCCn1ncc2ccccc2c1=O ZINC000299777037 229428172 /nfs/dbraw/zinc/42/81/72/229428172.db2.gz HWCGSXRKWYTIIV-GFCCVEGCSA-N 1 0 300.362 0.512 50 0 DCAARO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1c(C)cnn1C ZINC000420440344 271369142 /nfs/dbraw/zinc/36/91/42/271369142.db2.gz BZSNTDLHILHPPL-UHFFFAOYSA-N 1 0 300.428 0.881 50 0 DCAARO CN1c2ccc(S(=O)(=O)NCC[NH3+])c3cccc(c23)C1=O ZINC000095996578 277216630 /nfs/dbraw/zinc/21/66/30/277216630.db2.gz QCJWNOBFTJKMCN-UHFFFAOYSA-N 1 0 305.359 0.667 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248500731 279313757 /nfs/dbraw/zinc/31/37/57/279313757.db2.gz VEKMBMPOUMPJTB-QWHCGFSZSA-N 1 0 317.455 0.259 50 0 DCAARO CC[NH+]1CCN([C@H](C)CNC(=O)Nc2cc(C)nn2C)CC1 ZINC000043432488 279369999 /nfs/dbraw/zinc/36/99/99/279369999.db2.gz NNFVTGRCAUSPEK-CYBMUJFWSA-N 1 0 308.430 0.876 50 0 DCAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000067695324 290267753 /nfs/dbraw/zinc/26/77/53/290267753.db2.gz ODSSKMQOTYTSCG-GJZGRUSLSA-N 1 0 324.469 0.169 50 0 DCAARO COC[C@@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(C3CCC3)C2)CC1 ZINC000091656438 292816770 /nfs/dbraw/zinc/81/67/70/292816770.db2.gz KGERTPBVCPYDBK-CQSZACIVSA-N 1 0 323.437 0.744 50 0 DCAARO Cn1cc(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2=O)cn1 ZINC000237692650 294250304 /nfs/dbraw/zinc/25/03/04/294250304.db2.gz XYOWXAVLEVWYQS-NWDGAFQWSA-N 1 0 305.382 0.113 50 0 DCAARO Cc1cc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)on1 ZINC000188110734 301277460 /nfs/dbraw/zinc/27/74/60/301277460.db2.gz ABBBSVBSOGFYSQ-GFCCVEGCSA-N 1 0 310.398 0.970 50 0 DCAARO NS(=O)(=O)c1cnc(N2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000058306283 331797087 /nfs/dbraw/zinc/79/70/87/331797087.db2.gz LQAXWWQTRDMUGX-VIFPVBQESA-N 1 0 302.425 0.465 50 0 DCAARO O=C(Cc1nc2cc(Cl)ccc2[nH]1)NC[C@@H]1C[NH2+]CCO1 ZINC000534575952 334287679 /nfs/dbraw/zinc/28/76/79/334287679.db2.gz HOFCMJCZOZGJDQ-JTQLQIEISA-N 1 0 308.769 0.863 50 0 DCAARO CC[NH+]1CCN(CC(=O)N[C@H](COC)c2ccccn2)CC1 ZINC000534591394 334294285 /nfs/dbraw/zinc/29/42/85/334294285.db2.gz UCJWAFKUGPUWCD-OAHLLOKOSA-N 1 0 306.410 0.523 50 0 DCAARO COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]([NH3+])[C@H](O)C1 ZINC000534650575 334311544 /nfs/dbraw/zinc/31/15/44/334311544.db2.gz NIOXCUFRWHEOLL-RKDXNWHRSA-N 1 0 306.771 0.041 50 0 DCAARO Cc1ccccc1OC[C@@H](O)C(=O)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534660465 334313395 /nfs/dbraw/zinc/31/33/95/334313395.db2.gz AESWEUQPVJNOOP-DGADGQDISA-N 1 0 316.401 0.944 50 0 DCAARO COc1cccc(S(=O)(=O)NC[C@]2(O)CCC[NH2+]C2)c1 ZINC000534674654 334322032 /nfs/dbraw/zinc/32/20/32/334322032.db2.gz WGRIWCAPRGKVHX-ZDUSSCGKSA-N 1 0 300.380 0.088 50 0 DCAARO Cn1c(SCc2noc(C(N)=O)n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000534663470 334323221 /nfs/dbraw/zinc/32/32/21/334323221.db2.gz IQRGXLSKPYJJLG-SSDOTTSWSA-N 1 0 323.382 0.056 50 0 DCAARO [NH3+]C1CCN(S(=O)(=O)CCOc2ccccc2F)CC1 ZINC000534676041 334326840 /nfs/dbraw/zinc/32/68/40/334326840.db2.gz WZLCITGOYSJTGD-UHFFFAOYSA-N 1 0 302.371 0.957 50 0 DCAARO CNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]2C[NH2+]C)c1 ZINC000237255386 522087003 /nfs/dbraw/zinc/08/70/03/522087003.db2.gz PYLSSZWGFUAFKQ-SECBINFHSA-N 1 0 317.436 0.480 50 0 DCAARO CC[NH+](CC)CCN1CCN(C(=O)c2csc(N)n2)CC1 ZINC000299779565 528126674 /nfs/dbraw/zinc/12/66/74/528126674.db2.gz HZVKMVGRZRKEEL-UHFFFAOYSA-N 1 0 311.455 0.825 50 0 DCAARO C[N@H+](CCCO)C1CCN(CC(=O)Nc2cccnc2)CC1 ZINC000083860833 545698592 /nfs/dbraw/zinc/69/85/92/545698592.db2.gz BYHTZQYZVHGLFB-UHFFFAOYSA-N 1 0 306.410 0.799 50 0 DCAARO CC[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1[NH+](C)C ZINC000084735521 545702669 /nfs/dbraw/zinc/70/26/69/545702669.db2.gz ZPJLDBKTIZFZKH-VXGBXAGGSA-N 1 0 310.398 0.117 50 0 DCAARO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(-n2cnnn2)cc1 ZINC000090466442 545716775 /nfs/dbraw/zinc/71/67/75/545716775.db2.gz YPUGAJXNCXJVRY-RISCZKNCSA-N 1 0 321.406 0.890 50 0 DCAARO Nc1n[nH]c(CCNC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000218787195 545940181 /nfs/dbraw/zinc/94/01/81/545940181.db2.gz IUKBQMQBFOLVNZ-ZDUSSCGKSA-N 1 0 314.393 0.535 50 0 DCAARO CSCC[C@H](NC(C)=O)C(=O)N1C[C@H]2[C@H](C[NH+](C)C)[C@H]2C1 ZINC000670438610 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Cc1cc(=O)cc(C(=O)NCC2([NH+](C)C)CCN(C)CC2)[nH]1 ZINC000426620023 661664107 /nfs/dbraw/zinc/66/41/07/661664107.db2.gz KNJYQDPQFNOLEM-UHFFFAOYSA-N 1 0 306.410 0.439 50 0 DCAARO C[NH+](C)[C@H]1CCN(CC(=O)NCCCOc2cccnc2)C1 ZINC000299785407 662684270 /nfs/dbraw/zinc/68/42/70/662684270.db2.gz ZBJBILDIRGFUAM-AWEZNQCLSA-N 1 0 306.410 0.603 50 0 DCAARO COc1cccc(-c2n[nH]c3c2C[N@H+](C[C@H](O)CO)CC3)c1 ZINC000012315631 666439977 /nfs/dbraw/zinc/43/99/77/666439977.db2.gz KDERRSRWCUSVKN-LBPRGKRZSA-N 1 0 303.362 0.797 50 0 DCAARO C[NH+](C)[C@@H]1CCCN(CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000109807143 668140211 /nfs/dbraw/zinc/14/02/11/668140211.db2.gz GOOOHOXIXZQZLQ-CYBMUJFWSA-N 1 0 316.405 0.998 50 0 DCAARO C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC001772709336 1157847570 /nfs/dbraw/zinc/84/75/70/1157847570.db2.gz OLVRRVFGUMNCST-NJZAAPMLSA-N 1 0 317.389 0.484 50 0 DCAARO Cc1nncn1CC[N@@H+]1CCCN(C(=O)[C@H]2CCOC2)CC1 ZINC001772711476 1157848728 /nfs/dbraw/zinc/84/87/28/1157848728.db2.gz ZEYPELJQXDAYLK-AWEZNQCLSA-N 1 0 307.398 0.157 50 0 DCAARO O=c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)NC3=O)[nH]c2ccccc12 ZINC001704314045 1179969540 /nfs/dbraw/zinc/96/95/40/1179969540.db2.gz VZWNYHZSDCMQPQ-YPMHNXCESA-N 1 0 313.357 0.475 50 0 DCAARO Cn1cncc1C[NH+]1CCC(CNC(=O)Cn2cccn2)CC1 ZINC000827861431 758894382 /nfs/dbraw/zinc/89/43/82/758894382.db2.gz IDUSGOMVZSVEQA-UHFFFAOYSA-N 1 0 316.409 0.645 50 0 DCAARO CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CC(OC)OC)C2)ccn1 ZINC000585116074 766285085 /nfs/dbraw/zinc/28/50/85/766285085.db2.gz GLFMTRPUVSKZAM-CYBMUJFWSA-N 1 0 323.393 0.903 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CCn1cccn1 ZINC000585139110 766294564 /nfs/dbraw/zinc/29/45/64/766294564.db2.gz JLNZLRIMMBCKHB-ZDUSSCGKSA-N 1 0 300.428 0.629 50 0 DCAARO CN(C)[S@@](C)(=O)=NS(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000952878850 768942162 /nfs/dbraw/zinc/94/21/62/768942162.db2.gz JXKDJPQUOBHVQZ-WYRIXSBYSA-N 1 0 320.440 0.095 50 0 DCAARO Cc1ccc(C[N@H+]2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)s1 ZINC001529154079 1014508565 /nfs/dbraw/zinc/50/85/65/1014508565.db2.gz GVBBODCTFUKYSS-WCQYABFASA-N 1 0 318.464 0.741 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CN(C)c2cncc(C(=O)N(C)C)n2)C1 ZINC001506402410 1017254757 /nfs/dbraw/zinc/25/47/57/1017254757.db2.gz OQYKAMUDJLNRLU-ZDUSSCGKSA-N 1 0 321.425 0.583 50 0 DCAARO Cn1ccnc1-c1ccc(N2CCOC[C@H](C[NH+](C)C)C2)nn1 ZINC001506416066 1017263644 /nfs/dbraw/zinc/26/36/44/1017263644.db2.gz STWHCJSLLLCCRJ-CYBMUJFWSA-N 1 0 316.409 0.892 50 0 DCAARO O=C1C[C@@]2(CC[N@H+](Cc3ccc4nsnc4c3)C2)C(=O)N1 ZINC000082106324 192357056 /nfs/dbraw/zinc/35/70/56/192357056.db2.gz CLQWDONNOPOLSU-CQSZACIVSA-N 1 0 302.359 0.930 50 0 DCAARO CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)C[NH3+])CC1 ZINC000082146914 192362488 /nfs/dbraw/zinc/36/24/88/192362488.db2.gz NAQXROQBNUVYAE-UHFFFAOYSA-N 1 0 320.441 0.559 50 0 DCAARO CNC(=O)CC1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000331009156 529846326 /nfs/dbraw/zinc/84/63/26/529846326.db2.gz RDVWLNVYQCCKJA-UHFFFAOYSA-N 1 0 305.444 0.116 50 0 DCAARO COCCOc1cccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)c1 ZINC000225567118 201731825 /nfs/dbraw/zinc/73/18/25/201731825.db2.gz WTXVCYCRZCTPJM-CYBMUJFWSA-N 1 0 307.350 0.432 50 0 DCAARO C[NH2+]CCNC[C@@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067821418 190725441 /nfs/dbraw/zinc/72/54/41/190725441.db2.gz WRLJBUWFAOJETE-KRWDZBQOSA-N 1 0 305.422 0.392 50 0 DCAARO CCCn1ccnc1CN1CC[NH2+][C@H](C(=O)N2CCCC2)C1 ZINC000072138763 191048193 /nfs/dbraw/zinc/04/81/93/191048193.db2.gz KRYMLXBKOLAFSJ-AWEZNQCLSA-N 1 0 305.426 0.689 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCN(Cc2ccccn2)CC1 ZINC000072122368 191039685 /nfs/dbraw/zinc/03/96/85/191039685.db2.gz OUNGNZHYEFRUAP-OAHLLOKOSA-N 1 0 304.394 0.104 50 0 DCAARO O=C(NCc1csc(-c2cnccn2)n1)[C@H]1C[NH2+]CCO1 ZINC000072150857 191055712 /nfs/dbraw/zinc/05/57/12/191055712.db2.gz RGKAQKAJCIPXGE-LLVKDONJSA-N 1 0 305.363 0.205 50 0 DCAARO O=C(CCn1cnnc1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072151986 191057105 /nfs/dbraw/zinc/05/71/05/191057105.db2.gz NZZXHHYBVISWGE-CQSZACIVSA-N 1 0 307.398 0.116 50 0 DCAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCn2ccccc2=O)CC1 ZINC000072162401 191063111 /nfs/dbraw/zinc/06/31/11/191063111.db2.gz WMEKRYITNTWYQF-KRWDZBQOSA-N 1 0 321.421 0.544 50 0 DCAARO Cn1cnnc1-c1ccc(NC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000072172944 191068894 /nfs/dbraw/zinc/06/88/94/191068894.db2.gz USOKCYSFLWTACJ-ZDUSSCGKSA-N 1 0 301.350 0.799 50 0 DCAARO C[NH+](C)CC(=O)N1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000072270840 191094488 /nfs/dbraw/zinc/09/44/88/191094488.db2.gz VWBZRHNCPGRJNQ-OAHLLOKOSA-N 1 0 309.385 0.565 50 0 DCAARO CN(C)Cc1nnc([C@@H]2CCCN(C3CC[NH2+]CC3)C2)n1C ZINC000072409876 191153693 /nfs/dbraw/zinc/15/36/93/191153693.db2.gz ITJKWRMSPORZHK-CYBMUJFWSA-N 1 0 306.458 0.808 50 0 DCAARO [NH3+]CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000072418616 191157068 /nfs/dbraw/zinc/15/70/68/191157068.db2.gz WRJFCHFSBSQAEL-KRWDZBQOSA-N 1 0 316.405 0.772 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCN(c2nc3c(cc2C(N)=O)CCC3)C1 ZINC000072422657 191158499 /nfs/dbraw/zinc/15/84/99/191158499.db2.gz CKZGZMVEWHJLKZ-INIZCTEOSA-N 1 0 304.394 0.172 50 0 DCAARO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000072424335 191160513 /nfs/dbraw/zinc/16/05/13/191160513.db2.gz JOLDJDHSWNWUON-CYBMUJFWSA-N 1 0 320.441 0.466 50 0 DCAARO O[C@@]1(CN2CCN(CCc3ccccn3)CC2)CCC[NH2+]C1 ZINC000072431023 191162591 /nfs/dbraw/zinc/16/25/91/191162591.db2.gz HMFAJWQIVSBUEF-KRWDZBQOSA-N 1 0 304.438 0.356 50 0 DCAARO CCC[NH+]1CCC(N2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000004703362 181139964 /nfs/dbraw/zinc/13/99/64/181139964.db2.gz FYIJVCQDBULOTD-UHFFFAOYSA-N 1 0 303.472 0.828 50 0 DCAARO Cn1nc(C(=O)NCCC[NH+]2Cc3ccccc3C2)ccc1=O ZINC000073470610 191319047 /nfs/dbraw/zinc/31/90/47/191319047.db2.gz MVMBDRJTCWBMJB-UHFFFAOYSA-N 1 0 312.373 0.916 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnn2c1CCCC2 ZINC000077408336 191711490 /nfs/dbraw/zinc/71/14/90/191711490.db2.gz IUMYLZLUFZIZSC-RISCZKNCSA-N 1 0 319.409 0.286 50 0 DCAARO OCC[NH+](CCO)C[C@H](O)COCc1ccccc1Cl ZINC000005771228 181282071 /nfs/dbraw/zinc/28/20/71/181282071.db2.gz MTHMZXBQXIZZRV-ZDUSSCGKSA-N 1 0 303.786 0.504 50 0 DCAARO CCc1nsc(N2CCN(C(=O)[C@H]3CCC[C@H]3[NH3+])CC2)n1 ZINC000237082723 202146021 /nfs/dbraw/zinc/14/60/21/202146021.db2.gz NTKINNUHEQGRSO-WDEREUQCSA-N 1 0 309.439 0.877 50 0 DCAARO CN(C(=O)CCn1cnc2ccccc2c1=O)[C@H]1CC[NH2+]C1 ZINC000179090177 198981940 /nfs/dbraw/zinc/98/19/40/198981940.db2.gz JVKLYMAYYBXWHH-LBPRGKRZSA-N 1 0 300.362 0.607 50 0 DCAARO Cn1c(CCNC(=O)[C@H]2C[NH2+]CCO2)nc2ccc(F)cc21 ZINC000188197840 200207463 /nfs/dbraw/zinc/20/74/63/200207463.db2.gz XOJUCKPISGXGRP-CYBMUJFWSA-N 1 0 306.341 0.360 50 0 DCAARO C[C@H]1CN(S(=O)(=O)N(C)C2CCC([NH3+])CC2)[C@@H](C)CO1 ZINC000237690952 202328640 /nfs/dbraw/zinc/32/86/40/202328640.db2.gz KWKZDPWIWPGWPK-ZSVAQUKISA-N 1 0 305.444 0.542 50 0 DCAARO Cc1cc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)nc(C)n1 ZINC000237787893 202353869 /nfs/dbraw/zinc/35/38/69/202353869.db2.gz PBOCPZAYCQEYAY-KGLIPLIRSA-N 1 0 303.410 0.869 50 0 DCAARO CC[N@H+](CCO)C[C@H](O)COCc1ccc(OC)c(OC)c1 ZINC000006605249 181360051 /nfs/dbraw/zinc/36/00/51/181360051.db2.gz FYGXAEXGQKRFQJ-AWEZNQCLSA-N 1 0 313.394 0.896 50 0 DCAARO CCn1ccnc1C1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000091435267 193055045 /nfs/dbraw/zinc/05/50/45/193055045.db2.gz JCIYYLUTARXVJS-UHFFFAOYSA-N 1 0 306.410 0.941 50 0 DCAARO CCc1cc(N2C[C@H]([NH3+])C[C@H]2C(=O)NC)nc(N2CCCC2)n1 ZINC000091441528 193055743 /nfs/dbraw/zinc/05/57/43/193055743.db2.gz YRHFUGJNCWOPSG-YPMHNXCESA-N 1 0 318.425 0.291 50 0 DCAARO Cc1cc(C)c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)c(=O)[nH]1 ZINC000091643998 193083767 /nfs/dbraw/zinc/08/37/67/193083767.db2.gz ABYAHTONFCLMGV-KRWDZBQOSA-N 1 0 321.421 0.911 50 0 DCAARO Cn1nnc2c1cccc2S(=O)(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091645773 193084922 /nfs/dbraw/zinc/08/49/22/193084922.db2.gz MPNDBBUZAYVFLX-MNOVXSKESA-N 1 0 321.406 0.326 50 0 DCAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccccn2)C1 ZINC000091712980 193095703 /nfs/dbraw/zinc/09/57/03/193095703.db2.gz HYLFNEQGYXHQGG-CABCVRRESA-N 1 0 321.421 0.730 50 0 DCAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1CO ZINC000091746606 193101342 /nfs/dbraw/zinc/10/13/42/193101342.db2.gz ALUOEHRUVANCDN-ZIAGYGMSSA-N 1 0 310.369 0.430 50 0 DCAARO Cc1ccnn1CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091943644 193129613 /nfs/dbraw/zinc/12/96/13/193129613.db2.gz FPWNWCGLULNWNP-HZPDHXFCSA-N 1 0 320.437 0.744 50 0 DCAARO CN1CCN(C(=O)C[N@@H+]2CCC[C@@](CO)(CC3CC3)C2)CC1 ZINC000091966571 193134096 /nfs/dbraw/zinc/13/40/96/193134096.db2.gz GQQCPROLXJLGMA-QGZVFWFLSA-N 1 0 309.454 0.635 50 0 DCAARO Cc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1N1CCNC1=O ZINC000092038615 193145036 /nfs/dbraw/zinc/14/50/36/193145036.db2.gz GIVSICOPKWJFKY-DZGCQCFKSA-N 1 0 314.389 0.959 50 0 DCAARO COc1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000019772580 182145064 /nfs/dbraw/zinc/14/50/64/182145064.db2.gz BGWJFCJYYMKETM-LLVKDONJSA-N 1 0 315.391 0.989 50 0 DCAARO Cn1c2ccc(C[NH2+]CCN3CCOCC3)cc2n(C)c1=O ZINC000020059860 182184322 /nfs/dbraw/zinc/18/43/22/182184322.db2.gz HXTAEICWENAHHH-UHFFFAOYSA-N 1 0 304.394 0.299 50 0 DCAARO C[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000022998999 182344413 /nfs/dbraw/zinc/34/44/13/182344413.db2.gz ZUWOFUFHLJIOLK-UHFFFAOYSA-N 1 0 307.369 0.900 50 0 DCAARO CCOC(=O)CCNC(=O)N1CCO[C@H](CC[NH+](C)C)C1 ZINC000039413235 183018704 /nfs/dbraw/zinc/01/87/04/183018704.db2.gz CJYHGJBTVCVQER-GFCCVEGCSA-N 1 0 301.387 0.302 50 0 DCAARO Cc1nnc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000043408280 183359940 /nfs/dbraw/zinc/35/99/40/183359940.db2.gz JCGMMDWYEPSPHN-UHFFFAOYSA-N 1 0 312.443 0.994 50 0 DCAARO Cc1nc(C)c(CCC(=O)N(C)C[C@H]2CC[N@H+](C)C2)c(=O)[nH]1 ZINC000104499358 194012027 /nfs/dbraw/zinc/01/20/27/194012027.db2.gz QYMJUMVXGUWQNE-ZDUSSCGKSA-N 1 0 306.410 0.729 50 0 DCAARO CCN(CC)S(=O)(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000048250997 183632083 /nfs/dbraw/zinc/63/20/83/183632083.db2.gz GVIKTDBCMOIFEO-AWEZNQCLSA-N 1 0 319.471 0.760 50 0 DCAARO O=C(NCC[NH+]1CCCC1)Nc1ccc(-n2cncn2)nc1 ZINC000058023871 184069232 /nfs/dbraw/zinc/06/92/32/184069232.db2.gz AWHFRRAEERVNGC-UHFFFAOYSA-N 1 0 301.354 0.880 50 0 DCAARO O[C@H](Cn1cccn1)CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000058379212 184110964 /nfs/dbraw/zinc/11/09/64/184110964.db2.gz WWBRNCNPONQIDQ-HOTGVXAUSA-N 1 0 308.426 0.431 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)NCc2nnc3n2CCC3)CC1 ZINC000065423381 184342057 /nfs/dbraw/zinc/34/20/57/184342057.db2.gz FPAWDXAGGLDTKX-UHFFFAOYSA-N 1 0 322.413 0.088 50 0 DCAARO Cn1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1=O ZINC000065475340 184352171 /nfs/dbraw/zinc/35/21/71/184352171.db2.gz TVAAJRMAGLHLRF-UHFFFAOYSA-N 1 0 316.405 0.954 50 0 DCAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000065552891 184365230 /nfs/dbraw/zinc/36/52/30/184365230.db2.gz JHOXQKWTBXHNRH-ZDUSSCGKSA-N 1 0 304.398 0.497 50 0 DCAARO CO[C@H](C[NH3+])CC(=O)N1CCCN(c2nc(C)ns2)CC1 ZINC000328588664 533149008 /nfs/dbraw/zinc/14/90/08/533149008.db2.gz UUKHLYDIDITJCS-NSHDSACASA-N 1 0 313.427 0.249 50 0 DCAARO Cc1c(CNC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cnn1C ZINC000426689816 257244646 /nfs/dbraw/zinc/24/46/46/257244646.db2.gz DRDNAVYIFLLHFQ-HNNXBMFYSA-N 1 0 309.414 0.327 50 0 DCAARO C[N@@H+]1CCCC[C@H]1CC(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426550711 257247038 /nfs/dbraw/zinc/24/70/38/257247038.db2.gz YYMPZIVGBANGEH-NSHDSACASA-N 1 0 315.381 0.752 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000426531058 257247869 /nfs/dbraw/zinc/24/78/69/257247869.db2.gz WBQBBLZPVAUIJU-GFCCVEGCSA-N 1 0 319.365 0.070 50 0 DCAARO Cc1cnc(CNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)cn1 ZINC000426380343 257252086 /nfs/dbraw/zinc/25/20/86/257252086.db2.gz HHRZKWXVLLPBAN-ZDUSSCGKSA-N 1 0 314.393 0.765 50 0 DCAARO C[C@H](C(=O)NCc1ccco1)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000252474408 257258752 /nfs/dbraw/zinc/25/87/52/257258752.db2.gz CVIQYEOAPLGENH-HZSPNIEDSA-N 1 0 309.410 0.671 50 0 DCAARO NC(=O)c1c(N)[n+](=O)c2cc(N3CCOCC3)c(F)cc2n1O ZINC000334157417 257261954 /nfs/dbraw/zinc/26/19/54/257261954.db2.gz DHEBLPKDDOGIQX-UHFFFAOYSA-O 1 0 324.292 0.234 50 0 DCAARO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccnn3CC(F)F)[C@@H]2C1 ZINC000285645317 131189888 /nfs/dbraw/zinc/18/98/88/131189888.db2.gz FPOHVOXPVDCJRJ-VXGBXAGGSA-N 1 0 314.336 0.693 50 0 DCAARO COc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCC(N)=O ZINC000008535052 395684735 /nfs/dbraw/zinc/68/47/35/395684735.db2.gz MFCYCODSWAGKKS-MRVPVSSYSA-N 1 0 302.758 0.683 50 0 DCAARO O=C(C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1)N1CCCO1 ZINC000011841351 395686877 /nfs/dbraw/zinc/68/68/77/395686877.db2.gz VXXDYTQTAQOPFR-CQSZACIVSA-N 1 0 309.410 0.921 50 0 DCAARO COC(=O)CCC(=O)N1CCC[C@@H](N(C)CCC[NH+](C)C)C1 ZINC000012443767 395687562 /nfs/dbraw/zinc/68/75/62/395687562.db2.gz WHCCQFYXACSTCJ-CQSZACIVSA-N 1 0 313.442 0.814 50 0 DCAARO O=S1(=O)C[C@H](O)[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000013732928 395688953 /nfs/dbraw/zinc/68/89/53/395688953.db2.gz ADFGMMYADXUAPZ-CVEARBPZSA-N 1 0 324.446 0.399 50 0 DCAARO OCC[NH+](CCO)C[C@@H](O)COc1cccc2ccccc21 ZINC000001820517 395681130 /nfs/dbraw/zinc/68/11/30/395681130.db2.gz TYFJDFBCOQPBHQ-OAHLLOKOSA-N 1 0 305.374 0.866 50 0 DCAARO Cc1ccccc1OCC(=O)N1CCOC[C@@H]1C[N@H+](C)CCO ZINC000085469960 395700909 /nfs/dbraw/zinc/70/09/09/395700909.db2.gz CLWWDNJCQAHIRR-HNNXBMFYSA-N 1 0 322.405 0.525 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000089414166 395711225 /nfs/dbraw/zinc/71/12/25/395711225.db2.gz HQWXKJOKAPBEPG-CQSZACIVSA-N 1 0 323.437 0.472 50 0 DCAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CNC(=O)N1 ZINC000089794424 395715425 /nfs/dbraw/zinc/71/54/25/395715425.db2.gz XVPPRSQTKUINDN-RYUDHWBXSA-N 1 0 306.366 0.604 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)Cn2cccn2)C1 ZINC000089840198 395715984 /nfs/dbraw/zinc/71/59/84/395715984.db2.gz MITDBDPRNMGZKN-GJZGRUSLSA-N 1 0 323.441 0.928 50 0 DCAARO O=C(NCc1cc(F)ccc1Br)[C@H]1C[C@H](O)C[NH2+]1 ZINC000038039483 395730886 /nfs/dbraw/zinc/73/08/86/395730886.db2.gz MBZFJPBBFNLXFS-GXSJLCMTSA-N 1 0 317.158 0.927 50 0 DCAARO C[C@@]1(O)CC[N@H+](CCC(=O)NCc2ccc(F)cc2)C[C@@H]1O ZINC000096164563 395746597 /nfs/dbraw/zinc/74/65/97/395746597.db2.gz JAIZIUUXRKWICW-GOEBONIOSA-N 1 0 310.369 0.650 50 0 DCAARO COCc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000096153399 395746711 /nfs/dbraw/zinc/74/67/11/395746711.db2.gz HOXRFTATDLEINS-LLVKDONJSA-N 1 0 309.366 0.353 50 0 DCAARO Cc1c(C(=O)NCC(C)(C)NS(C)(=O)=O)ccc2c[nH+]cn21 ZINC000095993640 395740854 /nfs/dbraw/zinc/74/08/54/395740854.db2.gz RZQQNEKAXKXVBF-UHFFFAOYSA-N 1 0 324.406 0.700 50 0 DCAARO C[C@@H](CC(=O)NCC(C)(C)S(C)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC000096476276 395753846 /nfs/dbraw/zinc/75/38/46/395753846.db2.gz ACPOMFUHWRKEMR-RYUDHWBXSA-N 1 0 304.456 0.952 50 0 DCAARO Cn1cc(N2CC[C@H]([NH2+][C@@H](CO)c3ccccc3)C2=O)cn1 ZINC000097081905 395755064 /nfs/dbraw/zinc/75/50/64/395755064.db2.gz MUKGMNKPBMBGKP-GJZGRUSLSA-N 1 0 300.362 0.849 50 0 DCAARO CC[NH+](CC)CCN1CCN(C(=O)c2cc[nH]c2)C[C@H](O)C1 ZINC000097784700 395760762 /nfs/dbraw/zinc/76/07/62/395760762.db2.gz KFKAOASFERVERK-OAHLLOKOSA-N 1 0 308.426 0.475 50 0 DCAARO Cc1ccc2nc(C(=O)NCCN3CC[NH+](C)CC3)cn2c1 ZINC000097939168 395761444 /nfs/dbraw/zinc/76/14/44/395761444.db2.gz HNDXIEHHVUIJCU-UHFFFAOYSA-N 1 0 301.394 0.620 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000048303814 395813438 /nfs/dbraw/zinc/81/34/38/395813438.db2.gz SWPURSLAKUHJLA-GFCCVEGCSA-N 1 0 302.382 0.955 50 0 DCAARO Cn1cc(C[NH2+]CCCNS(C)(=O)=O)c(-c2ccncc2)n1 ZINC000051187374 395848305 /nfs/dbraw/zinc/84/83/05/395848305.db2.gz GRLJSUQZNCRDIA-UHFFFAOYSA-N 1 0 323.422 0.511 50 0 DCAARO Cc1nccn1CCN(C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000220403160 395848808 /nfs/dbraw/zinc/84/88/08/395848808.db2.gz WIIBPEZHBSOSFT-UHFFFAOYSA-N 1 0 301.398 0.905 50 0 DCAARO CCOCCn1nc(C)cc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000221204755 395850363 /nfs/dbraw/zinc/85/03/63/395850363.db2.gz RGWVKUOEQVPFKS-CQSZACIVSA-N 1 0 323.441 0.204 50 0 DCAARO Nc1nc(NCCSc2c[nH]nn2)cc(C2CC([NH3+])C2)n1 ZINC000223709270 395856497 /nfs/dbraw/zinc/85/64/97/395856497.db2.gz OASGLTCYYDUTQB-UHFFFAOYSA-N 1 0 306.399 0.586 50 0 DCAARO c1cc(-c2noc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)n2)ccn1 ZINC000244899421 395925951 /nfs/dbraw/zinc/92/59/51/395925951.db2.gz ZJQVXCFOLNDBRT-CQSZACIVSA-N 1 0 314.393 0.611 50 0 DCAARO C[C@H]1CCCN(C(=O)C[NH+]2CCC(c3nc(=N)n(C)[nH]3)CC2)C1 ZINC000225519472 395861565 /nfs/dbraw/zinc/86/15/65/395861565.db2.gz OFJBSEPWAVFBHE-LBPRGKRZSA-N 1 0 320.441 0.666 50 0 DCAARO Cn1ncc2c1nc(CN1CC[NH+](C3CCCC3)CC1)[nH]c2=O ZINC000052827439 395870543 /nfs/dbraw/zinc/87/05/43/395870543.db2.gz QCQHXNDXHBUJOA-UHFFFAOYSA-N 1 0 316.409 0.717 50 0 DCAARO CC1CC[NH+](C[C@@H](O)CN2CCO[C@@H](Cn3cncn3)C2)CC1 ZINC000229554793 395875980 /nfs/dbraw/zinc/87/59/80/395875980.db2.gz BRJWQOTUAZYODE-HZPDHXFCSA-N 1 0 323.441 0.072 50 0 DCAARO CC(C)CO[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229794536 395876344 /nfs/dbraw/zinc/87/63/44/395876344.db2.gz DODXLEWPTBIEOH-ZIAGYGMSSA-N 1 0 313.442 0.751 50 0 DCAARO CC[N@@H+]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CCOCC(F)F ZINC000252510190 396022535 /nfs/dbraw/zinc/02/25/35/396022535.db2.gz ZDIYFXSVQWQYBN-NEPJUHHUSA-N 1 0 306.353 0.980 50 0 DCAARO COC[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1C(=O)NC1CC1 ZINC000253410231 396027141 /nfs/dbraw/zinc/02/71/41/396027141.db2.gz NAILSRLJYWOAHS-DZGCQCFKSA-N 1 0 306.410 0.702 50 0 DCAARO Cc1ccc(O)c(C(=O)NC[C@H]2CCC[N@@H+](C(CO)CO)C2)c1 ZINC000067589069 396028463 /nfs/dbraw/zinc/02/84/63/396028463.db2.gz HQNBMJNVBPHIFE-CYBMUJFWSA-N 1 0 322.405 0.496 50 0 DCAARO CCC1(CC)NC(=O)N(CC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1=O ZINC000154002364 396028869 /nfs/dbraw/zinc/02/88/69/396028869.db2.gz HREWKJIGBZPDOD-GHMZBOCLSA-N 1 0 310.398 0.306 50 0 DCAARO C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1c1ccccc1 ZINC000253429236 396029023 /nfs/dbraw/zinc/02/90/23/396029023.db2.gz CFAJEATXCGMQMR-WMLDXEAASA-N 1 0 317.389 0.407 50 0 DCAARO CC(C)c1ncc(C(=O)NCC[N@@H+]2CCC[C@H](CO)C2)c(=O)[nH]1 ZINC000253536700 396030376 /nfs/dbraw/zinc/03/03/76/396030376.db2.gz LHIUYPUUFOWKSS-LBPRGKRZSA-N 1 0 322.409 0.740 50 0 DCAARO CCn1c(=O)n(CCCCC(=O)OC)nc1[C@H]1CCC[NH2+]C1 ZINC000067691112 396031197 /nfs/dbraw/zinc/03/11/97/396031197.db2.gz DGSOLGCPNDBNFX-LBPRGKRZSA-N 1 0 310.398 0.875 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc2c1OCC2 ZINC000067817454 396034630 /nfs/dbraw/zinc/03/46/30/396034630.db2.gz KGTBQQPBTIQREU-YPMHNXCESA-N 1 0 303.362 0.299 50 0 DCAARO O=C(N[C@@H]1C[N@H+](C2CCSCC2)C[C@H]1CO)c1cnccn1 ZINC000257186923 396035436 /nfs/dbraw/zinc/03/54/36/396035436.db2.gz KYWGOINKLRHSSB-SMDDNHRTSA-N 1 0 322.434 0.395 50 0 DCAARO Cn1c(C[NH2+]C[C@@H]2Cc3ccccc3O2)cc(=O)n(C)c1=O ZINC000069153728 396071947 /nfs/dbraw/zinc/07/19/47/396071947.db2.gz QWWOHPBGFQZMBZ-ZDUSSCGKSA-N 1 0 301.346 0.177 50 0 DCAARO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CCNC(N)=O)CC1 ZINC000157075206 396062537 /nfs/dbraw/zinc/06/25/37/396062537.db2.gz DSHBTSCZHMONSZ-GFCCVEGCSA-N 1 0 319.409 0.782 50 0 DCAARO c1cnn(CCC[NH+]2CCN(c3ccnc4nncn43)CC2)c1 ZINC000252493415 396020830 /nfs/dbraw/zinc/02/08/30/396020830.db2.gz NBQQXSGTXYOCBE-UHFFFAOYSA-N 1 0 312.381 0.533 50 0 DCAARO CC(C)(C)[C@H](O)C[NH+]1CCN(Cc2nnnn2C2CC2)CC1 ZINC000069653240 396086098 /nfs/dbraw/zinc/08/60/98/396086098.db2.gz TXNBFYHJYBJLHN-CYBMUJFWSA-N 1 0 308.430 0.533 50 0 DCAARO COc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(OC)c1 ZINC000169756840 396091148 /nfs/dbraw/zinc/09/11/48/396091148.db2.gz GLWLHHBJJQMVCR-BETUJISGSA-N 1 0 304.346 0.750 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000069814072 396091254 /nfs/dbraw/zinc/09/12/54/396091254.db2.gz RIADGQZZGDRQSU-CYBMUJFWSA-N 1 0 315.443 0.272 50 0 DCAARO C[NH+](C)CCCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000170622089 396096210 /nfs/dbraw/zinc/09/62/10/396096210.db2.gz JQAKNLAOYAKYQJ-ZDUSSCGKSA-N 1 0 318.377 0.195 50 0 DCAARO O=C(C[C@H]1C[NH2+]CCO1)NCc1cnn(Cc2ccccc2)c1 ZINC000071440188 396114209 /nfs/dbraw/zinc/11/42/09/396114209.db2.gz OAGIWSVLRWRPPW-INIZCTEOSA-N 1 0 314.389 0.926 50 0 DCAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071877023 396121785 /nfs/dbraw/zinc/12/17/85/396121785.db2.gz FVJUPHLRWSUWDD-PMPSAXMXSA-N 1 0 324.425 0.689 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000071880583 396122228 /nfs/dbraw/zinc/12/22/28/396122228.db2.gz LAJLSZKREBSRQK-HOTGVXAUSA-N 1 0 323.437 0.711 50 0 DCAARO CC(C)COC[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000071897752 396124266 /nfs/dbraw/zinc/12/42/66/396124266.db2.gz KGMCOPBFPGSCQL-ZIAGYGMSSA-N 1 0 300.447 0.593 50 0 DCAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2CCCO2)CC1 ZINC000071920296 396125243 /nfs/dbraw/zinc/12/52/43/396125243.db2.gz HSPFMSDZQGOZIA-GJZGRUSLSA-N 1 0 312.458 0.738 50 0 DCAARO Cc1cc(NC(=O)C[NH2+]C[C@H]2CCCN2c2cccnn2)no1 ZINC000072276713 396129149 /nfs/dbraw/zinc/12/91/49/396129149.db2.gz SRLRBHVMIHIORR-GFCCVEGCSA-N 1 0 316.365 0.970 50 0 DCAARO O=C(Cc1ccccn1)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000162091419 396078917 /nfs/dbraw/zinc/07/89/17/396078917.db2.gz ZUFYWIDEOYETKL-GFCCVEGCSA-N 1 0 317.311 0.692 50 0 DCAARO Cc1csc2nc(C[NH2+][C@H]3CCc4ncnn4C3)cc(=O)n12 ZINC000069588803 396083862 /nfs/dbraw/zinc/08/38/62/396083862.db2.gz JJXCLOAGUUGZDV-JTQLQIEISA-N 1 0 316.390 0.761 50 0 DCAARO Cc1csc2nc(C[NH2+][C@@H]3CCc4ncnn4C3)cc(=O)n12 ZINC000069588801 396083912 /nfs/dbraw/zinc/08/39/12/396083912.db2.gz JJXCLOAGUUGZDV-SNVBAGLBSA-N 1 0 316.390 0.761 50 0 DCAARO CCOC(=O)N1CCC([NH2+]Cc2c(N)ncnc2OC)CC1 ZINC000075104025 396176100 /nfs/dbraw/zinc/17/61/00/396176100.db2.gz WQCQWPNJFYLGKH-UHFFFAOYSA-N 1 0 309.370 0.778 50 0 DCAARO COc1cc2nc(N3CCN(C)CC3)[nH+]c(NN)c2cc1OC ZINC000075286783 396179582 /nfs/dbraw/zinc/17/95/82/396179582.db2.gz DLBOMRZNAUNAQC-UHFFFAOYSA-N 1 0 318.381 0.684 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2)C1 ZINC000078602879 396249226 /nfs/dbraw/zinc/24/92/26/396249226.db2.gz QGGUMWXPKYLTRE-CQSZACIVSA-N 1 0 323.368 0.991 50 0 DCAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1c[nH]nc1C ZINC000078898646 396257404 /nfs/dbraw/zinc/25/74/04/396257404.db2.gz JTYPYVHDKCWGFE-YPMHNXCESA-N 1 0 300.428 0.868 50 0 DCAARO CN(Cc1cnc2ccccc2n1)C(=O)c1cn(CC[NH3+])nn1 ZINC000077408259 396220996 /nfs/dbraw/zinc/22/09/96/396220996.db2.gz AYRFZOAHGWGMNL-UHFFFAOYSA-N 1 0 311.349 0.452 50 0 DCAARO CN1CC[NH+](CC2CCN(C(=O)N[C@@H]3CCOC3)CC2)CC1 ZINC000192200118 396430068 /nfs/dbraw/zinc/43/00/68/396430068.db2.gz SLHNJOHAXCMEJS-OAHLLOKOSA-N 1 0 310.442 0.444 50 0 DCAARO C[NH+]1CCC(C(=O)N2CCCNC(=O)C2)(c2ccccc2)CC1 ZINC000584897483 396635536 /nfs/dbraw/zinc/63/55/36/396635536.db2.gz JBXJIIREAAAHSS-UHFFFAOYSA-N 1 0 315.417 0.999 50 0 DCAARO COC(=O)CC1CCN(C(=O)/C=C/CN2CCOCC2)CC1 ZINC000585140315 396641467 /nfs/dbraw/zinc/64/14/67/396641467.db2.gz CCFUNZZKZGZPEM-NSCUHMNNSA-N 1 0 310.394 0.677 50 0 DCAARO C[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000375855953 396833764 /nfs/dbraw/zinc/83/37/64/396833764.db2.gz DMDVOMOFSWVVDX-MNFFZHCASA-N 1 0 323.437 0.611 50 0 DCAARO Cn1nccc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000386808461 397290849 /nfs/dbraw/zinc/29/08/49/397290849.db2.gz PHUQIBDQONPAOF-QWHCGFSZSA-N 1 0 306.391 0.454 50 0 DCAARO COC1CCC(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)CC1 ZINC000067742126 292152051 /nfs/dbraw/zinc/15/20/51/292152051.db2.gz KUSJEQSLAOBXSP-YIOUJQMASA-N 1 0 311.426 0.644 50 0 DCAARO O=C([C@H](c1cccnc1)N1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000097813753 304411122 /nfs/dbraw/zinc/41/11/22/304411122.db2.gz KLPDWAXXUUGZNV-XHSDSOJGSA-N 1 0 316.405 0.133 50 0 DCAARO NC(=O)c1cc(C(=O)NC[C@@H]2CCC[NH2+]2)nn1-c1ccccc1 ZINC000178750904 158463130 /nfs/dbraw/zinc/46/31/30/158463130.db2.gz GDTUZTBIURLLJN-NSHDSACASA-N 1 0 313.361 0.453 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 ZINC000132681286 196276166 /nfs/dbraw/zinc/27/61/66/196276166.db2.gz GGKDGPARIVMULH-KOLCDFICSA-N 1 0 309.316 0.877 50 0 DCAARO Cc1ccc2c(c1)N(CCC(=O)NCC[NH+](C)C)C(=O)CO2 ZINC000003907253 415127452 /nfs/dbraw/zinc/12/74/52/415127452.db2.gz ATTZXCMCHJASDG-UHFFFAOYSA-N 1 0 305.378 0.788 50 0 DCAARO NC(=O)CCS(=O)(=O)CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025440503 415163615 /nfs/dbraw/zinc/16/36/15/415163615.db2.gz AVMSVJMLXVECNY-OAHLLOKOSA-N 1 0 324.446 0.984 50 0 DCAARO C[NH+](C)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007612679 415140457 /nfs/dbraw/zinc/14/04/57/415140457.db2.gz AKJGTODDLUHRGZ-UHFFFAOYSA-N 1 0 300.380 0.688 50 0 DCAARO COc1ccc([C@H]2CCCN2CC(=O)N2CCNC(=O)C2)cc1 ZINC000014043188 415149166 /nfs/dbraw/zinc/14/91/66/415149166.db2.gz RPFGBBVXTWBUBH-OAHLLOKOSA-N 1 0 317.389 0.791 50 0 DCAARO C[C@@H]([N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)(C)C ZINC000027132829 415168596 /nfs/dbraw/zinc/16/85/96/415168596.db2.gz VAWAYJOZRRAJFD-SECBINFHSA-N 1 0 310.398 0.215 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000044332071 415219265 /nfs/dbraw/zinc/21/92/65/415219265.db2.gz WJBKZTRALYELSX-KGLIPLIRSA-N 1 0 311.426 0.328 50 0 DCAARO COCCn1nc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)ccc1=O ZINC000044940200 415235789 /nfs/dbraw/zinc/23/57/89/415235789.db2.gz KTKFDYDBAMNOMY-ZDUSSCGKSA-N 1 0 322.409 0.494 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1nc2ccccn2c1=O ZINC000045180041 415243245 /nfs/dbraw/zinc/24/32/45/415243245.db2.gz CGINFNHBDBIUDU-LBPRGKRZSA-N 1 0 303.366 0.097 50 0 DCAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC000269248169 415249917 /nfs/dbraw/zinc/24/99/17/415249917.db2.gz FIRCOJKIVWVVDA-VXGBXAGGSA-N 1 0 300.366 0.862 50 0 DCAARO CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000044556760 415220638 /nfs/dbraw/zinc/22/06/38/415220638.db2.gz USHSHJGYLFTNDR-LBPRGKRZSA-N 1 0 311.407 0.548 50 0 DCAARO CCNC(=O)NC(=O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000058157766 415343487 /nfs/dbraw/zinc/34/34/87/415343487.db2.gz UPDZVAFAQQNAET-UHFFFAOYSA-N 1 0 324.450 0.754 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1n[nH]c2c1CCC2 ZINC000067868609 415391090 /nfs/dbraw/zinc/39/10/90/415391090.db2.gz AACSYQSZXWUGKD-GWCFXTLKSA-N 1 0 319.409 0.309 50 0 DCAARO Cc1ccc(F)c(S(=O)(=O)NC[C@@H]2CC[NH2+]C[C@H]2O)c1 ZINC000072408694 415412665 /nfs/dbraw/zinc/41/26/65/415412665.db2.gz DNDMWZZBCFPKHT-CMPLNLGQSA-N 1 0 302.371 0.383 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C(C)=O)s1 ZINC000067678403 415378440 /nfs/dbraw/zinc/37/84/40/415378440.db2.gz WRXHXFNDZRWWPE-UWVGGRQHSA-N 1 0 309.391 0.629 50 0 DCAARO CC[NH+](CC)Cc1cnc2c(C(=O)NC[C@@H](C)O)cnn2c1 ZINC000067472655 415381120 /nfs/dbraw/zinc/38/11/20/415381120.db2.gz BCSUJIHTIGWAFU-LLVKDONJSA-N 1 0 305.382 0.682 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(OC)ccc1OC ZINC000067788702 415383617 /nfs/dbraw/zinc/38/36/17/415383617.db2.gz KODORNSURSHYFB-OCCSQVGLSA-N 1 0 307.394 0.742 50 0 DCAARO O=C(C1CCC1)N(CC1=CCC[N@@H+](C[C@H](O)CO)C1)C1CC1 ZINC000067688974 415383843 /nfs/dbraw/zinc/38/38/43/415383843.db2.gz PRBKBLIMFXMIEK-INIZCTEOSA-N 1 0 308.422 0.763 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccn1-c1ncccn1 ZINC000067714717 415386369 /nfs/dbraw/zinc/38/63/69/415386369.db2.gz YUUMPHPERPFSIC-OCCSQVGLSA-N 1 0 314.393 0.305 50 0 DCAARO COc1cccc2c1OCCCN(C[C@]1(O)C[NH2+]CCOC1)C2 ZINC000077505882 415462722 /nfs/dbraw/zinc/46/27/22/415462722.db2.gz ZGRWFIQWVVGQKU-QGZVFWFLSA-N 1 0 322.405 0.631 50 0 DCAARO COCC[N@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(C)n[nH]2)C1 ZINC000091445090 415535355 /nfs/dbraw/zinc/53/53/55/415535355.db2.gz MUHOPABNFJXCLQ-ZIAGYGMSSA-N 1 0 324.425 0.367 50 0 DCAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCc2cc(=O)[nH]c(C)n2)C1 ZINC000095363461 415553416 /nfs/dbraw/zinc/55/34/16/415553416.db2.gz VYIMZCUBASSPET-INIZCTEOSA-N 1 0 306.410 0.859 50 0 DCAARO [NH3+][C@H]1CN(c2cc(C(=O)N3CCOCC3)ccn2)C[C@@H]1C1CC1 ZINC000095354210 415554758 /nfs/dbraw/zinc/55/47/58/415554758.db2.gz RYPXLBBQJGCKIP-CABCVRRESA-N 1 0 316.405 0.728 50 0 DCAARO NC(=O)NCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095377047 415560079 /nfs/dbraw/zinc/56/00/79/415560079.db2.gz DRGDCAGZCPTJFG-HUUCEWRRSA-N 1 0 316.405 0.778 50 0 DCAARO C[C@H](O)CNC(=O)C1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000095951766 415562920 /nfs/dbraw/zinc/56/29/20/415562920.db2.gz JSNPXXHIQGFPMP-LBPRGKRZSA-N 1 0 307.394 0.094 50 0 DCAARO NC(=O)CN1CC[N@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000106969523 415658108 /nfs/dbraw/zinc/65/81/08/415658108.db2.gz ZSIGEHIYDORLGO-MRXNPFEDSA-N 1 0 305.422 0.473 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)CCc2cnn(C)c2)C1 ZINC000299780925 416068403 /nfs/dbraw/zinc/06/84/03/416068403.db2.gz AUNRFQSOTXQJHR-HNNXBMFYSA-N 1 0 308.426 0.779 50 0 DCAARO NC(=O)N1CCC[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000176827922 416135816 /nfs/dbraw/zinc/13/58/16/416135816.db2.gz NTLCHNIFPIFMHH-ZDUSSCGKSA-N 1 0 324.425 0.100 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CC[NH2+]1 ZINC000188409924 416262299 /nfs/dbraw/zinc/26/22/99/416262299.db2.gz YPQUCTKXBZNCQY-KYOSRNDESA-N 1 0 319.409 0.150 50 0 DCAARO CN(C)[C@@H]1C[C@@H](CO)N(Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000215394176 416326946 /nfs/dbraw/zinc/32/69/46/416326946.db2.gz GZALNBVNHDKBGI-KGLIPLIRSA-N 1 0 312.435 0.587 50 0 DCAARO Cc1nnc([C@@H](C)NC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)[nH]1 ZINC000244718695 416330722 /nfs/dbraw/zinc/33/07/22/416330722.db2.gz LPGUTPOKWXQKOS-IEBDPFPHSA-N 1 0 318.385 0.638 50 0 DCAARO CN(C)c1ncc(CN2CCCN(c3cccnn3)CC2)n1C ZINC000643885961 417411857 /nfs/dbraw/zinc/41/18/57/417411857.db2.gz CRGYDCZGYHHCIW-UHFFFAOYSA-N 1 0 315.425 0.988 50 0 DCAARO C[NH+](C)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)C[C@@H]1O ZINC000647886119 418069417 /nfs/dbraw/zinc/06/94/17/418069417.db2.gz BZHXLYTURDJDTP-RYUDHWBXSA-N 1 0 304.799 0.635 50 0 DCAARO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1=O ZINC000299752433 229396397 /nfs/dbraw/zinc/39/63/97/229396397.db2.gz UDEIRFMPDGCATQ-CAPXZKIUSA-N 1 0 313.401 0.826 50 0 DCAARO C[NH+]1CCC(O)(Cc2nc3c([nH]2)C(=O)NCC(C)(C)C3)CC1 ZINC000095520121 277032545 /nfs/dbraw/zinc/03/25/45/277032545.db2.gz WILKHIDPFYSPGU-UHFFFAOYSA-N 1 0 306.410 0.721 50 0 DCAARO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000036297182 277503724 /nfs/dbraw/zinc/50/37/24/277503724.db2.gz AMEGJJIHTXRNTK-SNVBAGLBSA-N 1 0 318.420 0.202 50 0 DCAARO C[C@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)[C@@H]1C[NH3+] ZINC000237698004 290426232 /nfs/dbraw/zinc/42/62/32/290426232.db2.gz UAQYMYODPHYQKM-WCQYABFASA-N 1 0 302.440 0.930 50 0 DCAARO Cc1noc(C)c1S(=O)(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082087721 331989892 /nfs/dbraw/zinc/98/98/92/331989892.db2.gz DAVRCZRSWONPDU-UHFFFAOYSA-N 1 0 311.367 0.070 50 0 DCAARO [NH3+]C1CCN(S(=O)(=O)CCOc2ccc(F)cc2)CC1 ZINC000534588274 334293079 /nfs/dbraw/zinc/29/30/79/334293079.db2.gz NGIJCXXEQQTJHZ-UHFFFAOYSA-N 1 0 302.371 0.957 50 0 DCAARO Cc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)cc(C)n1 ZINC000534638499 334310114 /nfs/dbraw/zinc/31/01/14/334310114.db2.gz OFGRQTDQUVPIHO-HOTGVXAUSA-N 1 0 318.421 0.443 50 0 DCAARO COc1cc(C(=O)NCC[C@@H](C)[NH+]2CCN(C)CC2)ccn1 ZINC000534657582 334314604 /nfs/dbraw/zinc/31/46/04/334314604.db2.gz NZYGYHOVCLMBSC-CYBMUJFWSA-N 1 0 306.410 0.846 50 0 DCAARO CN1CCN(CC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)C1=O ZINC000534648525 334316696 /nfs/dbraw/zinc/31/66/96/334316696.db2.gz CEPXBICWIRXNQW-CYBMUJFWSA-N 1 0 308.426 0.735 50 0 DCAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000133987610 334726351 /nfs/dbraw/zinc/72/63/51/334726351.db2.gz ZYKFJCBEKGOVIX-STQMWFEESA-N 1 0 305.309 0.384 50 0 DCAARO CCCn1cc(CN2CC[C@@H](S(=O)(=O)NCC)C2)cn1 ZINC000097235464 337382379 /nfs/dbraw/zinc/38/23/79/337382379.db2.gz IZEUDPCSVUVESZ-CYBMUJFWSA-N 1 0 300.428 0.807 50 0 DCAARO Cn1cc([C@]2(C)CN(C(=O)[C@H]3CC34CC[NH2+]CC4)CCO2)cn1 ZINC000237803110 527326753 /nfs/dbraw/zinc/32/67/53/527326753.db2.gz VRTAQQRMJMBREB-ZBFHGGJFSA-N 1 0 318.421 0.884 50 0 DCAARO O=C1CN(C[C@@]2(O)CC[NH2+]C2)CCN1CCc1ccccc1 ZINC000077298383 545679192 /nfs/dbraw/zinc/67/91/92/545679192.db2.gz BYXKAXZXDMECQU-QGZVFWFLSA-N 1 0 303.406 0.098 50 0 DCAARO CCc1nc(CN(C)[C@H]2CC[N@H+](CCn3cncn3)C2)no1 ZINC000083830413 545698664 /nfs/dbraw/zinc/69/86/64/545698664.db2.gz IOCYYUGLVLJFPE-LBPRGKRZSA-N 1 0 305.386 0.430 50 0 DCAARO Cn1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1=O ZINC000084321545 545700089 /nfs/dbraw/zinc/70/00/89/545700089.db2.gz JOIGLWJGCTVLTM-ZIAGYGMSSA-N 1 0 305.378 0.057 50 0 DCAARO CC(C)N1CC[NH+](C2CCN(Cc3nccc(N)n3)CC2)CC1 ZINC000328864146 546039857 /nfs/dbraw/zinc/03/98/57/546039857.db2.gz GAZLMJMYSKDJCQ-UHFFFAOYSA-N 1 0 318.469 1.049 50 0 DCAARO O=C([O-])c1n[nH]cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000670433975 547087751 /nfs/dbraw/zinc/08/77/51/547087751.db2.gz QMRJFJOMVARFSN-UHFFFAOYSA-N 1 0 308.382 0.652 50 0 DCAARO CN1CC2(CCN(C(=O)C[NH+]3CCCCCC3)CC2)OCC1=O ZINC000670447533 547094850 /nfs/dbraw/zinc/09/48/50/547094850.db2.gz ZVZYLIBRTPPVNN-UHFFFAOYSA-N 1 0 323.437 0.712 50 0 DCAARO COC(=O)N[C@@H](C)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000670451068 547096710 /nfs/dbraw/zinc/09/67/10/547096710.db2.gz PBIVTVNPCMCTOF-NSHDSACASA-N 1 0 313.398 0.491 50 0 DCAARO CC(C)C[N@@H+]1CCN(c2cncc(C(N)=O)n2)C[C@@H]1CCO ZINC000670460126 547098904 /nfs/dbraw/zinc/09/89/04/547098904.db2.gz VFHYRENZBYAMFN-LBPRGKRZSA-N 1 0 307.398 0.105 50 0 DCAARO CN1C[C@]2(CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)OCC1=O ZINC000670461619 547099409 /nfs/dbraw/zinc/09/94/09/547099409.db2.gz MFXTYSQNQVGBHK-KRWDZBQOSA-N 1 0 318.373 0.891 50 0 DCAARO CCc1nc(N)sc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000217146394 563713062 /nfs/dbraw/zinc/71/30/62/563713062.db2.gz NIVOJPCHYTZDII-SNVBAGLBSA-N 1 0 309.439 0.407 50 0 DCAARO Cc1nc(S(=O)(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cn1C ZINC000888095676 661167480 /nfs/dbraw/zinc/16/74/80/661167480.db2.gz QAIAMLXSVIOSGZ-GHMZBOCLSA-N 1 0 300.428 0.736 50 0 DCAARO Cc1nnc(C2CCN(C(=O)CN3CC[C@@H]([NH+](C)C)C3)CC2)[nH]1 ZINC000299774657 659642640 /nfs/dbraw/zinc/64/26/40/659642640.db2.gz HPGJWHTZEPSFFC-CQSZACIVSA-N 1 0 320.441 0.455 50 0 DCAARO Nc1nc(NCCO)cc(-c2ccc(F)c3c2O[C@@H](C[NH3+])C3)n1 ZINC000067674411 662834762 /nfs/dbraw/zinc/83/47/62/662834762.db2.gz NWMWTXFMZOZVOW-MRVPVSSYSA-N 1 0 319.340 0.531 50 0 DCAARO NC(=O)[C@H]1CCC[N@H+](CCCn2cnc3ccccc3c2=O)C1 ZINC000032511704 664658999 /nfs/dbraw/zinc/65/89/99/664658999.db2.gz KSUDFLIPLQMCHI-ZDUSSCGKSA-N 1 0 314.389 0.984 50 0 DCAARO NC(=O)[C@H]1CCC[N@H+](CCn2cnc3sccc3c2=O)C1 ZINC000032565386 664684498 /nfs/dbraw/zinc/68/44/98/664684498.db2.gz KCURPLBLRILBNE-JTQLQIEISA-N 1 0 306.391 0.655 50 0 DCAARO Nc1nc2c(s1)CN(Cc1cc3n(n1)CCC[NH2+]C3)CC2 ZINC000072167063 666233356 /nfs/dbraw/zinc/23/33/56/666233356.db2.gz IJNSWNPRNCLVTN-UHFFFAOYSA-N 1 0 304.423 0.973 50 0 DCAARO COCCC(=O)N1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000952977046 685600741 /nfs/dbraw/zinc/60/07/41/685600741.db2.gz OPLWELLLRMUPJJ-UHFFFAOYSA-N 1 0 311.426 0.474 50 0 DCAARO CCC(=O)N1CCC(C(=O)NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000952979203 685601227 /nfs/dbraw/zinc/60/12/27/685601227.db2.gz GJZSYIMCSZQZRW-AWEZNQCLSA-N 1 0 311.426 0.208 50 0 DCAARO Cc1nc(C[N@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)cc(=O)[nH]1 ZINC001704299409 1179965138 /nfs/dbraw/zinc/96/51/38/1179965138.db2.gz RLYIPRIVTXWDQE-BXUZGUMPSA-N 1 0 301.350 0.316 50 0 DCAARO Cc1cc(C[C@@H]2C[N@H+](Cc3cc(=O)[nH]c(C)n3)C[C@H]2O)on1 ZINC001704335350 1179977858 /nfs/dbraw/zinc/97/78/58/1179977858.db2.gz DVPPVSORWLRBNC-BXUZGUMPSA-N 1 0 304.350 0.822 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC2(CC1)OCCc1ccsc12 ZINC001704342121 1179979353 /nfs/dbraw/zinc/97/93/53/1179979353.db2.gz HOZNIERIGWUTMI-OLZOCXBDSA-N 1 0 322.430 0.861 50 0 DCAARO [NH3+]CCN(C1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000675018990 748026934 /nfs/dbraw/zinc/02/69/34/748026934.db2.gz IIZBBFQBXCOBBZ-UHFFFAOYSA-N 1 0 302.371 0.954 50 0 DCAARO CC[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC ZINC000822555813 758201678 /nfs/dbraw/zinc/20/16/78/758201678.db2.gz QPGVAXKWVFUSAA-ZDUSSCGKSA-N 1 0 313.423 0.681 50 0 DCAARO O=S(=O)(NCCC[N@H+]1CCC[C@H](CO)C1)N1CCCC1 ZINC000828711192 759075054 /nfs/dbraw/zinc/07/50/54/759075054.db2.gz PJWGYOFHLZJMCE-ZDUSSCGKSA-N 1 0 305.444 0.011 50 0 DCAARO C[C@@](O)(C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1)C(F)(F)F ZINC000952877369 768941906 /nfs/dbraw/zinc/94/19/06/768941906.db2.gz OZAUOBKIZXCOFS-ZYHUDNBSSA-N 1 0 309.332 0.196 50 0 DCAARO O=C(c1cncc(F)c1)N1CCC[N@H+](C[C@@H]2COCCO2)CC1 ZINC001529167377 1014511548 /nfs/dbraw/zinc/51/15/48/1014511548.db2.gz HWEGFXXVIFVXNF-OAHLLOKOSA-N 1 0 323.368 0.784 50 0 DCAARO CO[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCc1[nH]nc2c1CCCC2 ZINC001506404779 1017254805 /nfs/dbraw/zinc/25/48/05/1017254805.db2.gz IYICLXSMAAJMBN-LSDHHAIUSA-N 1 0 306.410 0.714 50 0 DCAARO Cc1cc(NCCS(C)(=O)=O)nc(N2CCOCC2)[nH+]1 ZINC001506406985 1017257455 /nfs/dbraw/zinc/25/74/55/1017257455.db2.gz SSPSMTHKIDJDMT-UHFFFAOYSA-N 1 0 300.384 0.078 50 0 DCAARO C[NH+](C)CCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095475518 185373262 /nfs/dbraw/zinc/37/32/62/185373262.db2.gz FXCWSWILZCBIJY-NSHDSACASA-N 1 0 315.377 0.594 50 0 DCAARO Cn1c(CN2CCOCC2)cc(=O)c(O)c1C[NH+]1CCCC1 ZINC000095479662 185373437 /nfs/dbraw/zinc/37/34/37/185373437.db2.gz HZAXOTXPTPDWTJ-UHFFFAOYSA-N 1 0 307.394 0.519 50 0 DCAARO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1csnn1 ZINC000095431021 185363183 /nfs/dbraw/zinc/36/31/83/185363183.db2.gz NPVCEVZZULGHQI-ZDUSSCGKSA-N 1 0 318.402 0.687 50 0 DCAARO C[N@H+](CCON=C(N)CN1CCOCC1)Cc1ccccc1 ZINC000408521630 529924627 /nfs/dbraw/zinc/92/46/27/529924627.db2.gz DGYFTILKWPRJAV-UHFFFAOYSA-N 1 0 306.410 0.949 50 0 DCAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(S(N)(=O)=O)c(C)s1 ZINC000408519278 530002995 /nfs/dbraw/zinc/00/29/95/530002995.db2.gz FCBASJRZKDZAOF-SECBINFHSA-N 1 0 317.436 0.528 50 0 DCAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)CC2 ZINC000069975961 190845807 /nfs/dbraw/zinc/84/58/07/190845807.db2.gz QBERJFGKPFPSBS-ZIAGYGMSSA-N 1 0 302.378 0.931 50 0 DCAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC000071144705 190936272 /nfs/dbraw/zinc/93/62/72/190936272.db2.gz CJRSVRKIAVSHKK-LLVKDONJSA-N 1 0 314.407 0.934 50 0 DCAARO Cc1c(NC(=O)CN2CC[C@H]3[NH2+]CCC[C@]3(CO)C2)cnn1C ZINC000072122211 191040164 /nfs/dbraw/zinc/04/01/64/191040164.db2.gz SRGIVBCKFOANOD-GDBMZVCRSA-N 1 0 321.425 0.103 50 0 DCAARO CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000072127494 191042629 /nfs/dbraw/zinc/04/26/29/191042629.db2.gz MQNXKVMUOYCAFV-LBPRGKRZSA-N 1 0 310.398 0.995 50 0 DCAARO OCCOc1cccc(C[N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)c1 ZINC000072150301 191055433 /nfs/dbraw/zinc/05/54/33/191055433.db2.gz NDWBISXJTLRVEM-FSDCSDTHSA-N 1 0 307.390 0.621 50 0 DCAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCS(N)(=O)=O ZINC000072253595 191087020 /nfs/dbraw/zinc/08/70/20/191087020.db2.gz YPPZBDLDEHANLK-LBPRGKRZSA-N 1 0 300.428 0.852 50 0 DCAARO Cn1nccc1[C@@H]1CCC[N@H+](CCCNS(C)(=O)=O)C1 ZINC000072273101 191095047 /nfs/dbraw/zinc/09/50/47/191095047.db2.gz QYTNFACUYZTCJL-GFCCVEGCSA-N 1 0 300.428 0.539 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000072277736 191098049 /nfs/dbraw/zinc/09/80/49/191098049.db2.gz MEYHITQDBLVGPT-FRRDWIJNSA-N 1 0 303.428 0.120 50 0 DCAARO CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000237444374 186289878 /nfs/dbraw/zinc/28/98/78/186289878.db2.gz GSIONUVSGSTYPN-JTQLQIEISA-N 1 0 318.420 0.202 50 0 DCAARO C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc(N2CCCC2=O)cc1 ZINC000237464483 186293520 /nfs/dbraw/zinc/29/35/20/186293520.db2.gz VKAHEDJHKIROQC-GLQYFDAESA-N 1 0 317.389 0.713 50 0 DCAARO [NH3+]CCCN1C(=O)CC[C@H]2CN(C(=O)c3cc[nH]n3)CC[C@H]21 ZINC000072423435 191158799 /nfs/dbraw/zinc/15/87/99/191158799.db2.gz YYXXJFLDKJQJCH-WCQYABFASA-N 1 0 305.382 0.212 50 0 DCAARO O=C(c1ccsc1)N1C[C@H](O)[C@@H]([NH+]2CCC(CO)CC2)C1 ZINC000072424495 191159720 /nfs/dbraw/zinc/15/97/20/191159720.db2.gz GYKKTJHZDDLQFL-KBPBESRZSA-N 1 0 310.419 0.638 50 0 DCAARO CCn1ncnc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH2+]C)C1 ZINC000072453640 191171509 /nfs/dbraw/zinc/17/15/09/191171509.db2.gz LRJUITHSPANKCU-UONOGXRCSA-N 1 0 320.441 0.330 50 0 DCAARO Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)no1 ZINC000072886973 191248314 /nfs/dbraw/zinc/24/83/14/191248314.db2.gz UVMZJGDMJVFWOO-GFCCVEGCSA-N 1 0 308.382 0.352 50 0 DCAARO C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)Oc1ccccc1 ZINC000073060658 191275246 /nfs/dbraw/zinc/27/52/46/191275246.db2.gz VGJGUROWVVBEIT-HUUCEWRRSA-N 1 0 320.437 0.999 50 0 DCAARO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2 ZINC000003831165 181047607 /nfs/dbraw/zinc/04/76/07/181047607.db2.gz VWPOSFSPZNDTMJ-CFVMTHIKSA-N 1 0 309.406 0.635 50 0 fda DCAARO C[NH+](C)CCCNC(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000004476488 181111985 /nfs/dbraw/zinc/11/19/85/181111985.db2.gz GDRHHUMAOQCEJG-UHFFFAOYSA-N 1 0 307.350 0.099 50 0 DCAARO O[C@H](C[NH2+][C@H]1CCc2ncnn2C1)COCc1ccccc1F ZINC000075132581 191427280 /nfs/dbraw/zinc/42/72/80/191427280.db2.gz MTAFACLDSPSDIA-UONOGXRCSA-N 1 0 320.368 0.899 50 0 DCAARO COc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)cc1 ZINC000077298695 191688050 /nfs/dbraw/zinc/68/80/50/191688050.db2.gz KQYDXEFYRYEXIX-WBMJQRKESA-N 1 0 320.389 0.788 50 0 DCAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000237165009 202173769 /nfs/dbraw/zinc/17/37/69/202173769.db2.gz AOYNBCQHBFWHTB-GJZGRUSLSA-N 1 0 319.405 0.204 50 0 DCAARO NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC1CC[NH2+]CC1 ZINC000237931422 283357429 /nfs/dbraw/zinc/35/74/29/283357429.db2.gz DFYXYOQSUFSMTP-OAHLLOKOSA-N 1 0 301.390 0.815 50 0 DCAARO COc1cc(C)c(CN(C)C(=O)[C@H]2C[NH2+]CCO2)cc1OC ZINC000187258537 200084710 /nfs/dbraw/zinc/08/47/10/200084710.db2.gz HYURMZRFUSEGSY-OAHLLOKOSA-N 1 0 308.378 0.959 50 0 DCAARO O=C(NCc1ccccc1Cn1cccn1)[C@H]1C[NH2+]CCO1 ZINC000187289816 200089535 /nfs/dbraw/zinc/08/95/35/200089535.db2.gz RTSNBQKJYWLKGF-OAHLLOKOSA-N 1 0 300.362 0.536 50 0 DCAARO O=C(c1cc(N2CCNC2=O)c(F)cc1F)N1CC[NH2+]CC1 ZINC000237706822 202332775 /nfs/dbraw/zinc/33/27/75/202332775.db2.gz OOUDXUVQBIKLND-UHFFFAOYSA-N 1 0 310.304 0.540 50 0 DCAARO [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000131136371 283497864 /nfs/dbraw/zinc/49/78/64/283497864.db2.gz OXXYDJAIDZAZFL-VHSXEESVSA-N 1 0 307.316 0.737 50 0 DCAARO Cc1ccc([C@H]2CN(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C[C@@H]2[NH3+])o1 ZINC000091519303 193067961 /nfs/dbraw/zinc/06/79/61/193067961.db2.gz ZRFCVJKUXIRZQW-XGUBFFRZSA-N 1 0 321.421 0.950 50 0 DCAARO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000091496825 193064313 /nfs/dbraw/zinc/06/43/13/193064313.db2.gz NJDQQIQXLPAJDM-CMPLNLGQSA-N 1 0 312.391 0.877 50 0 DCAARO Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091933851 193128817 /nfs/dbraw/zinc/12/88/17/193128817.db2.gz OCCHKFBRJKXWEJ-ZJUUUORDSA-N 1 0 318.830 0.740 50 0 DCAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3nonc3C)C2)C1=O ZINC000091997899 193139492 /nfs/dbraw/zinc/13/94/92/193139492.db2.gz JHSHCDBTPVLYOG-HNNXBMFYSA-N 1 0 308.382 0.839 50 0 DCAARO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)CCc1ccncc1 ZINC000220669613 201579694 /nfs/dbraw/zinc/57/96/94/201579694.db2.gz VJTSJHGQKWTHGF-CVEARBPZSA-N 1 0 321.421 0.866 50 0 DCAARO COc1cccc(OC)c1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000019361274 182118927 /nfs/dbraw/zinc/11/89/27/182118927.db2.gz ITCQMBXERFBNNJ-ZDUSSCGKSA-N 1 0 310.394 0.691 50 0 DCAARO COc1cccc(NC(=O)CCN2CC[NH+](CCO)CC2)c1 ZINC000019841507 182155497 /nfs/dbraw/zinc/15/54/97/182155497.db2.gz WAJCRBAGZXMIPN-UHFFFAOYSA-N 1 0 307.394 0.634 50 0 DCAARO COc1cc2nc(CN3CC[NH+](C)CC3)[nH]c(=O)c2cc1OC ZINC000022776759 182334395 /nfs/dbraw/zinc/33/43/95/182334395.db2.gz NOCMDYDLPNHXTQ-UHFFFAOYSA-N 1 0 318.377 0.688 50 0 DCAARO OC[C@H](O)C[NH+]1CCC(CO)(CCOc2ccccc2)CC1 ZINC000023312194 182356308 /nfs/dbraw/zinc/35/63/08/182356308.db2.gz GYQDWMRLYGQCDG-OAHLLOKOSA-N 1 0 309.406 0.883 50 0 DCAARO Cn1ccnc1C(=O)N1CCC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000023379689 182359361 /nfs/dbraw/zinc/35/93/61/182359361.db2.gz UENPNWVSYXAOND-LLVKDONJSA-N 1 0 303.370 0.023 50 0 DCAARO CSCC[C@H]([NH3+])C(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000040462844 183071054 /nfs/dbraw/zinc/07/10/54/183071054.db2.gz FVXLBXDJNWVISU-NSHDSACASA-N 1 0 306.395 0.896 50 0 DCAARO CC[NH+]1CCN([C@H](C)CNC(=O)Nc2nnc(C)s2)CC1 ZINC000043406780 183358901 /nfs/dbraw/zinc/35/89/01/183358901.db2.gz JVNSWOJUENYREL-SNVBAGLBSA-N 1 0 312.443 0.994 50 0 DCAARO NS(=O)(=O)c1ccc(OCC[NH+]2CCSCC2)cc1 ZINC000061283483 184167978 /nfs/dbraw/zinc/16/79/78/184167978.db2.gz UTHAPPWNZMUHHY-UHFFFAOYSA-N 1 0 302.421 0.762 50 0 DCAARO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231170 184224011 /nfs/dbraw/zinc/22/40/11/184224011.db2.gz LVJNCIZYMBJUOO-HNNXBMFYSA-N 1 0 314.393 0.702 50 0 DCAARO C[C@H]([NH2+]CCNC(=O)c1cccnc1)C(=O)Nc1nccs1 ZINC000065424878 184343134 /nfs/dbraw/zinc/34/31/34/184343134.db2.gz VPOSHTCIQFSHIQ-JTQLQIEISA-N 1 0 319.390 0.885 50 0 DCAARO Cc1cc(C)n(CCC[NH2+]C2CCN(S(C)(=O)=O)CC2)n1 ZINC000065435853 184344632 /nfs/dbraw/zinc/34/46/32/184344632.db2.gz ZCDUMTDTPWFXBV-UHFFFAOYSA-N 1 0 314.455 0.904 50 0 DCAARO C[N@@H+]1C[C@H](NC(=O)COCC(F)(F)C(F)F)C[C@H]1CO ZINC000065395076 184335456 /nfs/dbraw/zinc/33/54/56/184335456.db2.gz AOZJVHQEFNPEMD-SFYZADRCSA-N 1 0 302.268 0.085 50 0 DCAARO CN(CC[NH2+][C@H]1CCN(c2ccc(F)cc2)C1)S(C)(=O)=O ZINC000065396924 184335760 /nfs/dbraw/zinc/33/57/60/184335760.db2.gz PWFLWFWTMNHUDW-ZDUSSCGKSA-N 1 0 315.414 0.885 50 0 DCAARO COC(=O)[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCCCCC2)CN1C ZINC000065493809 184354092 /nfs/dbraw/zinc/35/40/92/184354092.db2.gz RJWJEAMLQRTELP-KGLIPLIRSA-N 1 0 311.426 0.614 50 0 DCAARO NC(=O)NCC[N@H+]1CC=C(CNC(=O)C2CCCCC2)CC1 ZINC000065530889 184361006 /nfs/dbraw/zinc/36/10/06/184361006.db2.gz ANYMMVOIZLYPRD-UHFFFAOYSA-N 1 0 308.426 0.983 50 0 DCAARO CCc1nnsc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067676300 184478368 /nfs/dbraw/zinc/47/83/68/184478368.db2.gz OBKOBCUQFOTVOU-WPRPVWTQSA-N 1 0 311.411 0.167 50 0 DCAARO CCCNc1ncc(CN2CCN3CC[N@H+](C)C[C@H]3C2)cn1 ZINC000244795098 256605681 /nfs/dbraw/zinc/60/56/81/256605681.db2.gz QZLFERIXCXCCIW-HNNXBMFYSA-N 1 0 304.442 0.730 50 0 DCAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000237489302 257238418 /nfs/dbraw/zinc/23/84/18/257238418.db2.gz QBGPADGGLPXMRQ-AAEUAGOBSA-N 1 0 305.378 0.893 50 0 DCAARO Cc1cc(C(=O)N2CCN3CC[N@H+](C)C[C@H]3C2)c(=O)n(C)c1C ZINC000106242665 257242439 /nfs/dbraw/zinc/24/24/39/257242439.db2.gz DDFDEKHPVBVYRS-AWEZNQCLSA-N 1 0 318.421 0.074 50 0 DCAARO Cc1nc2ccccn2c1CC(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000426582916 257246382 /nfs/dbraw/zinc/24/63/82/257246382.db2.gz WIEVLDCSHSMFLQ-GFCCVEGCSA-N 1 0 314.345 0.848 50 0 DCAARO COc1cc(C(=O)N2CC(n3cccn3)C2)ccc1OCC[NH3+] ZINC000426521558 257247977 /nfs/dbraw/zinc/24/79/77/257247977.db2.gz XRPKADXMXYCVIC-UHFFFAOYSA-N 1 0 316.361 0.926 50 0 DCAARO [NH3+]CCOc1ccc(CC(=O)N2CC(n3cccn3)C2)cc1 ZINC000426485582 257249245 /nfs/dbraw/zinc/24/92/45/257249245.db2.gz DUFVRSZRJJTUBU-UHFFFAOYSA-N 1 0 300.362 0.847 50 0 DCAARO O=C(NCc1ncc[nH]1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000426420134 257251670 /nfs/dbraw/zinc/25/16/70/257251670.db2.gz NEGZFJGXLVUWKG-ZDUSSCGKSA-N 1 0 307.398 0.398 50 0 DCAARO Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N[C@@H]3CC[C@@H]([NH3+])C3)cc12 ZINC000071776874 184841126 /nfs/dbraw/zinc/84/11/26/184841126.db2.gz RVVWKVWEKBSGFN-GHMZBOCLSA-N 1 0 321.402 0.995 50 0 DCAARO O=C([C@@H](c1cccnc1)N1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000097813754 304293968 /nfs/dbraw/zinc/29/39/68/304293968.db2.gz KLPDWAXXUUGZNV-OWCLPIDISA-N 1 0 316.405 0.133 50 0 DCAARO CC[NH2+]CC1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000088961014 285586272 /nfs/dbraw/zinc/58/62/72/285586272.db2.gz KCJBAYNIOPKLPJ-QWHCGFSZSA-N 1 0 319.471 0.662 50 0 DCAARO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000012909950 395688112 /nfs/dbraw/zinc/68/81/12/395688112.db2.gz IDOMCNAYGAWNAG-AXFHLTTASA-N 1 0 322.409 0.215 50 0 DCAARO CC[N@H+](CCC(=O)NC(=O)NC)C[C@@H]1COc2ccccc2O1 ZINC000012972104 395688271 /nfs/dbraw/zinc/68/82/71/395688271.db2.gz MLWCLDBFASYRMW-GFCCVEGCSA-N 1 0 321.377 0.994 50 0 DCAARO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc2nsnc2c1 ZINC000013736097 395688890 /nfs/dbraw/zinc/68/88/90/395688890.db2.gz VYMHWOFFXCXRSS-UHFFFAOYSA-N 1 0 307.379 0.698 50 0 DCAARO COC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCCC2)CN1C(=O)OC ZINC000001275871 395680850 /nfs/dbraw/zinc/68/08/50/395680850.db2.gz MMZZRSKYKIOHML-GHMZBOCLSA-N 1 0 301.343 0.267 50 0 DCAARO COc1cc2c(cc1O)CCN(C[C@H](O)C[NH2+]CCO)[C@@H]2C ZINC000001837056 395681097 /nfs/dbraw/zinc/68/10/97/395681097.db2.gz ORRQVCLFTXFXAG-DGCLKSJQSA-N 1 0 310.394 0.263 50 0 biogenic DCAARO Cc1ccc(OCC(=O)N2CCOC[C@@H]2C[N@H+](C)CCO)cc1 ZINC000085469969 395700841 /nfs/dbraw/zinc/70/08/41/395700841.db2.gz UMTYQXCEMKHPEP-HNNXBMFYSA-N 1 0 322.405 0.525 50 0 DCAARO Cc1nc(C)c(C(=O)N2CCOC[C@H]2C[N@H+](C)CCO)s1 ZINC000085470081 395701378 /nfs/dbraw/zinc/70/13/78/395701378.db2.gz MIWRFRSVUKSPHY-GFCCVEGCSA-N 1 0 313.423 0.525 50 0 DCAARO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ncncc2Cl)CC1 ZINC000085524022 395701618 /nfs/dbraw/zinc/70/16/18/395701618.db2.gz YSGXNLABMJGKQK-NSHDSACASA-N 1 0 312.801 0.953 50 0 DCAARO C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)CC1 ZINC000085472802 395701651 /nfs/dbraw/zinc/70/16/51/395701651.db2.gz NRIBBZNUMCXONC-LBPRGKRZSA-N 1 0 309.410 0.224 50 0 DCAARO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000032230027 395709394 /nfs/dbraw/zinc/70/93/94/395709394.db2.gz RHYBOLJDONTVES-KBPBESRZSA-N 1 0 313.419 0.820 50 0 DCAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CNC(=O)N1 ZINC000089799945 395715404 /nfs/dbraw/zinc/71/54/04/395715404.db2.gz GBRWGPZFYYQMNL-MNOVXSKESA-N 1 0 308.407 0.683 50 0 DCAARO CN1C(=O)N[C@@](C)([C@@H]2CCC[N@H+](CCn3cccn3)C2)C1=O ZINC000089914262 395716584 /nfs/dbraw/zinc/71/65/84/395716584.db2.gz LNQBNYBNJPXQRZ-DOMZBBRYSA-N 1 0 305.382 0.535 50 0 DCAARO COc1ccc(CCNC(=O)CN2CC[N@H+](C)C[C@H]2C)cc1 ZINC000089939052 395716894 /nfs/dbraw/zinc/71/68/94/395716894.db2.gz QJOAEXITUDLBGH-CQSZACIVSA-N 1 0 305.422 0.990 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccco2)C1 ZINC000028015582 395695713 /nfs/dbraw/zinc/69/57/13/395695713.db2.gz PDXWFJVDHKOLAM-ZDUSSCGKSA-N 1 0 323.393 0.482 50 0 DCAARO CNC(=O)[C@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000097019825 395755163 /nfs/dbraw/zinc/75/51/63/395755163.db2.gz YVSQFZQASMCZDE-AWEZNQCLSA-N 1 0 301.390 0.467 50 0 DCAARO Cn1cccc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H](O)C1 ZINC000097514289 395758682 /nfs/dbraw/zinc/75/86/82/395758682.db2.gz GGURUDDIIDOCGD-AWEZNQCLSA-N 1 0 307.394 0.323 50 0 DCAARO NC(=O)c1cccc(N2CCC3(CC[NH2+]C[C@@H]3CO)CC2)n1 ZINC000097601039 395759092 /nfs/dbraw/zinc/75/90/92/395759092.db2.gz GYCZUTOIICVMEJ-GFCCVEGCSA-N 1 0 304.394 0.369 50 0 DCAARO CC(=O)N1CC[N@@H+](C2CCN(Cc3ccco3)CC2)C[C@@H](O)C1 ZINC000097634940 395759155 /nfs/dbraw/zinc/75/91/55/395759155.db2.gz FFBIKTUDBPOIDZ-INIZCTEOSA-N 1 0 321.421 0.769 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C(=O)c2cnccn2)CC12CCOCC2 ZINC000097942772 395761389 /nfs/dbraw/zinc/76/13/89/395761389.db2.gz ZUDITMDBDXMTHT-CYBMUJFWSA-N 1 0 304.394 0.907 50 0 DCAARO CCCn1cnnc1CNC(=O)CN(C)C1CC[NH+](C)CC1 ZINC000219284210 395844868 /nfs/dbraw/zinc/84/48/68/395844868.db2.gz SHPMQTVTLISKQD-UHFFFAOYSA-N 1 0 308.430 0.330 50 0 DCAARO Cc1cc(N2CCCN(C(=O)CN3CCOCC3)CC2)cc[nH+]1 ZINC000220556808 395849025 /nfs/dbraw/zinc/84/90/25/395849025.db2.gz KVJMGULNXOBQKH-UHFFFAOYSA-N 1 0 318.421 0.761 50 0 DCAARO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC000221945980 395850893 /nfs/dbraw/zinc/85/08/93/395850893.db2.gz ZDQYAIQNQOZSQV-INMHGKMJSA-N 1 0 314.470 0.846 50 0 DCAARO CCc1nnc(CNCc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)s1 ZINC000222251429 395851847 /nfs/dbraw/zinc/85/18/47/395851847.db2.gz OAAZAUGYGWKLPB-DTORHVGOSA-N 1 0 307.427 0.724 50 0 DCAARO Cc1ccc(-n2cc(S(=O)(=O)N3CC[C@H]([NH3+])C3)cn2)cc1 ZINC000125078926 395902691 /nfs/dbraw/zinc/90/26/91/395902691.db2.gz WWXUNRJQUNOIHJ-LBPRGKRZSA-N 1 0 306.391 0.902 50 0 DCAARO O=C(Nc1cccnc1)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000245339347 395927468 /nfs/dbraw/zinc/92/74/68/395927468.db2.gz SEBLEXMEDDEHGQ-CFVMTHIKSA-N 1 0 314.389 0.963 50 0 DCAARO CC[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CCO1 ZINC000229478744 395874518 /nfs/dbraw/zinc/87/45/18/395874518.db2.gz ZUHQHHIITZRSGN-CABCVRRESA-N 1 0 321.425 0.628 50 0 DCAARO CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN([C@@H]2C[C@@H](C)OC2=O)C1 ZINC000229825500 395876139 /nfs/dbraw/zinc/87/61/39/395876139.db2.gz SMHVSYLVBRZBOH-OASPWFOLSA-N 1 0 322.365 0.505 50 0 DCAARO c1ncn(CC[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)n1 ZINC000229948090 395876793 /nfs/dbraw/zinc/87/67/93/395876793.db2.gz UWYDCLQLZWCBLW-SJORKVTESA-N 1 0 313.405 0.863 50 0 DCAARO Cc1cc(=O)cc(C(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)[nH]1 ZINC000253535349 396029300 /nfs/dbraw/zinc/02/93/00/396029300.db2.gz VDFUFLSEYVVQDB-NOLJZWGESA-N 1 0 319.405 0.965 50 0 DCAARO CN1CC[N@H+](C)CC12CCN(c1cc(NCCO)ncn1)CC2 ZINC000067604069 396029434 /nfs/dbraw/zinc/02/94/34/396029434.db2.gz RQXBKHYIPDWKBE-UHFFFAOYSA-N 1 0 320.441 0.097 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(C(C)C)no1 ZINC000067643348 396030117 /nfs/dbraw/zinc/03/01/17/396030117.db2.gz LHKDQXDHBFFHPM-JQWIXIFHSA-N 1 0 308.382 0.864 50 0 DCAARO Cc1cc(=O)n(CCN2CC([N@H+]3CCCC[C@@H]3C)C2)c(=O)[nH]1 ZINC000253536571 396030748 /nfs/dbraw/zinc/03/07/48/396030748.db2.gz IEAQOYBVMGMILI-ZDUSSCGKSA-N 1 0 306.410 0.816 50 0 DCAARO CC(C)(C[N@@H+]1CC[C@H](CNC(=O)C(F)F)C1)N1CCOCC1 ZINC000067692692 396031031 /nfs/dbraw/zinc/03/10/31/396031031.db2.gz XFTSJFLSGRRUNN-GFCCVEGCSA-N 1 0 319.396 0.800 50 0 DCAARO Cc1c(O)cccc1C(=O)N1C[C@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067727433 396031979 /nfs/dbraw/zinc/03/19/79/396031979.db2.gz KOGQZZFIPUFHAD-YPMHNXCESA-N 1 0 305.378 0.767 50 0 DCAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C1=NNC(=O)CC1 ZINC000067769837 396033509 /nfs/dbraw/zinc/03/35/09/396033509.db2.gz OGMFXJURTQEKKC-GFCCVEGCSA-N 1 0 314.389 0.815 50 0 DCAARO CNC(=O)[C@@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)C[C@H]1CO ZINC000257185642 396034401 /nfs/dbraw/zinc/03/44/01/396034401.db2.gz JSMZTSXCDQXZCA-SWLSCSKDSA-N 1 0 308.378 0.490 50 0 DCAARO COCc1noc([C@@H]2C[N@H+](Cc3cccn3C)C[C@H]2CO)n1 ZINC000257194867 396035838 /nfs/dbraw/zinc/03/58/38/396035838.db2.gz UVHAUPZGCVFGBM-WCQYABFASA-N 1 0 306.366 0.762 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c(OC)cccc1OC ZINC000067854960 396036390 /nfs/dbraw/zinc/03/63/90/396036390.db2.gz YFPMAUYFNCVHKM-YPMHNXCESA-N 1 0 307.394 0.742 50 0 DCAARO Cc1nc(N)nc(C)c1CC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000067965754 396040792 /nfs/dbraw/zinc/04/07/92/396040792.db2.gz HWVOTOZMXGXWFM-QWHCGFSZSA-N 1 0 303.410 0.913 50 0 DCAARO C[C@](C[NH3+])(NC(=O)Cc1ccc(-n2cnnn2)cc1)C1CC1 ZINC000154942386 396045296 /nfs/dbraw/zinc/04/52/96/396045296.db2.gz FMQOLIYEELAKML-OAHLLOKOSA-N 1 0 300.366 0.448 50 0 DCAARO CNC(=O)c1cccc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000155723220 396056669 /nfs/dbraw/zinc/05/66/69/396056669.db2.gz NIUNJBAPRDKITR-OAHLLOKOSA-N 1 0 318.421 0.934 50 0 DCAARO C1=CC[NH+]([C@H]2CCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000277281703 396059486 /nfs/dbraw/zinc/05/94/86/396059486.db2.gz AQJWMSNTKUVOSP-AWEZNQCLSA-N 1 0 301.394 0.764 50 0 DCAARO [NH3+]C[C@H]1CN(c2ncnc3c2cnn3-c2ccccc2)CCO1 ZINC000261779696 396064784 /nfs/dbraw/zinc/06/47/84/396064784.db2.gz RSBHRCJLGDBYDC-ZDUSSCGKSA-N 1 0 310.361 0.979 50 0 DCAARO COCCCNC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(C)=O ZINC000069705832 396087907 /nfs/dbraw/zinc/08/79/07/396087907.db2.gz XVNVWOKZAYTFST-LSDHHAIUSA-N 1 0 311.426 0.614 50 0 DCAARO CCN1CCO[C@@H](C[NH2+]Cc2cnc(N3CCOCC3)nc2)C1 ZINC000069780274 396090548 /nfs/dbraw/zinc/09/05/48/396090548.db2.gz UFONSVMKDIXIGX-HNNXBMFYSA-N 1 0 321.425 0.124 50 0 DCAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)C[C@@H](C)O1 ZINC000069815084 396091171 /nfs/dbraw/zinc/09/11/71/396091171.db2.gz LNZZAZUYWLYDNH-KFWWJZLASA-N 1 0 321.425 0.626 50 0 DCAARO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000069872874 396093157 /nfs/dbraw/zinc/09/31/57/396093157.db2.gz HWQJZPWFHWLPNM-AWEZNQCLSA-N 1 0 303.410 1.000 50 0 DCAARO Cc1cnn(C[C@H]2CCC[N@H+]2CC(=O)N2CCO[C@H](C)C2)c1 ZINC000069928722 396095290 /nfs/dbraw/zinc/09/52/90/396095290.db2.gz RIKUNXFWGOREDD-HUUCEWRRSA-N 1 0 306.410 0.903 50 0 DCAARO Cn1cc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000069931887 396095650 /nfs/dbraw/zinc/09/56/50/396095650.db2.gz ZABRKGGIABKSCC-AWEZNQCLSA-N 1 0 321.425 0.674 50 0 DCAARO O[C@H](CN1CCOCC1)C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000069950186 396096539 /nfs/dbraw/zinc/09/65/39/396096539.db2.gz VKGPXTOMZOFCAG-JKSUJKDBSA-N 1 0 308.426 0.431 50 0 DCAARO Cc1cc(NC(=O)CC[NH2+][C@@H]2CCc3nc(C)nn3C2)no1 ZINC000069950663 396096603 /nfs/dbraw/zinc/09/66/03/396096603.db2.gz DOTCTULFAZGOSM-LLVKDONJSA-N 1 0 304.354 0.816 50 0 DCAARO COCC(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000071315042 396112714 /nfs/dbraw/zinc/11/27/14/396112714.db2.gz WBDRLVKDMYGHTL-KRWDZBQOSA-N 1 0 323.437 0.474 50 0 DCAARO CO[C@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)CC[C@H]1[NH3+] ZINC000071762075 396114683 /nfs/dbraw/zinc/11/46/83/396114683.db2.gz MKICTGFHDVBZND-DOMZBBRYSA-N 1 0 306.362 0.923 50 0 DCAARO COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000071812673 396115866 /nfs/dbraw/zinc/11/58/66/396115866.db2.gz KBCIGGVNTRDWIF-ZDUSSCGKSA-N 1 0 305.378 0.256 50 0 DCAARO CC1(C)NC(=O)N(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000071825011 396117076 /nfs/dbraw/zinc/11/70/76/396117076.db2.gz ZZLYDPDBPIMEBA-CQSZACIVSA-N 1 0 317.389 0.736 50 0 DCAARO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(N(C)C)nc2)CC1 ZINC000071841806 396118426 /nfs/dbraw/zinc/11/84/26/396118426.db2.gz RRGVPTPATNBUIA-CQSZACIVSA-N 1 0 319.453 0.903 50 0 DCAARO C[NH+](C)C[C@H]1CN(CC(=O)NCCc2ccc(F)cc2)CCO1 ZINC000071878880 396122197 /nfs/dbraw/zinc/12/21/97/396122197.db2.gz RUQWQWOOHNDVDD-INIZCTEOSA-N 1 0 323.412 0.747 50 0 DCAARO O=C(CCC(=O)N1CCCCCC1)NC[C@@H]1CC[NH2+]C[C@H]1O ZINC000072123914 396127200 /nfs/dbraw/zinc/12/72/00/396127200.db2.gz ILSCCUAVEQECNZ-UONOGXRCSA-N 1 0 311.426 0.256 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2cccnc2)CC[N@@H+]1C[C@@H](C)O ZINC000072279816 396128841 /nfs/dbraw/zinc/12/88/41/396128841.db2.gz WDKJUTQEDDIQNB-HIFRSBDPSA-N 1 0 306.410 0.797 50 0 DCAARO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069455107 396078866 /nfs/dbraw/zinc/07/88/66/396078866.db2.gz JUOBMIYVMTXKKS-MELADBBJSA-N 1 0 311.451 0.993 50 0 DCAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000075132395 396176914 /nfs/dbraw/zinc/17/69/14/396176914.db2.gz OCWLIKNSSDFOEP-GFCCVEGCSA-N 1 0 305.382 0.726 50 0 DCAARO COc1ccc(-n2nnc(C(=O)N3CC[NH2+]CC3)c2C)cc1 ZINC000178342545 396194159 /nfs/dbraw/zinc/19/41/59/396194159.db2.gz WJSRYAXFHPEJHB-UHFFFAOYSA-N 1 0 301.350 0.630 50 0 DCAARO CC[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000076058360 396194772 /nfs/dbraw/zinc/19/47/72/396194772.db2.gz QHLODQSUAKNYLR-GXFFZTMASA-N 1 0 311.407 0.404 50 0 DCAARO Cn1cc(CC[N@@H+]2CCC[C@H]([C@]3(C)NC(=O)N(C)C3=O)C2)cn1 ZINC000076058822 396195161 /nfs/dbraw/zinc/19/51/61/396195161.db2.gz BCHCLJQDSGPWNI-BBRMVZONSA-N 1 0 319.409 0.615 50 0 DCAARO O[C@@]1(CN2CCC(Oc3cccnc3)CC2)C[NH2+]CCOC1 ZINC000077338213 396219500 /nfs/dbraw/zinc/21/95/00/396219500.db2.gz JHUDQUBQCDNQGO-MRXNPFEDSA-N 1 0 307.394 0.276 50 0 DCAARO CSc1nccc(N2CCOC[C@](O)(C[NH+]3CCCC3)C2)n1 ZINC000077385471 396220411 /nfs/dbraw/zinc/22/04/11/396220411.db2.gz IAIOOFGSKIOFIA-HNNXBMFYSA-N 1 0 324.450 0.862 50 0 DCAARO NC(=O)c1cccnc1N1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077489513 396224345 /nfs/dbraw/zinc/22/43/45/396224345.db2.gz UQFZRCZSDLWULM-MRXNPFEDSA-N 1 0 304.394 0.608 50 0 DCAARO CSCCC[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC000077521550 396225025 /nfs/dbraw/zinc/22/50/25/396225025.db2.gz CVMOVTHJLKOJAR-DGCLKSJQSA-N 1 0 310.423 0.395 50 0 DCAARO [NH3+]CCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)nn1 ZINC000077565440 396226467 /nfs/dbraw/zinc/22/64/67/396226467.db2.gz WDHIURMXAZOBCI-UHFFFAOYSA-N 1 0 318.356 0.338 50 0 DCAARO O=c1c2nccnc2ncn1C[C@H](O)C[NH+]1CCCCCC1 ZINC000584887927 396633170 /nfs/dbraw/zinc/63/31/70/396633170.db2.gz WTJXMQVHLGKGSD-GFCCVEGCSA-N 1 0 303.366 0.423 50 0 DCAARO C[C@@H](CNS(=O)(=O)C1CC1)[NH2+]CCc1cn2ccccc2n1 ZINC000584892829 396634058 /nfs/dbraw/zinc/63/40/58/396634058.db2.gz JLHCSGUXLNFOKR-LBPRGKRZSA-N 1 0 322.434 0.937 50 0 DCAARO CN(CC(=O)NCc1nc(C(C)(C)C)no1)C1CC[NH2+]CC1 ZINC000584900120 396636425 /nfs/dbraw/zinc/63/64/25/396636425.db2.gz UVYBSCPIXQJPQG-UHFFFAOYSA-N 1 0 309.414 0.667 50 0 DCAARO C[NH+](C)[C@H]1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C[C@@H]1O ZINC000584901338 396637089 /nfs/dbraw/zinc/63/70/89/396637089.db2.gz CMTBAAYKGIGVDX-GJZGRUSLSA-N 1 0 323.437 0.158 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)C[C@H]2C)CC1 ZINC000299754159 396714469 /nfs/dbraw/zinc/71/44/69/396714469.db2.gz IOTZDPAQXYFIAN-RRCSTGOVSA-N 1 0 323.437 0.565 50 0 DCAARO C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000375855952 396834125 /nfs/dbraw/zinc/83/41/25/396834125.db2.gz DMDVOMOFSWVVDX-LUGNKYPNSA-N 1 0 323.437 0.611 50 0 DCAARO O=C(CN1CC(=O)NC1=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172415506 158393959 /nfs/dbraw/zinc/39/39/59/158393959.db2.gz HJFBMIWAJHSVAR-UHFFFAOYSA-N 1 0 308.382 0.015 50 0 DCAARO CSCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000130994322 196130649 /nfs/dbraw/zinc/13/06/49/196130649.db2.gz GSNQLWAUGUDPRE-CQSZACIVSA-N 1 0 308.451 0.806 50 0 DCAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)N1CCNC(=O)C1 ZINC000025359667 415160883 /nfs/dbraw/zinc/16/08/83/415160883.db2.gz XPTPXLLHQQSTAF-OAHLLOKOSA-N 1 0 301.390 0.652 50 0 DCAARO C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)N(C)CC2CC2)CC1 ZINC000332181680 415281341 /nfs/dbraw/zinc/28/13/41/415281341.db2.gz WRZGGBDOQFZPNZ-GFCCVEGCSA-N 1 0 319.471 0.350 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000044894749 415227612 /nfs/dbraw/zinc/22/76/12/415227612.db2.gz DLYDREVYWJYGTP-CYBMUJFWSA-N 1 0 317.455 0.259 50 0 DCAARO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 ZINC000044893469 415229679 /nfs/dbraw/zinc/22/96/79/415229679.db2.gz SIIJOBWVYGIHCG-UHFFFAOYSA-N 1 0 317.349 0.709 50 0 DCAARO C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCN2c2cccnn2)CCO1 ZINC000075128860 415439288 /nfs/dbraw/zinc/43/92/88/415439288.db2.gz HIQSZBLUQHIAEJ-ZIAGYGMSSA-N 1 0 319.409 0.282 50 0 DCAARO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075200456 415442736 /nfs/dbraw/zinc/44/27/36/415442736.db2.gz LDRVMZGPYUMUHP-ZDUSSCGKSA-N 1 0 302.440 0.802 50 0 DCAARO Cc1cc(C)n2c(nnc2C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000077454426 415460726 /nfs/dbraw/zinc/46/07/26/415460726.db2.gz HWTIFUSRDBOWAX-NWDGAFQWSA-N 1 0 300.366 0.517 50 0 DCAARO CCOC(=O)[C@@H]1CN(c2nc(N)[nH+]c(CC)c2C)CCC1=O ZINC000095360487 415552560 /nfs/dbraw/zinc/55/25/60/415552560.db2.gz MHHBCOFEIQLTCQ-SNVBAGLBSA-N 1 0 306.366 0.888 50 0 DCAARO CNC(=O)c1noc(CNC(=O)CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000095354311 415553017 /nfs/dbraw/zinc/55/30/17/415553017.db2.gz YCWALJVYQARNCV-JTQLQIEISA-N 1 0 309.370 0.167 50 0 DCAARO CC[NH+]1CCC(CC(=O)NCCc2nc(O)cc(=O)[nH]2)CC1 ZINC000095366350 415553074 /nfs/dbraw/zinc/55/30/74/415553074.db2.gz ZGVDQJWPDVJVID-UHFFFAOYSA-N 1 0 308.382 0.256 50 0 DCAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCCc2cc(=O)[nH]c(C)n2)C1 ZINC000095363460 415553450 /nfs/dbraw/zinc/55/34/50/415553450.db2.gz VYIMZCUBASSPET-MRXNPFEDSA-N 1 0 306.410 0.859 50 0 DCAARO CN(C)c1nccnc1N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000095380783 415557158 /nfs/dbraw/zinc/55/71/58/415557158.db2.gz YIPVHNIGDSDQPG-CQSZACIVSA-N 1 0 305.426 0.968 50 0 DCAARO Cc1n[nH]c(C)c1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000095382223 415558505 /nfs/dbraw/zinc/55/85/05/415558505.db2.gz LBPUCMZNKUNPFW-LBPRGKRZSA-N 1 0 307.398 0.053 50 0 DCAARO O=C(NCCN1CCNC1=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095386340 415559703 /nfs/dbraw/zinc/55/97/03/415559703.db2.gz ZQMRHBULHVOTBZ-UHFFFAOYSA-N 1 0 320.393 0.633 50 0 DCAARO CN(C)c1ccncc1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000097115677 415588318 /nfs/dbraw/zinc/58/83/18/415588318.db2.gz PLIVMQWXOFZCQO-UHFFFAOYSA-N 1 0 300.428 0.565 50 0 DCAARO CCCOCCN1CC[NH+](C[C@H]2[C@@H]3CN(C(C)=O)C[C@H]23)CC1 ZINC000102771118 415598688 /nfs/dbraw/zinc/59/86/88/415598688.db2.gz UPHYNCLWAWURGK-OSYLJGHBSA-N 1 0 309.454 0.755 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)Cn2cccn2)C1 ZINC000107573675 415667974 /nfs/dbraw/zinc/66/79/74/415667974.db2.gz MITDBDPRNMGZKN-HUUCEWRRSA-N 1 0 323.441 0.928 50 0 DCAARO O=C(NCCc1cnn(-c2ccccc2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000150864485 196596391 /nfs/dbraw/zinc/59/63/91/196596391.db2.gz OQOQGQWZUYNAPB-LSDHHAIUSA-N 1 0 300.362 0.254 50 0 DCAARO COc1ccc(CN2CCN(C(=O)[C@H]3C=CC[NH2+]3)CC2=O)cc1 ZINC000299756557 416064114 /nfs/dbraw/zinc/06/41/14/416064114.db2.gz HCBZWZCKMYPLBK-OAHLLOKOSA-N 1 0 315.373 0.394 50 0 DCAARO CNC(=O)c1noc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC000299770353 416065255 /nfs/dbraw/zinc/06/52/55/416065255.db2.gz QHLCGDFGGIGLDH-JTQLQIEISA-N 1 0 309.370 0.310 50 0 DCAARO COC(=O)CCNC(=O)c1nn(CC2CC2)c2c1C[NH2+]CC2 ZINC000299773730 416066182 /nfs/dbraw/zinc/06/61/82/416066182.db2.gz FKFSEIYZLACWGK-UHFFFAOYSA-N 1 0 306.366 0.232 50 0 DCAARO COc1cc2c(cc1CNC(=O)[C@@H]1C[NH2+]CCO1)OCCO2 ZINC000299776226 416067635 /nfs/dbraw/zinc/06/76/35/416067635.db2.gz MFWBTQPRESMOLI-AWEZNQCLSA-N 1 0 308.334 0.071 50 0 DCAARO C[NH+]1CCC(NC(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000171003269 416036098 /nfs/dbraw/zinc/03/60/98/416036098.db2.gz ATISERSZPGOCNN-UHFFFAOYSA-N 1 0 304.398 0.402 50 0 DCAARO C[C@H](CNS(=O)(=O)N1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000252513323 416334632 /nfs/dbraw/zinc/33/46/32/416334632.db2.gz YHEABSAPVWVBMY-CHWSQXEVSA-N 1 0 305.444 0.416 50 0 DCAARO Fc1ccccc1[C@H]1COc2c(CN3CC[NH2+]CC3)nnn2C1 ZINC000263615167 416338285 /nfs/dbraw/zinc/33/82/85/416338285.db2.gz AZIMNFDFYYZGHZ-GFCCVEGCSA-N 1 0 317.368 0.999 50 0 DCAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1c[nH]nc1C ZINC000241144891 416329915 /nfs/dbraw/zinc/32/99/15/416329915.db2.gz JTYPYVHDKCWGFE-DGCLKSJQSA-N 1 0 300.428 0.868 50 0 DCAARO CN1CC[N@H+](C)[C@@H](CC(=O)NCCCNc2cccnc2)C1 ZINC000244601863 416330505 /nfs/dbraw/zinc/33/05/05/416330505.db2.gz DTCYMLNSZWFNQT-HNNXBMFYSA-N 1 0 305.426 0.636 50 0 DCAARO COCCn1cnnc1CCNC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000244701030 416330764 /nfs/dbraw/zinc/33/07/64/416330764.db2.gz JYSHKEYRHSFQGT-ZDUSSCGKSA-N 1 0 309.414 0.315 50 0 DCAARO CN1CC[C@@H]([N@H+](C)CCC(=O)NCC2(Cn3cccn3)CC2)C1 ZINC000244646924 416331000 /nfs/dbraw/zinc/33/10/00/416331000.db2.gz GRTWKZHHZJUYNG-OAHLLOKOSA-N 1 0 319.453 0.806 50 0 DCAARO Nc1nc(CNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)cs1 ZINC000426674079 416776706 /nfs/dbraw/zinc/77/67/06/416776706.db2.gz BZHFXFULZICKSR-SNVBAGLBSA-N 1 0 320.422 0.705 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000521332210 417001537 /nfs/dbraw/zinc/00/15/37/417001537.db2.gz NCUBJJDAXZMQAG-SNVBAGLBSA-N 1 0 306.370 0.592 50 0 DCAARO Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647885602 418070214 /nfs/dbraw/zinc/07/02/14/418070214.db2.gz YOOZZZWASFKRLZ-RYUDHWBXSA-N 1 0 302.371 0.430 50 0 DCAARO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299753208 229397660 /nfs/dbraw/zinc/39/76/60/229397660.db2.gz XGVXQWDQKDSOCF-CQDKDKBSSA-N 1 0 307.369 0.491 50 0 DCAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(OCCc2ccccc2)CC1 ZINC000299753458 229397978 /nfs/dbraw/zinc/39/79/78/229397978.db2.gz YHAZLQRRJGTPSD-RDJZCZTQSA-N 1 0 318.417 0.960 50 0 DCAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH2+]CC2 ZINC000299760411 229405821 /nfs/dbraw/zinc/40/58/21/229405821.db2.gz GNCYUBRLUYJMJL-UHFFFAOYSA-N 1 0 318.377 0.614 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1[nH]nc2ncccc21 ZINC000049550330 276171126 /nfs/dbraw/zinc/17/11/26/276171126.db2.gz YQLUOSBHXBVXBQ-SNVBAGLBSA-N 1 0 316.365 0.497 50 0 DCAARO CC(=O)N1CCCc2ccc(S(=O)(=O)N3CC[C@H]([NH3+])C3)cc21 ZINC000236574442 276986347 /nfs/dbraw/zinc/98/63/47/276986347.db2.gz XBDBVAKKLGLQFC-ZDUSSCGKSA-N 1 0 323.418 0.707 50 0 DCAARO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5 ZINC000003875483 277161461 /nfs/dbraw/zinc/16/14/61/277161461.db2.gz UQCNKQCJZOAFTQ-ISWURRPUSA-N 1 0 301.342 0.745 50 0 fda DCAARO CC(C)CN1CC2(CC1=O)CCN(C(=O)[C@@H]1C[NH2+]CCO1)CC2 ZINC000095367534 278867299 /nfs/dbraw/zinc/86/72/99/278867299.db2.gz RQPHOEMIILPCQR-AWEZNQCLSA-N 1 0 323.437 0.472 50 0 DCAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCOC[C@H]2C)CC1 ZINC000096444050 279358268 /nfs/dbraw/zinc/35/82/68/279358268.db2.gz HDDHGXNHLLGRDY-LSDHHAIUSA-N 1 0 312.458 0.690 50 0 DCAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000188128346 288190270 /nfs/dbraw/zinc/19/02/70/288190270.db2.gz JJEQNEGSXYMHMX-APIJFGDWSA-N 1 0 311.426 0.075 50 0 DCAARO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCN2C(=O)NC[C@@H]2C1 ZINC000095962707 280154431 /nfs/dbraw/zinc/15/44/31/280154431.db2.gz ILHVLGBEXZTQOW-OCCSQVGLSA-N 1 0 300.362 0.109 50 0 DCAARO Cc1nc2c(cnn2C)c(N[C@H]2COC[C@@H]2[NH+]2CCCC2)n1 ZINC000072174209 282020189 /nfs/dbraw/zinc/02/01/89/282020189.db2.gz IGUFEXWUANXBSS-STQMWFEESA-N 1 0 302.382 0.947 50 0 DCAARO Cc1nc2c(c(C)n1)C[C@@H](CN1CC3(CC[NH2+]CC3)OC1=O)O2 ZINC000095523609 293402568 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O=S(=O)(N1CC[C@H]2C[NH2+]C[C@H]21)N1CCc2ccccc2C1 ZINC000036265740 337747081 /nfs/dbraw/zinc/74/70/81/337747081.db2.gz LDIPIAZMDVXXMO-DZGCQCFKSA-N 1 0 307.419 0.583 50 0 DCAARO COCCOc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000156107913 524051166 /nfs/dbraw/zinc/05/11/66/524051166.db2.gz QMSBCRWHYGTNDU-LBPRGKRZSA-N 1 0 314.407 0.824 50 0 DCAARO COc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])cc1OC ZINC000156102851 525031052 /nfs/dbraw/zinc/03/10/52/525031052.db2.gz RKCQBGCSUCIEOV-SNVBAGLBSA-N 1 0 300.380 0.816 50 0 DCAARO O=C(NCc1cccc(N2CCCC2=O)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000151680810 545818237 /nfs/dbraw/zinc/81/82/37/545818237.db2.gz SXBLCTCVWLIGOK-KBPBESRZSA-N 1 0 303.362 0.152 50 0 DCAARO CN(C1CCOCC1)S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000257365489 545975923 /nfs/dbraw/zinc/97/59/23/545975923.db2.gz CILAPZVTUYFQKM-ZDUSSCGKSA-N 1 0 303.428 0.122 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)N2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000670454424 547097943 /nfs/dbraw/zinc/09/79/43/547097943.db2.gz YWQZIPYWMCFYQC-UHFFFAOYSA-N 1 0 322.453 0.095 50 0 DCAARO C[C@H](Cn1cccn1)[NH2+]C1CCN(C(=O)N2CCOCC2)CC1 ZINC000670471127 547100936 /nfs/dbraw/zinc/10/09/36/547100936.db2.gz BCLZBXPWWBRGCJ-CQSZACIVSA-N 1 0 321.425 0.778 50 0 DCAARO CN1C[C@H](CNC(=O)CCC[NH+]2CCCCCC2)OCC1=O ZINC000670472678 547101429 /nfs/dbraw/zinc/10/14/29/547101429.db2.gz VEWQLPDJVKHZPZ-AWEZNQCLSA-N 1 0 311.426 0.616 50 0 DCAARO OCc1nc(CC[NH2+]C2CCN(Cc3ccco3)CC2)no1 ZINC000670473771 547103108 /nfs/dbraw/zinc/10/31/08/547103108.db2.gz SXLXTPAWIPSTKJ-UHFFFAOYSA-N 1 0 306.366 0.952 50 0 DCAARO C[C@@H](NC(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1)c1nncn1C ZINC000685942497 548747834 /nfs/dbraw/zinc/74/78/34/548747834.db2.gz RQJPXAKYNVARST-SNVBAGLBSA-N 1 0 317.397 0.838 50 0 DCAARO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc2c(c1)OCO2 ZINC000206610337 563621516 /nfs/dbraw/zinc/62/15/16/563621516.db2.gz HEYZZPNPAHJHNK-UHFFFAOYSA-N 1 0 307.350 0.994 50 0 DCAARO CN(C)c1ccnc(C(=O)N2CC3(C[NH2+]C3)OC(C)(C)C2)c1 ZINC000888096552 661174055 /nfs/dbraw/zinc/17/40/55/661174055.db2.gz ISKJARQQUWARFK-UHFFFAOYSA-N 1 0 304.394 0.741 50 0 DCAARO COC[C@@]1(C(=O)N2CCN(Cc3cccnc3)CC2)CC[NH2+]C1 ZINC000261847807 658427621 /nfs/dbraw/zinc/42/76/21/658427621.db2.gz JELCVHJAEBKSBT-QGZVFWFLSA-N 1 0 318.421 0.352 50 0 DCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc2nnnn2c1 ZINC000426505844 661606577 /nfs/dbraw/zinc/60/65/77/661606577.db2.gz QEWOAHFDECCCEU-STQMWFEESA-N 1 0 316.365 0.107 50 0 DCAARO Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)c1 ZINC000014732522 662650696 /nfs/dbraw/zinc/65/06/96/662650696.db2.gz BSJARMZTBHWQEU-OSMZGAPFSA-N 1 0 305.353 0.712 50 0 DCAARO Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000585086249 662948160 /nfs/dbraw/zinc/94/81/60/662948160.db2.gz WVRVEVBGLJGZCT-CMPLNLGQSA-N 1 0 300.428 0.750 50 0 DCAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC[C@H]1CO ZINC000864094419 667214467 /nfs/dbraw/zinc/21/44/67/667214467.db2.gz UZKMTWSPAZTXDK-HZPDHXFCSA-N 1 0 319.405 0.664 50 0 DCAARO CSc1cccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)c1 ZINC000014531787 685048168 /nfs/dbraw/zinc/04/81/68/685048168.db2.gz WLAHIOABKOXZCG-OSMZGAPFSA-N 1 0 319.430 0.986 50 0 DCAARO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](C)C(=O)N3C2)c1 ZINC000014742578 685049184 /nfs/dbraw/zinc/04/91/84/685049184.db2.gz XELMPUYSHYUYQP-QEJZJMRPSA-N 1 0 301.390 0.881 50 0 DCAARO O=C1CCCN1C[C@@H](O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000111683163 685115078 /nfs/dbraw/zinc/11/50/78/685115078.db2.gz WJABYDNEUWOPGI-INIZCTEOSA-N 1 0 319.405 0.498 50 0 DCAARO COc1nc(N2CCN(c3cc(C)[nH+]c(N)n3)CC2)ncc1F ZINC001772708357 1157844512 /nfs/dbraw/zinc/84/45/12/1157844512.db2.gz ARLWLGCPGANTGD-UHFFFAOYSA-N 1 0 319.344 0.632 50 0 DCAARO O=C(C1CCCC1)N1CCC2(C[C@@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000581811478 747698003 /nfs/dbraw/zinc/69/80/03/747698003.db2.gz FIEFYHDQFSBPRN-CQSZACIVSA-N 1 0 305.422 0.990 50 0 DCAARO CCOc1ccc(CCCNC(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000823375135 758241040 /nfs/dbraw/zinc/24/10/40/758241040.db2.gz BJUFTTUJVJNBNW-HUUCEWRRSA-N 1 0 307.394 0.650 50 0 DCAARO COC[C@@H]1CCCN1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000824370918 758770575 /nfs/dbraw/zinc/77/05/75/758770575.db2.gz BGUSQOYFMBBKKK-AWEZNQCLSA-N 1 0 319.471 0.616 50 0 DCAARO O=S1(=O)CCC(N2CCC([NH2+][C@@H]3CCOC3)CC2)CC1 ZINC000828395430 759001566 /nfs/dbraw/zinc/00/15/66/759001566.db2.gz CUALZQOJMSNIDE-CYBMUJFWSA-N 1 0 302.440 0.407 50 0 DCAARO Nc1ccc(O)cc1C(=O)NCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000828711094 759074639 /nfs/dbraw/zinc/07/46/39/759074639.db2.gz DJRIBKKRPXMSDU-GFCCVEGCSA-N 1 0 307.394 0.799 50 0 DCAARO O=c1ccc(C2CC2)nn1CC1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000585505339 768082973 /nfs/dbraw/zinc/08/29/73/768082973.db2.gz PAVQVQSGRLDRRH-CVEARBPZSA-N 1 0 319.405 0.592 50 0 DCAARO O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000585121555 766286563 /nfs/dbraw/zinc/28/65/63/766286563.db2.gz SAFGIABJHDHUHU-CQSZACIVSA-N 1 0 305.422 0.847 50 0 DCAARO Cc1csc(CCNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952869315 768925298 /nfs/dbraw/zinc/92/52/98/768925298.db2.gz HEBBECBOIYTWPE-NSHDSACASA-N 1 0 310.423 0.308 50 0 DCAARO COCCN1C[C@@H](C(=O)NC2(C[NH+]3CCCCC3)CC2)CC1=O ZINC000952869812 768926084 /nfs/dbraw/zinc/92/60/84/768926084.db2.gz PPFOBMYLHXDPAT-AWEZNQCLSA-N 1 0 323.437 0.616 50 0 DCAARO CC[C@@H](C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2)[N@H+](C)CC ZINC000952872225 768934774 /nfs/dbraw/zinc/93/47/74/768934774.db2.gz LQLRSDLSBORDGH-LBPRGKRZSA-N 1 0 309.410 0.762 50 0 DCAARO C[NH2+]C[C@@H](O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000952878121 768941922 /nfs/dbraw/zinc/94/19/22/768941922.db2.gz ZFEJRBHOHAJHPX-CYBMUJFWSA-N 1 0 304.394 0.959 50 0 DCAARO Cc1cnc(C[N@H+]2CCC[C@H](c3nnc(CO)n3C)C2)cn1 ZINC001529142488 1014505075 /nfs/dbraw/zinc/50/50/75/1014505075.db2.gz OZAKJPUHIOQDSE-LBPRGKRZSA-N 1 0 302.382 0.785 50 0 DCAARO CCN(CCn1cccn1)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)[NH2+]2 ZINC000095530522 185378808 /nfs/dbraw/zinc/37/88/08/185378808.db2.gz NJWGASMGIHFAOW-KGLIPLIRSA-N 1 0 319.409 0.085 50 0 DCAARO Cc1cc(C)n2nc(CC(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)nc2n1 ZINC000082126251 192359746 /nfs/dbraw/zinc/35/97/46/192359746.db2.gz AWWNBTHXDLAXNW-QWRGUYRKSA-N 1 0 306.345 0.100 50 0 DCAARO Cn1cnnc1C1CCN(Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072129129 191042842 /nfs/dbraw/zinc/04/28/42/191042842.db2.gz FPHWKMSEPUMCEP-UHFFFAOYSA-N 1 0 301.398 0.494 50 0 DCAARO C[NH+](C)C[C@]1(O)CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000072128054 191042990 /nfs/dbraw/zinc/04/29/90/191042990.db2.gz NPKHCZMLXMXWIL-MRXNPFEDSA-N 1 0 306.362 0.483 50 0 DCAARO CC(C)c1nc2c(cnn2C)c(NC[C@@H]2CC[NH2+]C[C@H]2O)n1 ZINC000072156266 191059319 /nfs/dbraw/zinc/05/93/19/191059319.db2.gz ZMDWJYQGBKPPQO-CMPLNLGQSA-N 1 0 304.398 0.869 50 0 DCAARO [NH3+]CC[C@H]1CN(c2cnn(CCC(F)(F)F)c(=O)c2)CCO1 ZINC000072163914 191063811 /nfs/dbraw/zinc/06/38/11/191063811.db2.gz RGOGTDPRRQFMTJ-NSHDSACASA-N 1 0 320.315 0.750 50 0 DCAARO CCc1cc(Cn2ncc(N3CCC[N@H+](C)CC3)cc2=O)on1 ZINC000072169383 191068412 /nfs/dbraw/zinc/06/84/12/191068412.db2.gz INIOPEBFCVYVEV-UHFFFAOYSA-N 1 0 317.393 0.984 50 0 DCAARO CN(CC(=O)N1CC[C@](O)(C[NH+](C)C)C1)Cc1ccncc1 ZINC000072168730 191068546 /nfs/dbraw/zinc/06/85/46/191068546.db2.gz ZEXXKFFFPBFWGU-INIZCTEOSA-N 1 0 306.410 0.038 50 0 DCAARO CCc1ccc(CN2CC[NH2+][C@H](C(=O)N3CCN(C)CC3)C2)o1 ZINC000072169274 191068574 /nfs/dbraw/zinc/06/85/74/191068574.db2.gz URAJCYVDOKGVKW-INIZCTEOSA-N 1 0 320.437 0.390 50 0 DCAARO Cn1cc(NC(=O)CN2CCC[C@@](O)(C[NH+](C)C)CC2)cn1 ZINC000072169642 191068828 /nfs/dbraw/zinc/06/88/28/191068828.db2.gz FQVPGTYDRWEDBD-HNNXBMFYSA-N 1 0 309.414 0.137 50 0 DCAARO C[NH+](C)CC(=O)N1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000072270839 191094290 /nfs/dbraw/zinc/09/42/90/191094290.db2.gz VWBZRHNCPGRJNQ-HNNXBMFYSA-N 1 0 309.385 0.565 50 0 DCAARO NC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000002871853 180965199 /nfs/dbraw/zinc/96/51/99/180965199.db2.gz QEJVEGOHVJSCJJ-UHFFFAOYSA-N 1 0 318.362 0.471 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C[C@@H]1[NH+](C)C ZINC000076050472 191561521 /nfs/dbraw/zinc/56/15/21/191561521.db2.gz NMJIPBLNHQYBOE-MXWKQRLJSA-N 1 0 321.343 0.806 50 0 DCAARO COCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000005304283 181228463 /nfs/dbraw/zinc/22/84/63/181228463.db2.gz QJSGSBCXIUOWKX-UHFFFAOYSA-N 1 0 302.758 0.949 50 0 DCAARO CCCN(CCC)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(S(C)(=O)=O)C2 ZINC000065385271 283206314 /nfs/dbraw/zinc/20/63/14/283206314.db2.gz LMDODLDYCNLDGD-TZMCWYRMSA-N 1 0 317.455 0.116 50 0 DCAARO CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000237393165 202253807 /nfs/dbraw/zinc/25/38/07/202253807.db2.gz INCHAXCUFFXMOX-OLZOCXBDSA-N 1 0 311.407 0.227 50 0 DCAARO O=C(Nc1cccc(-c2c[nH]cn2)c1)N[C@@H]1C[NH2+]CC[C@H]1O ZINC000426662338 240353732 /nfs/dbraw/zinc/35/37/32/240353732.db2.gz UDOAUWFZJNRHSB-ZIAGYGMSSA-N 1 0 301.350 0.921 50 0 DCAARO Cc1ccccc1[C@@H](CC(=O)N1CC[NH2+][C@H](C)C1)NC(N)=O ZINC000188373268 200236179 /nfs/dbraw/zinc/23/61/79/200236179.db2.gz LASUMRJJNFQUQW-TZMCWYRMSA-N 1 0 304.394 0.915 50 0 DCAARO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237746833 202346649 /nfs/dbraw/zinc/34/66/49/202346649.db2.gz HBLZYNUPIIVKQN-SECBINFHSA-N 1 0 306.819 0.802 50 0 DCAARO COCc1ncn(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)n1 ZINC000244874310 202505589 /nfs/dbraw/zinc/50/55/89/202505589.db2.gz WYYOVFBLPLKWKS-MGCOHNPYSA-N 1 0 303.370 0.604 50 0 DCAARO CCC[C@H]1C[N@H+](CCCOC)C[C@@H]1NC(=O)c1cnc[nH]c1=O ZINC000091486929 193063220 /nfs/dbraw/zinc/06/32/20/193063220.db2.gz CPOBIPQRXLTVSM-JSGCOSHPSA-N 1 0 322.409 0.637 50 0 DCAARO CCc1nccn1CCC(=O)N1C[C@H](CO)C[C@H](C[NH+](C)C)C1 ZINC000091738211 193099777 /nfs/dbraw/zinc/09/97/77/193099777.db2.gz VUCPBMZPMOWCOK-HUUCEWRRSA-N 1 0 322.453 0.854 50 0 DCAARO CN(C)CC[N@H+](C)C[C@@H]1CN(C(=O)N2CCCC2)C[C@@H]1CO ZINC000092003577 193139549 /nfs/dbraw/zinc/13/95/49/193139549.db2.gz RZRMEPNVUFLQSX-HUUCEWRRSA-N 1 0 312.458 0.236 50 0 DCAARO [NH3+]C1CC(c2cc(NCC3CCS(=O)(=O)CC3)ncn2)C1 ZINC000223292667 201640418 /nfs/dbraw/zinc/64/04/18/201640418.db2.gz PIITVIORNGLDIU-UHFFFAOYSA-N 1 0 310.423 0.918 50 0 DCAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c[nH]nc2c1 ZINC000009421546 181620210 /nfs/dbraw/zinc/62/02/10/181620210.db2.gz LYGXURQBINULBH-UHFFFAOYSA-N 1 0 303.366 0.959 50 0 DCAARO CC(=O)N(C)c1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000020419535 182215853 /nfs/dbraw/zinc/21/58/53/182215853.db2.gz WAAPKJFOCWCZCC-MRXNPFEDSA-N 1 0 321.421 0.656 50 0 DCAARO Cc1ccc(SCC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000023624158 182364727 /nfs/dbraw/zinc/36/47/27/182364727.db2.gz PRJIALPVMFQWQR-OLZOCXBDSA-N 1 0 301.433 0.835 50 0 DCAARO COCCOc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000036296921 182814412 /nfs/dbraw/zinc/81/44/12/182814412.db2.gz GFJLRCRERMYTME-GFCCVEGCSA-N 1 0 314.407 0.824 50 0 DCAARO O=C(Cn1cnnn1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000041909288 183224214 /nfs/dbraw/zinc/22/42/14/183224214.db2.gz HBMIKFUVTAKVSD-UHFFFAOYSA-N 1 0 300.366 0.408 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NCC2([NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000041630917 183212424 /nfs/dbraw/zinc/21/24/24/183212424.db2.gz OSAWKTGXKSZNGI-CHWSQXEVSA-N 1 0 319.471 0.804 50 0 DCAARO CC(C)[C@@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[NH+](C)C ZINC000044870149 183444436 /nfs/dbraw/zinc/44/44/36/183444436.db2.gz GVTVUWKGVHZKNS-QWHCGFSZSA-N 1 0 319.471 0.503 50 0 DCAARO CNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC000058134620 184079214 /nfs/dbraw/zinc/07/92/14/184079214.db2.gz WTMDAKCUKLYFDX-GFCCVEGCSA-N 1 0 324.450 0.752 50 0 DCAARO CC[NH+]1CCN(CCc2nc3c([nH]2)C(=O)NCC(C)(C)C3)CC1 ZINC000065409647 184340129 /nfs/dbraw/zinc/34/01/29/184340129.db2.gz KRVIMYQYGBQKAL-UHFFFAOYSA-N 1 0 319.453 0.902 50 0 DCAARO C[C@@H]([NH2+]CCNC(=O)c1cccnc1)C(=O)Nc1nccs1 ZINC000065424880 184342486 /nfs/dbraw/zinc/34/24/86/184342486.db2.gz VPOSHTCIQFSHIQ-SNVBAGLBSA-N 1 0 319.390 0.885 50 0 DCAARO C[NH+](C)Cc1ccccc1C(=O)N1CCN2CCNC(=O)[C@@H]2C1 ZINC000065470137 184350893 /nfs/dbraw/zinc/35/08/93/184350893.db2.gz HDCFUMSQIYGTGP-HNNXBMFYSA-N 1 0 316.405 0.004 50 0 DCAARO COc1cccc([C@H](CNC(=O)C2=NNC(=O)CC2)[NH+](C)C)c1 ZINC000065608062 184372314 /nfs/dbraw/zinc/37/23/14/184372314.db2.gz ZDGAJCIJEWTUEJ-AWEZNQCLSA-N 1 0 318.377 0.680 50 0 DCAARO CC[C@H]1CN(Cc2nc(CCOC)no2)CC[N@@H+]1C[C@H](C)O ZINC000247383723 256607845 /nfs/dbraw/zinc/60/78/45/256607845.db2.gz WGAMWMKEWXIOPE-STQMWFEESA-N 1 0 312.414 0.536 50 0 DCAARO COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000237249305 257239492 /nfs/dbraw/zinc/23/94/92/257239492.db2.gz DAHAQXJKTTXPDE-MLGOLLRUSA-N 1 0 319.405 0.563 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000237350295 257239496 /nfs/dbraw/zinc/23/94/96/257239496.db2.gz XMNYBODTCBBYMG-PPGNKHEKSA-N 1 0 323.418 0.558 50 0 DCAARO C[NH2+]Cc1nnc(SC[C@H]2CCCS(=O)(=O)C2)n1C ZINC000426715814 257243748 /nfs/dbraw/zinc/24/37/48/257243748.db2.gz CSTAZZZZEMFZDV-SECBINFHSA-N 1 0 304.441 0.451 50 0 DCAARO CN1C[C@H](NC(=O)Cc2cccc(OCC[NH3+])c2)CCC1=O ZINC000426548711 257246846 /nfs/dbraw/zinc/24/68/46/257246846.db2.gz AEIYJBARQYZMRY-CYBMUJFWSA-N 1 0 305.378 0.304 50 0 DCAARO O=C(C[N@H+]1CCC[C@H](c2ccn(CCO)n2)C1)N1CCCC1 ZINC000426549199 257247263 /nfs/dbraw/zinc/24/72/63/257247263.db2.gz SEFNRGBWTYOVSA-AWEZNQCLSA-N 1 0 306.410 0.677 50 0 DCAARO CN1CCN(CC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000426527939 257247405 /nfs/dbraw/zinc/24/74/05/257247405.db2.gz OZXVEXJLPPYGDF-UHFFFAOYSA-N 1 0 303.366 0.098 50 0 DCAARO Cc1cnc(CNC(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)cn1 ZINC000426533641 257247424 /nfs/dbraw/zinc/24/74/24/257247424.db2.gz AMNNJQOIZRZINS-ZDUSSCGKSA-N 1 0 314.393 0.765 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1onc2c1CCCC2 ZINC000426488130 257249136 /nfs/dbraw/zinc/24/91/36/257249136.db2.gz FRSJRRHUSSHGBS-CABZTGNLSA-N 1 0 306.366 0.231 50 0 DCAARO COc1ccc(C(=O)NC2(C(N)=O)CCCC2)cc1OCC[NH3+] ZINC000426471319 257249196 /nfs/dbraw/zinc/24/91/96/257249196.db2.gz GMPHYTDVUOVCIP-UHFFFAOYSA-N 1 0 321.377 0.561 50 0 DCAARO Cc1ccc(C(=O)NCCn2ccnn2)c(OCCC[NH3+])c1 ZINC000426477401 257249667 /nfs/dbraw/zinc/24/96/67/257249667.db2.gz NMYLODISALGILB-UHFFFAOYSA-N 1 0 303.366 0.744 50 0 DCAARO CC(C)c1noc(CNC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)n1 ZINC000426381435 257252711 /nfs/dbraw/zinc/25/27/11/257252711.db2.gz KOOYLEVTGGJBMT-RYUDHWBXSA-N 1 0 323.397 0.544 50 0 DCAARO c1cc2n(n1)C[C@H](C[NH2+]C1CCN(c3ncccn3)CC1)CN2 ZINC000069598153 285463041 /nfs/dbraw/zinc/46/30/41/285463041.db2.gz DTHYJYTVLJDVFO-CYBMUJFWSA-N 1 0 313.409 0.973 50 0 DCAARO Cc1cc(NC(=O)CCN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)no1 ZINC000284887111 131119628 /nfs/dbraw/zinc/11/96/28/131119628.db2.gz QYQIXKHMOVNMBK-OLZOCXBDSA-N 1 0 308.382 0.717 50 0 DCAARO CCOC(=O)c1noc2ncnc(N3CC[NH+](CC)CC3)c12 ZINC000015735173 395690220 /nfs/dbraw/zinc/69/02/20/395690220.db2.gz HWUYIWJGNGRBRX-UHFFFAOYSA-N 1 0 305.338 0.936 50 0 DCAARO NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000000119018 395679793 /nfs/dbraw/zinc/67/97/93/395679793.db2.gz QGRUAUFCYVMJJJ-GFCCVEGCSA-N 1 0 322.361 0.352 50 0 DCAARO COc1ccc(COC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000000119002 395679883 /nfs/dbraw/zinc/67/98/83/395679883.db2.gz PQCBOAUDHMHJNI-HNNXBMFYSA-N 1 0 322.405 0.770 50 0 DCAARO Cn1c(SCC[NH+]2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000351096 395680291 /nfs/dbraw/zinc/68/02/91/395680291.db2.gz TUTBTBLQEYITLX-UHFFFAOYSA-N 1 0 323.422 0.538 50 0 DCAARO C[NH+](C)CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O ZINC000003006068 395682219 /nfs/dbraw/zinc/68/22/19/395682219.db2.gz ZJNJUIYDSKPHFY-UHFFFAOYSA-N 1 0 314.389 0.978 50 0 DCAARO O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)NCc1ccccc1 ZINC000085436834 395700284 /nfs/dbraw/zinc/70/02/84/395700284.db2.gz JCELQGMZLRDHGR-QGZVFWFLSA-N 1 0 317.433 0.691 50 0 DCAARO CCS(=O)(=O)N1CCC(C[N@@H+]2CCN(C)C[C@@H]2C)CC1 ZINC000085468266 395701093 /nfs/dbraw/zinc/70/10/93/395701093.db2.gz NADQQTXIMDLNLZ-ZDUSSCGKSA-N 1 0 303.472 0.684 50 0 DCAARO C[N@H+](CCO)C[C@H]1COCCN1C(=O)Cc1ccc(F)cc1 ZINC000085470020 395701151 /nfs/dbraw/zinc/70/11/51/395701151.db2.gz KWDCCHFVVSSRED-HNNXBMFYSA-N 1 0 310.369 0.520 50 0 DCAARO Cc1ccn2cc(C(=O)NCCN3CC[NH+](C)CC3)nc2c1 ZINC000089700901 395714515 /nfs/dbraw/zinc/71/45/15/395714515.db2.gz BDRSEWDEBKSVJC-UHFFFAOYSA-N 1 0 301.394 0.620 50 0 DCAARO CC(C)[N@H+](CCNC(=O)N1CCN(C2CC2)C(=O)C1)C1CC1 ZINC000089869571 395715999 /nfs/dbraw/zinc/71/59/99/395715999.db2.gz GPYZHCKWRCFNCB-UHFFFAOYSA-N 1 0 308.426 0.875 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000089930503 395717300 /nfs/dbraw/zinc/71/73/00/395717300.db2.gz WCCWTWTVZRPQAJ-CHWSQXEVSA-N 1 0 308.382 0.014 50 0 DCAARO CC(=O)c1ccc(N2CC[C@H](C(=O)NCC[NH+](C)C)C2=O)cc1 ZINC000034695915 395718003 /nfs/dbraw/zinc/71/80/03/395718003.db2.gz OBMSGSIVRIOJIN-OAHLLOKOSA-N 1 0 317.389 0.920 50 0 DCAARO CS(=O)(=O)N1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000036324012 395723385 /nfs/dbraw/zinc/72/33/85/395723385.db2.gz LEKROJRFIPUDMH-UHFFFAOYSA-N 1 0 312.391 0.929 50 0 DCAARO O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037012562 395725595 /nfs/dbraw/zinc/72/55/95/395725595.db2.gz SABVTHQTVOYILS-RKDXNWHRSA-N 1 0 305.256 0.684 50 0 DCAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)Nc1cccc2n[nH]nc21 ZINC000096165856 395746567 /nfs/dbraw/zinc/74/65/67/395746567.db2.gz ANYJOQUWGZENKK-LLVKDONJSA-N 1 0 318.381 0.926 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2C[C@@H](O)CN2CCOCC2)n1 ZINC000106785706 395783572 /nfs/dbraw/zinc/78/35/72/395783572.db2.gz LPSVLSSURZZPFV-CVEARBPZSA-N 1 0 323.441 0.052 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)N2CCO[C@@H](C)C2)n1 ZINC000106664376 395784100 /nfs/dbraw/zinc/78/41/00/395784100.db2.gz DPNTWEFHROFVDW-SWLSCSKDSA-N 1 0 321.425 0.607 50 0 DCAARO CC(C)n1cncc1CN1CCN(CC[NH+](C)C)C[C@H](O)C1 ZINC000097756323 395760370 /nfs/dbraw/zinc/76/03/70/395760370.db2.gz IRXIFVVQWLQTTQ-INIZCTEOSA-N 1 0 309.458 0.504 50 0 DCAARO CCOC1CC(C[NH2+]Cc2cncn2C)(N2CCOCC2)C1 ZINC000195460774 395828007 /nfs/dbraw/zinc/82/80/07/395828007.db2.gz MZFYCKWENSHMKU-UHFFFAOYSA-N 1 0 308.426 0.780 50 0 DCAARO C[C@@H](CNC(=O)[C@@H](O)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000225420493 395859910 /nfs/dbraw/zinc/85/99/10/395859910.db2.gz HBIPPRCNMHDXKN-RDJZCZTQSA-N 1 0 319.449 0.590 50 0 DCAARO COCCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000050241774 395838094 /nfs/dbraw/zinc/83/80/94/395838094.db2.gz BPCUHHBDVBFGDR-LLVKDONJSA-N 1 0 300.380 0.434 50 0 DCAARO CCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)no1 ZINC000219916258 395847018 /nfs/dbraw/zinc/84/70/18/395847018.db2.gz JPFDGOFEICXQGP-TZMCWYRMSA-N 1 0 311.382 0.703 50 0 DCAARO CC(C)[C@@H](NC(=O)CC[NH+]1CCN(C)CC1)c1nccn1C ZINC000222378981 395852743 /nfs/dbraw/zinc/85/27/43/395852743.db2.gz GQYSJGWHDCSELW-OAHLLOKOSA-N 1 0 307.442 0.871 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000125017847 395902643 /nfs/dbraw/zinc/90/26/43/395902643.db2.gz OVJXTSDOCDBLOL-ZBFHGGJFSA-N 1 0 303.406 0.708 50 0 DCAARO Cc1cccc([C@H](CC(=O)N2CC[NH2+]C[C@@H]2C)NC(N)=O)c1 ZINC000125782191 395905585 /nfs/dbraw/zinc/90/55/85/395905585.db2.gz ZPTPZBRQMRUUMJ-JSGCOSHPSA-N 1 0 304.394 0.915 50 0 DCAARO C[NH+](C)CCN1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000055198551 395913727 /nfs/dbraw/zinc/91/37/27/395913727.db2.gz LVQBBRBVHVIZJV-UHFFFAOYSA-N 1 0 316.409 0.137 50 0 DCAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)C1=NNC(=O)CC1 ZINC000055358248 395918289 /nfs/dbraw/zinc/91/82/89/395918289.db2.gz BFIRGKIESOTDSZ-UHFFFAOYSA-N 1 0 308.407 0.904 50 0 DCAARO COCCn1c(Cn2cccc(C)c2=O)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244659476 395925219 /nfs/dbraw/zinc/92/52/19/395925219.db2.gz HDHWKRDTLLWTKE-JOCQHMNTSA-N 1 0 317.393 0.648 50 0 DCAARO Cc1cc[nH+]c(NCCNC(=O)CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000244874532 395926217 /nfs/dbraw/zinc/92/62/17/395926217.db2.gz XCYGPNLMRCNEBR-AWEZNQCLSA-N 1 0 305.426 0.554 50 0 DCAARO C[NH2+]CC1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000226732504 395867226 /nfs/dbraw/zinc/86/72/26/395867226.db2.gz KRNXEFJHFMEGLN-RYUDHWBXSA-N 1 0 305.444 0.272 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2cnc[nH]2)[C@@H](C)C1 ZINC000229309920 395873949 /nfs/dbraw/zinc/87/39/49/395873949.db2.gz FKAKSBACPDRJEI-WCQYABFASA-N 1 0 300.428 0.948 50 0 DCAARO C[C@H](CNC(=O)N[C@H](C)c1nncn1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000229814593 395876543 /nfs/dbraw/zinc/87/65/43/395876543.db2.gz KIUMMGJDGMFOEX-FVCCEPFGSA-N 1 0 324.429 0.673 50 0 DCAARO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000230104184 395878076 /nfs/dbraw/zinc/87/80/76/395878076.db2.gz SCCPGHDSNBTMEL-DOMZBBRYSA-N 1 0 319.380 0.789 50 0 DCAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC000248146522 395983977 /nfs/dbraw/zinc/98/39/77/395983977.db2.gz SAPATCDQEBCNPT-VXGBXAGGSA-N 1 0 303.428 0.011 50 0 DCAARO Cn1nccc1CC[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000253420722 396027858 /nfs/dbraw/zinc/02/78/58/396027858.db2.gz LDCNAMOKUGSKKX-UHFFFAOYSA-N 1 0 319.453 0.593 50 0 DCAARO Nc1nc(N2CC[NH+](CCCc3cccnc3)CC2)cc(=O)[nH]1 ZINC000253537233 396030495 /nfs/dbraw/zinc/03/04/95/396030495.db2.gz GDMNSPGLYNHWDR-UHFFFAOYSA-N 1 0 314.393 0.914 50 0 DCAARO Cc1c(CN2C[C@@H](CO)[C@H](NC(=O)C3CCC3)C2)cnn1C ZINC000257193580 396035511 /nfs/dbraw/zinc/03/55/11/396035511.db2.gz ZBAMKHMBCMEXAR-LSDHHAIUSA-N 1 0 306.410 0.438 50 0 DCAARO NC(=O)[C@@H]1CCCN(CC(=O)N=c2[nH]c3ccccc3[nH]2)C1 ZINC000067871810 396036799 /nfs/dbraw/zinc/03/67/99/396036799.db2.gz RYJOGHVFZZWFSX-SNVBAGLBSA-N 1 0 301.350 0.121 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCCc1ccc(OC)cc1 ZINC000067908793 396038625 /nfs/dbraw/zinc/03/86/25/396038625.db2.gz QRJLPGCSJNQYAC-ZFWWWQNUSA-N 1 0 319.405 0.692 50 0 DCAARO C[C@@H]1COCCN1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000257365505 396046945 /nfs/dbraw/zinc/04/69/45/396046945.db2.gz GJMNGNZVQPOBDA-UPJWGTAASA-N 1 0 303.428 0.120 50 0 DCAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N1CCOC[C@H]1C ZINC000257365575 396047088 /nfs/dbraw/zinc/04/70/88/396047088.db2.gz SZZASPHXKVHGJS-MCIONIFRSA-N 1 0 317.455 0.511 50 0 DCAARO CCc1nc(CN2CCC[C@H]([NH2+]CCS(C)(=O)=O)C2)no1 ZINC000069708230 396087993 /nfs/dbraw/zinc/08/79/93/396087993.db2.gz IJYJFDWLZCQYAZ-NSHDSACASA-N 1 0 316.427 0.231 50 0 DCAARO CN1CCO[C@@H](C[NH2+]CC(=O)NCCCc2ccccc2)C1 ZINC000069740495 396088835 /nfs/dbraw/zinc/08/88/35/396088835.db2.gz CKTGLIYKTLFOBS-INIZCTEOSA-N 1 0 305.422 0.656 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C[C@H](O)COc2ccc(F)cc2)CCO1 ZINC000069819107 396090896 /nfs/dbraw/zinc/09/08/96/396090896.db2.gz FXWJXDPHXCUOQR-GOEBONIOSA-N 1 0 312.385 0.828 50 0 DCAARO CC(C)(O)C[NH+]1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000069844212 396092307 /nfs/dbraw/zinc/09/23/07/396092307.db2.gz IYWYHVVFMDHTHH-UHFFFAOYSA-N 1 0 312.332 0.871 50 0 DCAARO C[NH+](C)C[C@@H]1CN(CC(=O)NCCc2cccs2)CCO1 ZINC000069849496 396092384 /nfs/dbraw/zinc/09/23/84/396092384.db2.gz LMFBZVMKMKDVHP-CYBMUJFWSA-N 1 0 311.451 0.669 50 0 DCAARO COc1cccc(CNC(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000069840895 396092453 /nfs/dbraw/zinc/09/24/53/396092453.db2.gz UXPJTAZZBDUODS-BBRMVZONSA-N 1 0 321.421 0.620 50 0 DCAARO Cc1nc(CN2CCC[C@@H]([NH2+]CCCN3CCCC3=O)C2)no1 ZINC000069875041 396093511 /nfs/dbraw/zinc/09/35/11/396093511.db2.gz MXFHVXQKXKLAKG-CQSZACIVSA-N 1 0 321.425 0.945 50 0 DCAARO CC(C)OCC[C@H](O)C[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000170606428 396094970 /nfs/dbraw/zinc/09/49/70/396094970.db2.gz RZDIDDQVVGANEC-HNNXBMFYSA-N 1 0 315.458 0.258 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CCN2C(=O)CNC2=O)n1 ZINC000069949716 396096055 /nfs/dbraw/zinc/09/60/55/396096055.db2.gz WMHPMPVJBXNWPV-ZDUSSCGKSA-N 1 0 320.397 0.301 50 0 DCAARO C[NH+](C)C[C@@H]1CN(CC(=O)NCCOc2ccccc2)CCO1 ZINC000069969871 396096221 /nfs/dbraw/zinc/09/62/21/396096221.db2.gz SHCXNIPKSIBCQY-MRXNPFEDSA-N 1 0 321.421 0.444 50 0 DCAARO C[NH+](C)C[C@H]1CN(Cc2nc(-c3ccccn3)no2)CCO1 ZINC000069974014 396097212 /nfs/dbraw/zinc/09/72/12/396097212.db2.gz NGVHQJKJYYJLTP-LBPRGKRZSA-N 1 0 303.366 0.894 50 0 DCAARO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000070009343 396097489 /nfs/dbraw/zinc/09/74/89/396097489.db2.gz WNFOXZFGTKIXAK-OLZOCXBDSA-N 1 0 324.425 0.684 50 0 DCAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1C(=O)NC(C)(C)C1=O ZINC000071279559 396111787 /nfs/dbraw/zinc/11/17/87/396111787.db2.gz WZTAGKSUQVSEIW-CYBMUJFWSA-N 1 0 305.378 0.810 50 0 DCAARO COCCn1nc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1=O ZINC000071839925 396118406 /nfs/dbraw/zinc/11/84/06/396118406.db2.gz JSCQDAYMSSSQPI-ZDUSSCGKSA-N 1 0 320.393 0.200 50 0 DCAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]CC(=O)NC1CCOCC1)CC2 ZINC000071871858 396120703 /nfs/dbraw/zinc/12/07/03/396120703.db2.gz MMVXCRWQPNIOKM-ZDUSSCGKSA-N 1 0 321.425 0.601 50 0 DCAARO Cc1cnn(CC[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000072253139 396127060 /nfs/dbraw/zinc/12/70/60/396127060.db2.gz QOLSJNCLYGTQIT-CABCVRRESA-N 1 0 306.410 0.951 50 0 DCAARO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2nccn2C)[C@@H](C)C1 ZINC000072300627 396130741 /nfs/dbraw/zinc/13/07/41/396130741.db2.gz PNJKVODPIZYTSN-STQMWFEESA-N 1 0 314.455 0.958 50 0 DCAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000069329502 396074689 /nfs/dbraw/zinc/07/46/89/396074689.db2.gz QMDIJUMZMLTTPT-LLVKDONJSA-N 1 0 300.428 0.319 50 0 DCAARO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000069455105 396078835 /nfs/dbraw/zinc/07/88/35/396078835.db2.gz JUOBMIYVMTXKKS-BFHYXJOUSA-N 1 0 311.451 0.993 50 0 DCAARO Cc1nnc2n1CCN(C[C@H](O)C[N@@H+](C)Cc1ccccc1)C2 ZINC000069529256 396081848 /nfs/dbraw/zinc/08/18/48/396081848.db2.gz ARFYYGWRRDGGPC-MRXNPFEDSA-N 1 0 315.421 0.895 50 0 DCAARO NC(=O)COc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000069590091 396083743 /nfs/dbraw/zinc/08/37/43/396083743.db2.gz SLWRQFIQVTTZIY-MRXNPFEDSA-N 1 0 319.405 0.504 50 0 DCAARO CC1CC[NH+](C[C@H](O)CN2CCC[C@@H]2Cn2cncn2)CC1 ZINC000069597849 396084395 /nfs/dbraw/zinc/08/43/95/396084395.db2.gz VBVVFWKVGKKUQQ-CVEARBPZSA-N 1 0 307.442 0.835 50 0 DCAARO Cc1nnc(CN(C)CC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])n1C ZINC000262733018 396176282 /nfs/dbraw/zinc/17/62/82/396176282.db2.gz DTIZQLDVXOWDTN-WCQYABFASA-N 1 0 308.430 0.284 50 0 DCAARO Cc1noc(C)c1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000078789300 396254353 /nfs/dbraw/zinc/25/43/53/396254353.db2.gz CVMJQAXWMGMIIQ-LSDHHAIUSA-N 1 0 307.394 0.892 50 0 DCAARO Cc1noc(C)c1CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000078789297 396254764 /nfs/dbraw/zinc/25/47/64/396254764.db2.gz CVMJQAXWMGMIIQ-HUUCEWRRSA-N 1 0 307.394 0.892 50 0 DCAARO O[C@]1(CNCc2coc(-c3ccccc3)n2)C[NH2+]CCOC1 ZINC000077354732 396219616 /nfs/dbraw/zinc/21/96/16/396219616.db2.gz IMXXWZQWEYOQQU-INIZCTEOSA-N 1 0 303.362 0.782 50 0 DCAARO CN(Cc1cc(-c2cccnc2)no1)C[C@@]1(O)C[NH2+]CCOC1 ZINC000077406777 396221041 /nfs/dbraw/zinc/22/10/41/396221041.db2.gz HIYKZSFDCMQWGL-INIZCTEOSA-N 1 0 318.377 0.519 50 0 DCAARO CN(Cc1nc(-c2ccccc2)no1)C[C@]1(O)C[NH2+]CCOC1 ZINC000077439689 396221968 /nfs/dbraw/zinc/22/19/68/396221968.db2.gz ZQEPRTDKPREPKY-MRXNPFEDSA-N 1 0 318.377 0.519 50 0 DCAARO COc1ccc(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000584885840 396632397 /nfs/dbraw/zinc/63/23/97/396632397.db2.gz LBBRBYKRFCPAGM-KBPBESRZSA-N 1 0 308.378 0.380 50 0 DCAARO C[NH+]1CCC(OCCCn2cnc3nccnc3c2=O)CC1 ZINC000584894556 396635050 /nfs/dbraw/zinc/63/50/50/396635050.db2.gz AFJNMBSQYMSWOE-UHFFFAOYSA-N 1 0 303.366 0.687 50 0 DCAARO Cc1n[nH]c(C)c1CCCN(C)C(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000584900036 396636417 /nfs/dbraw/zinc/63/64/17/396636417.db2.gz UYWCEYCQZZMLNX-AWEZNQCLSA-N 1 0 308.426 0.874 50 0 DCAARO Clc1cnn(CCN2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 ZINC000299796017 396713709 /nfs/dbraw/zinc/71/37/09/396713709.db2.gz NNCRWBFICSHQDO-STQMWFEESA-N 1 0 308.773 0.974 50 0 DCAARO CCc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc(=O)[nH]1 ZINC000262251649 158790181 /nfs/dbraw/zinc/79/01/81/158790181.db2.gz IRGYVDFGVHFVFP-AWEZNQCLSA-N 1 0 304.394 0.469 50 0 DCAARO NC(=O)C1CC[NH+](CCCNC(=O)Nc2nncs2)CC1 ZINC000047497696 415271206 /nfs/dbraw/zinc/27/12/06/415271206.db2.gz WZYSWMFHDGMKHQ-UHFFFAOYSA-N 1 0 312.399 0.247 50 0 DCAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000044909687 415230309 /nfs/dbraw/zinc/23/03/09/415230309.db2.gz GHKNYCKZISMVEA-CYBMUJFWSA-N 1 0 317.455 0.211 50 0 DCAARO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccccc2O)CC1 ZINC000044901283 415230779 /nfs/dbraw/zinc/23/07/79/415230779.db2.gz NUOSIJURSDVMIN-UHFFFAOYSA-N 1 0 320.393 0.084 50 0 DCAARO O=C(NC[C@H]1CCS(=O)(=O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000048395744 415290383 /nfs/dbraw/zinc/29/03/83/415290383.db2.gz AKZLJIOBGWDSST-LLVKDONJSA-N 1 0 315.439 0.347 50 0 DCAARO CC(C)[C@@H](C)NC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000058296610 415340057 /nfs/dbraw/zinc/34/00/57/415340057.db2.gz UECYOFMJUMCZHC-MNOVXSKESA-N 1 0 312.414 0.443 50 0 DCAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC000072138687 415410707 /nfs/dbraw/zinc/41/07/07/415410707.db2.gz DRSLPCNIQWKDIJ-AWEZNQCLSA-N 1 0 304.394 0.778 50 0 DCAARO CC[C@@H]1CN(CCCS(=O)(=O)N(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000072279808 415413098 /nfs/dbraw/zinc/41/30/98/415413098.db2.gz LBKJNKXHPIISDR-ZIAGYGMSSA-N 1 0 321.487 0.045 50 0 DCAARO CN1CCN(C2CC[NH+](CCCN3CCCC3=O)CC2)C1=O ZINC000075131567 415438771 /nfs/dbraw/zinc/43/87/71/415438771.db2.gz AJZIJTOXCSTSHU-UHFFFAOYSA-N 1 0 308.426 0.831 50 0 DCAARO Cc1cc([C@H]2CCCCN2C(=O)c2cn(CC[NH3+])nn2)no1 ZINC000077471547 415462792 /nfs/dbraw/zinc/46/27/92/415462792.db2.gz FRZZCWVIQSNFNO-CYBMUJFWSA-N 1 0 304.354 0.901 50 0 DCAARO Cc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)o1 ZINC000095370184 415554241 /nfs/dbraw/zinc/55/42/41/415554241.db2.gz CPWNHJFVIGTEPM-CYBMUJFWSA-N 1 0 307.394 0.657 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COCc2ccco2)C[C@H]1C ZINC000106869166 415650694 /nfs/dbraw/zinc/65/06/94/415650694.db2.gz QYAHEFNWCDMCHN-ILXRZTDVSA-N 1 0 312.410 0.544 50 0 DCAARO Cn1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000097081780 415579186 /nfs/dbraw/zinc/57/91/86/415579186.db2.gz DERMMDJLRFBIRI-INIZCTEOSA-N 1 0 314.389 0.917 50 0 DCAARO CN(C)C(=O)N1CC[N@@H+](C2Cc3ccccc3C2)C[C@H](O)C1 ZINC000097527935 415589002 /nfs/dbraw/zinc/58/90/02/415589002.db2.gz CBLWSUPBFSBGFK-INIZCTEOSA-N 1 0 303.406 0.814 50 0 DCAARO Cc1cc(NC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n(C)n1 ZINC000106868087 415653245 /nfs/dbraw/zinc/65/32/45/415653245.db2.gz CRUPMFZLSFREGK-QWHCGFSZSA-N 1 0 309.414 0.054 50 0 DCAARO Cc1ccccc1[C@@H]1CN(C(=O)CNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000124968464 415854844 /nfs/dbraw/zinc/85/48/44/415854844.db2.gz DRNYFKCQXZERCU-JSGCOSHPSA-N 1 0 305.378 0.358 50 0 DCAARO Cc1sc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1S(N)(=O)=O ZINC000157760259 416000152 /nfs/dbraw/zinc/00/01/52/416000152.db2.gz PSUWMNHECNPPNM-MRVPVSSYSA-N 1 0 303.409 0.267 50 0 DCAARO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC([NH+]2CCCCC2)C1 ZINC000299774518 416066335 /nfs/dbraw/zinc/06/63/35/416066335.db2.gz DNSSPKBVXUDRHS-HNNXBMFYSA-N 1 0 319.409 0.154 50 0 DCAARO COc1ccc(OCCC[NH3+])c(C(=O)N(C)[C@H]2COC[C@@H]2O)c1 ZINC000299781721 416067067 /nfs/dbraw/zinc/06/70/67/416067067.db2.gz ORSQURSPPHKFJQ-KBPBESRZSA-N 1 0 324.377 0.255 50 0 DCAARO c1cc(CN2CCOCC2)cc(OCCN2CC[NH2+]CC2)c1 ZINC000299790482 416069548 /nfs/dbraw/zinc/06/95/48/416069548.db2.gz CJLCLTOQWHXJTB-UHFFFAOYSA-N 1 0 305.422 0.803 50 0 DCAARO O=C(NCC1(CO)CCCC1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000318896739 416119687 /nfs/dbraw/zinc/11/96/87/416119687.db2.gz JBNWYOZIMGFUOJ-HNNXBMFYSA-N 1 0 309.454 0.872 50 0 DCAARO Cn1nccc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000331264811 416297683 /nfs/dbraw/zinc/29/76/83/416297683.db2.gz BAHQHWYSJKWHRE-UHFFFAOYSA-N 1 0 300.428 0.820 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)NCC2(Cn3ccnc3)CC2)CC1 ZINC000252483515 416334638 /nfs/dbraw/zinc/33/46/38/416334638.db2.gz FDEYAUMQVBLHBH-UHFFFAOYSA-N 1 0 305.426 0.417 50 0 DCAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000215655083 416327253 /nfs/dbraw/zinc/32/72/53/416327253.db2.gz NWDJXVCVHBCARJ-NSHDSACASA-N 1 0 320.393 0.448 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C1 ZINC000237981057 416329526 /nfs/dbraw/zinc/32/95/26/416329526.db2.gz DIUDASLRWOCOSM-SNVBAGLBSA-N 1 0 314.183 0.561 50 0 DCAARO CCOCC[N@@H+]1CCN(c2ncnc3c2cnn3C)C[C@H]1C ZINC000239359617 416329984 /nfs/dbraw/zinc/32/99/84/416329984.db2.gz AEXNMVBHCREYDE-GFCCVEGCSA-N 1 0 304.398 0.910 50 0 DCAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC000416304741 416365139 /nfs/dbraw/zinc/36/51/39/416365139.db2.gz VKKBRLAACHLSEU-GFCCVEGCSA-N 1 0 317.455 0.259 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2csc(N)n2)C1 ZINC000584900917 416516816 /nfs/dbraw/zinc/51/68/16/416516816.db2.gz BNQLOMODIAKXGD-NSHDSACASA-N 1 0 312.439 1.156 50 0 DCAARO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585116195 416518438 /nfs/dbraw/zinc/51/84/38/416518438.db2.gz KTRCZNVLWYEIQB-QWRGUYRKSA-N 1 0 307.398 0.859 50 0 DCAARO O=S(=O)(N1CCCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000369967070 416861122 /nfs/dbraw/zinc/86/11/22/416861122.db2.gz KAPOWTOTXLHMPF-UHFFFAOYSA-N 1 0 317.455 0.514 50 0 DCAARO COC1CCN(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000658379859 417957480 /nfs/dbraw/zinc/95/74/80/417957480.db2.gz ZLZOCSKNSGQLSB-AWEZNQCLSA-N 1 0 317.455 0.418 50 0 DCAARO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCOC[C@H]2C)CC1 ZINC000096444051 276196188 /nfs/dbraw/zinc/19/61/88/276196188.db2.gz HDDHGXNHLLGRDY-HUUCEWRRSA-N 1 0 312.458 0.690 50 0 DCAARO CN(C)C(=O)CN1CC[C@@H]([NH2+]C2Cc3ccccc3C2)[C@H](O)C1 ZINC000299764903 276752679 /nfs/dbraw/zinc/75/26/79/276752679.db2.gz WATQNKJTNSNFLP-IAGOWNOFSA-N 1 0 317.433 0.267 50 0 DCAARO C[NH+]1CCN(CC[C@@H]2CCCCN2C(=O)c2cn[nH]n2)CC1 ZINC000299760091 277106488 /nfs/dbraw/zinc/10/64/88/277106488.db2.gz RCXIMBLOSXOJHA-ZDUSSCGKSA-N 1 0 306.414 0.437 50 0 DCAARO CN1CC[NH+](C[C@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019771154 277107976 /nfs/dbraw/zinc/10/79/76/277107976.db2.gz UMKHHVFLPHOCOC-LSDHHAIUSA-N 1 0 322.405 0.451 50 0 DCAARO CC1(C)CN(c2ncccn2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091914603 281272230 /nfs/dbraw/zinc/27/22/30/281272230.db2.gz UWDIJFMWTQEDQT-MRXNPFEDSA-N 1 0 306.410 0.776 50 0 DCAARO Cc1[nH+]c(N(C)C)nc(N2CCN(CC(=O)N(C)C)CC2)c1C ZINC000065491694 281915459 /nfs/dbraw/zinc/91/54/59/281915459.db2.gz BHXVBMFIXAUGTQ-UHFFFAOYSA-N 1 0 320.441 0.370 50 0 DCAARO CS(=O)(=O)c1cnc(N2CCCC2)nc1[C@H]1CCC[NH2+]C1 ZINC000072478789 295563095 /nfs/dbraw/zinc/56/30/95/295563095.db2.gz HGCRXJNUTMLAFH-NSHDSACASA-N 1 0 310.423 0.947 50 0 DCAARO COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000025561566 331602255 /nfs/dbraw/zinc/60/22/55/331602255.db2.gz XIQJJMDXZDBZSW-OAHLLOKOSA-N 1 0 322.405 0.885 50 0 DCAARO C[C@]1(C(=O)NCCC[NH+]2CCC(C(N)=O)CC2)CCCCO1 ZINC000534587210 334292550 /nfs/dbraw/zinc/29/25/50/334292550.db2.gz KOPWWKRDQOZAEZ-MRXNPFEDSA-N 1 0 311.426 0.649 50 0 DCAARO Cc1ccc(F)c(S(=O)(=O)NC[C@]2(O)CCC[NH2+]C2)c1 ZINC000534653727 334312768 /nfs/dbraw/zinc/31/27/68/334312768.db2.gz MESOKEKMWNRADB-ZDUSSCGKSA-N 1 0 302.371 0.527 50 0 DCAARO CN1CCN(CC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)C1=O ZINC000534648526 334316644 /nfs/dbraw/zinc/31/66/44/334316644.db2.gz CEPXBICWIRXNQW-ZDUSSCGKSA-N 1 0 308.426 0.735 50 0 DCAARO CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1C ZINC000534664765 334318500 /nfs/dbraw/zinc/31/85/00/334318500.db2.gz HKXFSUXKPAIYOW-RYUDHWBXSA-N 1 0 302.371 0.741 50 0 DCAARO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC(OCc2ccccc2)CC1 ZINC000299752697 534643102 /nfs/dbraw/zinc/64/31/02/534643102.db2.gz VBWONBPGBMYUSO-GDBMZVCRSA-N 1 0 304.390 0.917 50 0 DCAARO O=C(CCCn1cncn1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000084618658 545702837 /nfs/dbraw/zinc/70/28/37/545702837.db2.gz AXVGLTPNHJIJKU-UONOGXRCSA-N 1 0 307.398 0.116 50 0 DCAARO C[NH+](C)C[C@@H]1CCN(C(=O)CCN2CCCCC2=O)C[C@H]1O ZINC000670472581 547101792 /nfs/dbraw/zinc/10/17/92/547101792.db2.gz HWFGTAMRMHUUFZ-UONOGXRCSA-N 1 0 311.426 0.160 50 0 DCAARO C[C@H](NC(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1)c1nncn1C ZINC000685942495 548747736 /nfs/dbraw/zinc/74/77/36/548747736.db2.gz RQJPXAKYNVARST-JTQLQIEISA-N 1 0 317.397 0.838 50 0 DCAARO CN(C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1)[C@@H]1CCN(C)C1=O ZINC000685942242 548747859 /nfs/dbraw/zinc/74/78/59/548747859.db2.gz OQFMPPACGFCWDG-CYBMUJFWSA-N 1 0 319.409 0.522 50 0 DCAARO Cc1nc(S(=O)(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cn1C ZINC000888095679 661167319 /nfs/dbraw/zinc/16/73/19/661167319.db2.gz QAIAMLXSVIOSGZ-WDEREUQCSA-N 1 0 300.428 0.736 50 0 DCAARO CC1(C)CN(CCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CCO1 ZINC000888096527 661174000 /nfs/dbraw/zinc/17/40/00/661174000.db2.gz HKGZVFDALNSPPI-UHFFFAOYSA-N 1 0 324.425 0.112 50 0 DCAARO COc1cccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1O ZINC000863947755 667196338 /nfs/dbraw/zinc/19/63/38/667196338.db2.gz DZSUJIGRKFYXPM-WCQYABFASA-N 1 0 307.394 0.765 50 0 DCAARO Cc1cccc(N2CCC(NC(=O)[C@H]3C[NH2+]CCO3)CC2)n1 ZINC000188215331 669990310 /nfs/dbraw/zinc/99/03/10/669990310.db2.gz LFLBSMBMCHGZTF-CQSZACIVSA-N 1 0 304.394 0.463 50 0 DCAARO CCOC(=O)/C=C\C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000857707339 670940254 /nfs/dbraw/zinc/94/02/54/670940254.db2.gz JVVXOIXLFGQMNM-JMLQGUJRSA-N 1 0 306.366 0.401 50 0 DCAARO Cc1nc[nH]c1C(=O)NC[C@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000952990647 685602801 /nfs/dbraw/zinc/60/28/01/685602801.db2.gz ZSJWUFGMVBRWHI-CYBMUJFWSA-N 1 0 317.397 0.452 50 0 DCAARO Cc1ncc(CO)c(C[NH2+]CCN2CCCC[C@@H]2CO)c1O ZINC000952962477 685598066 /nfs/dbraw/zinc/59/80/66/685598066.db2.gz BSRURLXSKIEOLW-CQSZACIVSA-N 1 0 309.410 0.524 50 0 DCAARO Cn1cc(C[NH+]2CCC(CNC(=O)[C@@H]3CCOC3)CC2)cn1 ZINC000952975221 685600035 /nfs/dbraw/zinc/60/00/35/685600035.db2.gz HYELHQZRIFEDGS-OAHLLOKOSA-N 1 0 306.410 0.785 50 0 DCAARO O=C(CCc1cn[nH]c1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000952974177 685600109 /nfs/dbraw/zinc/60/01/09/685600109.db2.gz LHYFNXDTJWFVEA-HNNXBMFYSA-N 1 0 306.410 0.648 50 0 DCAARO Cn1nccc1C[NH+]1CCC(CNC(=O)[C@@H]2CCOC2)CC1 ZINC000952977676 685601245 /nfs/dbraw/zinc/60/12/45/685601245.db2.gz OOHTYNVDEHWQTK-CQSZACIVSA-N 1 0 306.410 0.785 50 0 DCAARO C[NH+](C)CC1(O)CCN(C(=O)CCN2CCCCC2=O)CC1 ZINC000952990394 685602972 /nfs/dbraw/zinc/60/29/72/685602972.db2.gz VBTJPJQNUIVSAC-UHFFFAOYSA-N 1 0 311.426 0.304 50 0 DCAARO Cc1cc(-n2nc(C3CC3)nc2CCNS(C)(=O)=O)cc[nH+]1 ZINC000065396463 685063153 /nfs/dbraw/zinc/06/31/53/685063153.db2.gz XSOCHWBHSKBGMU-UHFFFAOYSA-N 1 0 321.406 0.940 50 0 DCAARO Cc1nc2c(c(NC[C@H]3CCS(=O)(=O)C3)n1)CC[NH2+]CC2 ZINC000065385556 685063716 /nfs/dbraw/zinc/06/37/16/685063716.db2.gz HBZFCDMYJONNRH-LLVKDONJSA-N 1 0 310.423 0.320 50 0 DCAARO CC[N@@H+]1CCC[C@@H](c2cn(CCc3c[nH]c(=O)[nH]c3=O)nn2)C1 ZINC000091452586 685104519 /nfs/dbraw/zinc/10/45/19/685104519.db2.gz DLNDDMPBGNZCGI-GFCCVEGCSA-N 1 0 318.381 0.097 50 0 DCAARO Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@]3(CO)C2)s1 ZINC001772702610 1157841778 /nfs/dbraw/zinc/84/17/78/1157841778.db2.gz UGPOGGOYENDTQU-ZYHUDNBSSA-N 1 0 302.421 0.259 50 0 DCAARO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)s1 ZINC001772702607 1157842119 /nfs/dbraw/zinc/84/21/19/1157842119.db2.gz UGPOGGOYENDTQU-JQWIXIFHSA-N 1 0 302.421 0.259 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1nnc3n1CCCCC3)C2 ZINC001704306525 1179968561 /nfs/dbraw/zinc/96/85/61/1179968561.db2.gz OCSZOVRHSDOEMD-STQMWFEESA-N 1 0 319.409 0.407 50 0 DCAARO C[N@@H+]1C[C@H]2COC[C@@H]1CN(C(=O)Cn1cc3ccccc3n1)C2 ZINC001704310131 1179969564 /nfs/dbraw/zinc/96/95/64/1179969564.db2.gz PCIMKNPZLLDBRQ-HIFRSBDPSA-N 1 0 314.389 0.825 50 0 DCAARO Cc1nnc([C@@H]2CC[N@@H+](CCCO)CCN2C(=O)C(C)C)[nH]1 ZINC000675014674 748026894 /nfs/dbraw/zinc/02/68/94/748026894.db2.gz YKXIJEAHSUOLQQ-ZDUSSCGKSA-N 1 0 309.414 0.727 50 0 DCAARO CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](O)C2 ZINC000823033103 758219225 /nfs/dbraw/zinc/21/92/25/758219225.db2.gz NGCQOLFESGLXFJ-LBPRGKRZSA-N 1 0 306.410 0.530 50 0 DCAARO COCC1CCN(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000824372050 758772066 /nfs/dbraw/zinc/77/20/66/758772066.db2.gz DBMZOHIVYOBFNA-CQSZACIVSA-N 1 0 319.471 0.616 50 0 DCAARO O=S(=O)(CC1CCCC1)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC000828760487 759102556 /nfs/dbraw/zinc/10/25/56/759102556.db2.gz SFGKSIIKWWQIMF-CQSZACIVSA-N 1 0 304.456 0.800 50 0 DCAARO Cn1nccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)CC1 ZINC000581788169 760249339 /nfs/dbraw/zinc/24/93/39/760249339.db2.gz WLSKIFFSAXKICG-CQSZACIVSA-N 1 0 306.410 0.995 50 0 DCAARO COc1ccc(C(=O)N2CC[C@H](CO)[C@H]([NH+](C)C)C2)c(OC)n1 ZINC000581798729 760251310 /nfs/dbraw/zinc/25/13/10/760251310.db2.gz VINNZXPZQBVZJH-DGCLKSJQSA-N 1 0 323.393 0.483 50 0 DCAARO O=C(c1cnco1)N1CCC2(CC[NH+](CCO)CC2)[C@H](CO)C1 ZINC000219640886 766274576 /nfs/dbraw/zinc/27/45/76/766274576.db2.gz NAYAFGZHSKFLBI-ZDUSSCGKSA-N 1 0 323.393 0.204 50 0 DCAARO CC[C@H](C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2)[N@H+](C)CC ZINC000952872223 768935043 /nfs/dbraw/zinc/93/50/43/768935043.db2.gz LQLRSDLSBORDGH-GFCCVEGCSA-N 1 0 309.410 0.762 50 0 DCAARO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[NH2+][C@@H](CCO)C1 ZINC000952884294 768952237 /nfs/dbraw/zinc/95/22/37/768952237.db2.gz ZHIFJNWABZJJGJ-IHRRRGAJSA-N 1 0 300.399 0.143 50 0 DCAARO CNC(=O)c1cccnc1NCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001529138917 1014502150 /nfs/dbraw/zinc/50/21/50/1014502150.db2.gz KJOJCKBKQDUEBQ-NSHDSACASA-N 1 0 305.382 0.050 50 0 DCAARO Cc1ccc(C(=O)Nc2nnc(CC[NH+](C)C)s2)c(=O)n1C ZINC001529186958 1014516420 /nfs/dbraw/zinc/51/64/20/1014516420.db2.gz NFQATEPFQGXZKY-UHFFFAOYSA-N 1 0 321.406 0.902 50 0 DCAARO Cc1nn(C)c(C(=O)NCC2CC[NH+](CCO)CC2)c1Cl ZINC001506419003 1017262298 /nfs/dbraw/zinc/26/22/98/1017262298.db2.gz LUCGLVQOIBBVKX-UHFFFAOYSA-N 1 0 314.817 0.816 50 0 DCAARO CN1CCC2(CC1)CN(C(=O)CCc1cn[nH]c1)CCC[N@@H+]2C ZINC001506428137 1017269631 /nfs/dbraw/zinc/26/96/31/1017269631.db2.gz NCNIQUWLLPEGNG-UHFFFAOYSA-N 1 0 319.453 0.971 50 0 DCAARO Cc1cc(CN(C)C(=O)CN2CC3(CC[NH2+]CC3)OC2=O)no1 ZINC000095520969 185377604 /nfs/dbraw/zinc/37/76/04/185377604.db2.gz DLZMJFGWEOQORQ-UHFFFAOYSA-N 1 0 322.365 0.516 50 0 DCAARO Cc1nccn1CCN(C)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)[NH2+]2 ZINC000095524281 185377885 /nfs/dbraw/zinc/37/78/85/185377885.db2.gz JDHJNJIDJZVPHA-KGLIPLIRSA-N 1 0 319.409 0.003 50 0 DCAARO CCCc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)n(C)n1 ZINC000082156489 192362906 /nfs/dbraw/zinc/36/29/06/192362906.db2.gz NZDDXODMOATDDF-CQSZACIVSA-N 1 0 308.426 0.949 50 0 DCAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COc1ccccc1)CC2 ZINC000069975954 190846192 /nfs/dbraw/zinc/84/61/92/190846192.db2.gz QBERJFGKPFPSBS-KGLIPLIRSA-N 1 0 302.378 0.931 50 0 DCAARO COCC(=O)N1CCC(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000071315044 190956479 /nfs/dbraw/zinc/95/64/79/190956479.db2.gz WBDRLVKDMYGHTL-QGZVFWFLSA-N 1 0 323.437 0.474 50 0 DCAARO Cn1cc(CCC(=O)N2CC[C@H]3[NH2+]CCC[C@]3(CO)C2)cn1 ZINC000072127457 191043161 /nfs/dbraw/zinc/04/31/61/191043161.db2.gz OMDVOEUGPFMNNY-GDBMZVCRSA-N 1 0 306.410 0.316 50 0 DCAARO Cc1nnc(SCCCNC(=O)[C@H]2C[NH2+]CCO2)s1 ZINC000072138974 191048524 /nfs/dbraw/zinc/04/85/24/191048524.db2.gz VFYWHSGNIOCPCC-SECBINFHSA-N 1 0 302.425 0.433 50 0 DCAARO CCn1nc(C)c(C(=O)N2CCO[C@@]3(C2)C[NH2+]CCOC3)c1C ZINC000072162399 191063866 /nfs/dbraw/zinc/06/38/66/191063866.db2.gz OVDJUUWYSSHOHE-MRXNPFEDSA-N 1 0 322.409 0.351 50 0 DCAARO OC[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)nc2)C[C@H]1O ZINC000072165405 191064766 /nfs/dbraw/zinc/06/47/66/191064766.db2.gz AZLOTIQJWNKLSU-UKRRQHHQSA-N 1 0 300.362 0.714 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)NCCc1noc(C2CCCC2)n1 ZINC000072164465 191065206 /nfs/dbraw/zinc/06/52/06/191065206.db2.gz RPIKUNLFPDZTIH-GFCCVEGCSA-N 1 0 308.382 0.764 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc(N2CCCC2=O)cc1 ZINC000072172947 191069710 /nfs/dbraw/zinc/06/97/10/191069710.db2.gz ADHGQNJYWGEYRZ-CQSZACIVSA-N 1 0 317.389 0.808 50 0 DCAARO CCc1cc(NCC(=O)N2CC[NH2+]CC2)n2nc(C)c(C)c2n1 ZINC000072419074 191156456 /nfs/dbraw/zinc/15/64/56/191156456.db2.gz POCUVEWQNUYVBB-UHFFFAOYSA-N 1 0 316.409 0.752 50 0 DCAARO CCn1ncnc1[C@H](C)NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072430965 191162995 /nfs/dbraw/zinc/16/29/95/191162995.db2.gz FRJBRJCHRYLNHP-NSHDSACASA-N 1 0 317.397 0.408 50 0 DCAARO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000072423704 191157987 /nfs/dbraw/zinc/15/79/87/191157987.db2.gz BKUWJCAKHWJHEE-MRXNPFEDSA-N 1 0 303.406 0.940 50 0 DCAARO Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000072423703 191158335 /nfs/dbraw/zinc/15/83/35/191158335.db2.gz BKUWJCAKHWJHEE-INIZCTEOSA-N 1 0 303.406 0.940 50 0 DCAARO O=C(c1cncc(NC[C@@H]2CC[NH2+]C[C@H]2O)n1)N1CCCCC1 ZINC000072477512 191179934 /nfs/dbraw/zinc/17/99/34/191179934.db2.gz HGFXYFZACSJWJV-GXTWGEPZSA-N 1 0 319.409 0.485 50 0 DCAARO CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000002933923 180971015 /nfs/dbraw/zinc/97/10/15/180971015.db2.gz JVFPLQBKJICQMD-UHFFFAOYSA-N 1 0 317.455 0.260 50 0 DCAARO COc1cc2c(cc1O)CCN(C[C@@H](O)C[NH2+]CCO)[C@H]2C ZINC000004029370 181064235 /nfs/dbraw/zinc/06/42/35/181064235.db2.gz ORRQVCLFTXFXAG-AAEUAGOBSA-N 1 0 310.394 0.263 50 0 DCAARO O=C(C[C@H]1[NH2+]CCC[C@@H]1O)Cn1cnc2ccccc2c1=O ZINC000005641945 181267448 /nfs/dbraw/zinc/26/74/48/181267448.db2.gz FWVHWDSCPKXMDB-CABCVRRESA-N 1 0 301.346 0.469 50 0 DCAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000237164979 202173136 /nfs/dbraw/zinc/17/31/36/202173136.db2.gz AOYNBCQHBFWHTB-CABCVRRESA-N 1 0 319.405 0.204 50 0 DCAARO Cn1cc([C@@]2(C)CN(C(=O)C[NH2+]C[C@@H]3CCCO3)CCO2)cn1 ZINC000237709571 202335012 /nfs/dbraw/zinc/33/50/12/202335012.db2.gz OPRBYKXPJXHELP-GOEBONIOSA-N 1 0 322.409 0.263 50 0 DCAARO Cc1cc(C(=O)N2CCC(C[NH3+])CC2)ccc1S(N)(=O)=O ZINC000237678177 202327231 /nfs/dbraw/zinc/32/72/31/202327231.db2.gz DWNPBOKEXMMIIB-UHFFFAOYSA-N 1 0 311.407 0.453 50 0 DCAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1c[nH]nc1C ZINC000241144892 202462446 /nfs/dbraw/zinc/46/24/46/202462446.db2.gz JTYPYVHDKCWGFE-WCQYABFASA-N 1 0 300.428 0.868 50 0 DCAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000299738651 296027937 /nfs/dbraw/zinc/02/79/37/296027937.db2.gz DOBIPSVYGDJRLT-FDYHWXHSSA-N 1 0 305.444 0.542 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1CO ZINC000091585979 193075344 /nfs/dbraw/zinc/07/53/44/193075344.db2.gz FLPHKWKVQIFHQE-HZPDHXFCSA-N 1 0 306.406 0.945 50 0 DCAARO CCc1ccc(CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)nc1 ZINC000091604511 193078903 /nfs/dbraw/zinc/07/89/03/193078903.db2.gz LYDHATPLCGWTIG-UHFFFAOYSA-N 1 0 318.421 0.800 50 0 DCAARO Cc1c[nH]c(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)n1 ZINC000091680097 193089899 /nfs/dbraw/zinc/08/98/99/193089899.db2.gz NEENAMAWDFWGTD-HZPDHXFCSA-N 1 0 321.469 0.396 50 0 DCAARO CCC[C@H]1CN(S(=O)(=O)c2cnn(CC)c2C)C[C@@H]1[NH3+] ZINC000095357229 193429701 /nfs/dbraw/zinc/42/97/01/193429701.db2.gz RQLVBPHIAODSJN-RYUDHWBXSA-N 1 0 300.428 0.959 50 0 DCAARO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C)sc2ncn(C)c(=O)c12 ZINC000125658786 291502874 /nfs/dbraw/zinc/50/28/74/291502874.db2.gz KCDMBAVNPCFUIE-QMMMGPOBSA-N 1 0 306.391 0.737 50 0 DCAARO COc1cc(CN2CC[NH+](CCO)CC2)cc(OC)c1OC ZINC000019606563 182133276 /nfs/dbraw/zinc/13/32/76/182133276.db2.gz VBOHOAFGQLCOFC-UHFFFAOYSA-N 1 0 310.394 0.822 50 0 DCAARO Cc1ccc(CS(=O)(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000022935211 182342634 /nfs/dbraw/zinc/34/26/34/182342634.db2.gz VQOFPFGCXJORHF-UHFFFAOYSA-N 1 0 311.451 0.662 50 0 DCAARO Cc1ccc(SCC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000023624161 182364743 /nfs/dbraw/zinc/36/47/43/182364743.db2.gz PRJIALPVMFQWQR-STQMWFEESA-N 1 0 301.433 0.835 50 0 DCAARO COCCOc1ccc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000036296919 182814068 /nfs/dbraw/zinc/81/40/68/182814068.db2.gz GFJLRCRERMYTME-LBPRGKRZSA-N 1 0 314.407 0.824 50 0 DCAARO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3cnccc32)CCO1 ZINC000041161981 183179388 /nfs/dbraw/zinc/17/93/88/183179388.db2.gz PBFCIGBDCWDVTN-GFCCVEGCSA-N 1 0 307.375 0.583 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C[C@@H](O)COCc2cccs2)CCO1 ZINC000106785905 194251851 /nfs/dbraw/zinc/25/18/51/194251851.db2.gz MOLWTYDNTQIKAO-ZIAGYGMSSA-N 1 0 314.451 0.888 50 0 DCAARO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000106787412 194253226 /nfs/dbraw/zinc/25/32/26/194253226.db2.gz XKINAPNVCBZSFL-KGLIPLIRSA-N 1 0 323.441 0.626 50 0 DCAARO C[C@@H](CNc1nc2c(c(=O)[nH]1)CC[NH2+]CC2)Oc1cccnc1 ZINC000063856224 184289950 /nfs/dbraw/zinc/28/99/50/184289950.db2.gz ZTPCUNUJVKVZBC-NSHDSACASA-N 1 0 315.377 0.733 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)N[C@H](C)Cn2cccn2)CC1 ZINC000065440698 184345508 /nfs/dbraw/zinc/34/55/08/184345508.db2.gz NLLXVXNWRBRYIL-CQSZACIVSA-N 1 0 309.414 0.635 50 0 DCAARO NC(=O)[C@H]1CC[N@H+](CC(=O)NCCCCc2ccccc2)C1 ZINC000065553233 184365242 /nfs/dbraw/zinc/36/52/42/184365242.db2.gz XBNOYNMJBQVJEU-HNNXBMFYSA-N 1 0 303.406 0.933 50 0 DCAARO CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000065624356 184375318 /nfs/dbraw/zinc/37/53/18/184375318.db2.gz VNULVCNQJWVMBE-MRXNPFEDSA-N 1 0 321.421 0.622 50 0 DCAARO COc1cccc(C[C@]2(C3CC[NH2+]CC3)NC(=O)NC2=O)c1 ZINC000067650772 184476170 /nfs/dbraw/zinc/47/61/70/184476170.db2.gz XHTUFYMSZXEEPN-MRXNPFEDSA-N 1 0 303.362 0.816 50 0 DCAARO CCn1c(=O)n(Cc2noc(C3CC3)n2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067741500 184483962 /nfs/dbraw/zinc/48/39/62/184483962.db2.gz WMGSIHDRBFIDIP-LLVKDONJSA-N 1 0 318.381 0.840 50 0 DCAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCc1c[nH]cn1 ZINC000426724005 257243227 /nfs/dbraw/zinc/24/32/27/257243227.db2.gz PJKWQSLKMBNSPA-LBPRGKRZSA-N 1 0 302.382 0.432 50 0 DCAARO CCn1c(C)ccc(C(=O)NCc2cncn2CCOC)c1=O ZINC000426584132 257246021 /nfs/dbraw/zinc/24/60/21/257246021.db2.gz UKMMLRUJWCFVMC-UHFFFAOYSA-N 1 0 318.377 0.950 50 0 DCAARO COc1ncc(C(=O)NCCCOC2CC[NH+](C)CC2)cn1 ZINC000426547623 257247132 /nfs/dbraw/zinc/24/71/32/257247132.db2.gz MLUHDPABDXYOBF-UHFFFAOYSA-N 1 0 308.382 0.716 50 0 DCAARO COc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3O)c(OCC[NH3+])c1 ZINC000426535062 257247430 /nfs/dbraw/zinc/24/74/30/257247430.db2.gz GFLIAQXQDTXGSF-ATCWAGBWSA-N 1 0 320.389 0.876 50 0 DCAARO CCNC(=O)[C@@H](C)NC(=O)c1ccc(OC)cc1OCC[NH3+] ZINC000426503699 257248430 /nfs/dbraw/zinc/24/84/30/257248430.db2.gz UWSJBZDSUMHXGP-SNVBAGLBSA-N 1 0 309.366 0.287 50 0 DCAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)N1CCC(CO)CC1 ZINC000426443389 257250529 /nfs/dbraw/zinc/25/05/29/257250529.db2.gz NSJMRHHDEGNHHC-CQSZACIVSA-N 1 0 306.410 0.581 50 0 DCAARO O=C(C1CCC1)N1CCn2nc(C[NH2+][C@@H]3CCOC3)cc2C1 ZINC000426388104 257252151 /nfs/dbraw/zinc/25/21/51/257252151.db2.gz BPQSBOPMERZODL-CYBMUJFWSA-N 1 0 304.394 0.904 50 0 DCAARO COc1ncc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cn1 ZINC000426380350 257252759 /nfs/dbraw/zinc/25/27/59/257252759.db2.gz IMARPSGEWZWNKU-UHFFFAOYSA-N 1 0 320.393 0.670 50 0 DCAARO C[C@@H]1CCCN(C(=O)c2cn(Cc3ccccn3)nn2)[C@@H]1C[NH3+] ZINC000299739614 533671829 /nfs/dbraw/zinc/67/18/29/533671829.db2.gz QPOXUGGCXBEKPL-IUODEOHRSA-N 1 0 314.393 0.921 50 0 DCAARO CC[NH2+]CC1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000088961012 285586227 /nfs/dbraw/zinc/58/62/27/285586227.db2.gz KCJBAYNIOPKLPJ-STQMWFEESA-N 1 0 319.471 0.662 50 0 DCAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000011815743 395686822 /nfs/dbraw/zinc/68/68/22/395686822.db2.gz QBGZMHVIYXYAKM-HNNXBMFYSA-N 1 0 314.393 0.796 50 0 DCAARO O=C1N(CC2CC2)CCC[C@@]1(O)C[NH+]1CCC2(CC1)OCCO2 ZINC000012835354 395688077 /nfs/dbraw/zinc/68/80/77/395688077.db2.gz MTJGSNHICMJAFS-MRXNPFEDSA-N 1 0 324.421 0.589 50 0 DCAARO Cn1nnc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2)n1 ZINC000015083751 395689775 /nfs/dbraw/zinc/68/97/75/395689775.db2.gz YVQMFEIOSUVAQV-JTQLQIEISA-N 1 0 312.171 0.796 50 0 DCAARO Cn1cc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000015184590 395689863 /nfs/dbraw/zinc/68/98/63/395689863.db2.gz FNQPGXWVXBTXRO-UHFFFAOYSA-N 1 0 305.382 0.764 50 0 DCAARO CC(C)(C)[NH2+]C[C@@H](O)COc1nsnc1N1CCOCC1 ZINC000000403609 395680309 /nfs/dbraw/zinc/68/03/09/395680309.db2.gz BLJRIMJGRPQVNF-SNVBAGLBSA-N 1 0 316.427 0.503 50 0 fda DCAARO Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(NC(N)=[NH2+])S2)cc1 ZINC000005429176 395682694 /nfs/dbraw/zinc/68/26/94/395682694.db2.gz MYENVFOVHXHFAQ-VIFPVBQESA-N 1 0 305.363 0.805 50 0 DCAARO Cc1nn(C)c(C)c1CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000089505726 395712610 /nfs/dbraw/zinc/71/26/10/395712610.db2.gz IEKSBWHLPOVXPY-HZPDHXFCSA-N 1 0 320.437 0.637 50 0 DCAARO CC(C)N1C(=O)N[C@]2(CCN(CC[NH+]3CCCCC3)C2)C1=O ZINC000089869842 395715771 /nfs/dbraw/zinc/71/57/71/395715771.db2.gz LTBFUYSZOINABW-INIZCTEOSA-N 1 0 308.426 0.877 50 0 DCAARO Cn1cnc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000037989558 395730484 /nfs/dbraw/zinc/73/04/84/395730484.db2.gz ZQKVWVYHOIWBJU-SECBINFHSA-N 1 0 318.830 0.836 50 0 DCAARO CCN1C(=O)N[C@](C)([C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)C1=O ZINC000095402596 395740347 /nfs/dbraw/zinc/74/03/47/395740347.db2.gz JYWZEECPYZPRSG-MEDUHNTESA-N 1 0 322.409 0.307 50 0 DCAARO CS(=O)(=O)N1CCN(c2cn[nH+]c(N3CCCC3)c2)CC1 ZINC000096121063 395745622 /nfs/dbraw/zinc/74/56/22/395745622.db2.gz CUTRNQMYTXWHFE-UHFFFAOYSA-N 1 0 311.411 0.158 50 0 DCAARO O=C(CC[NH2+]C1Cc2ccccc2C1)N[C@H]1CCS(=O)(=O)C1 ZINC000097378087 395757360 /nfs/dbraw/zinc/75/73/60/395757360.db2.gz WKORZMWVBGYEOA-AWEZNQCLSA-N 1 0 322.430 0.437 50 0 DCAARO COc1ccc(N2CCC[C@@H](C(=O)NCC[NH+](C)C)C2)nn1 ZINC000096231506 395750779 /nfs/dbraw/zinc/75/07/79/395750779.db2.gz MSGYFKNEQRBJNG-GFCCVEGCSA-N 1 0 307.398 0.379 50 0 DCAARO CC[NH+]1CCN(CCCNC(=O)c2cccc(COC)n2)CC1 ZINC000097527860 395758649 /nfs/dbraw/zinc/75/86/49/395758649.db2.gz MYVYERVFNUBHNM-UHFFFAOYSA-N 1 0 320.437 0.985 50 0 DCAARO [NH3+][C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@@H]1CCO ZINC000097528001 395758786 /nfs/dbraw/zinc/75/87/86/395758786.db2.gz CTARTQJHMBSVPT-ZFWWWQNUSA-N 1 0 300.362 0.654 50 0 DCAARO COCC1(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H](O)C2)CC1 ZINC000097717361 395760509 /nfs/dbraw/zinc/76/05/09/395760509.db2.gz BHUUZDDTNCGZRJ-CQSZACIVSA-N 1 0 305.378 0.518 50 0 DCAARO COc1ccc2nc(C(=O)NCC[NH+]3CCCCC3)cn2n1 ZINC000097938776 395761354 /nfs/dbraw/zinc/76/13/54/395761354.db2.gz LSMPLLAQRFPOCZ-UHFFFAOYSA-N 1 0 303.366 0.954 50 0 DCAARO CCOC(=O)N1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000220514701 395848698 /nfs/dbraw/zinc/84/86/98/395848698.db2.gz GCEOLJRRUVZYCI-UHFFFAOYSA-N 1 0 320.397 0.542 50 0 DCAARO CCN(CC)C(=O)CN1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000054104330 395894068 /nfs/dbraw/zinc/89/40/68/395894068.db2.gz GKZALLXRRXDJKO-UHFFFAOYSA-N 1 0 306.414 0.358 50 0 DCAARO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCC[C@@H]3C[NH3+])cc12 ZINC000124532629 395901035 /nfs/dbraw/zinc/90/10/35/395901035.db2.gz ZNAPWGWPFXMIOR-ZWNOBZJWSA-N 1 0 323.422 0.682 50 0 DCAARO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2nnc(-c3ccsc3)n2)C[C@H](C)O1 ZINC000225708904 395862934 /nfs/dbraw/zinc/86/29/34/395862934.db2.gz LRRBZAOOCIKYLI-NTZNESFSSA-N 1 0 323.422 0.872 50 0 DCAARO O=C(NCCc1ccc(Br)s1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000226304586 395865052 /nfs/dbraw/zinc/86/50/52/395865052.db2.gz OGRBSFNZXSUSKX-VXNVDRBHSA-N 1 0 319.224 0.892 50 0 DCAARO C[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCN1Cc1nccn1C ZINC000229527145 395874823 /nfs/dbraw/zinc/87/48/23/395874823.db2.gz MKYCNWYWZDMQHZ-LSDHHAIUSA-N 1 0 318.425 0.184 50 0 DCAARO O=C(CC[N@H+]1CCC[C@@H]1CO)N1CCN(c2ccccn2)CC1 ZINC000063512355 395978207 /nfs/dbraw/zinc/97/82/07/395978207.db2.gz WYYWSGIJNRVMHT-OAHLLOKOSA-N 1 0 318.421 0.577 50 0 DCAARO CC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000252510644 396022587 /nfs/dbraw/zinc/02/25/87/396022587.db2.gz BAIHMVBMEPJJSR-NEPJUHHUSA-N 1 0 303.428 0.157 50 0 DCAARO NC(=O)C1(C(=O)NCC[C@@H]2C[N@@H+](C3CCCCC3)CCO2)CC1 ZINC000067446611 396026139 /nfs/dbraw/zinc/02/61/39/396026139.db2.gz RIHPTBVTGCDRRL-CQSZACIVSA-N 1 0 323.437 0.792 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)COc1ccccc1OC ZINC000067490937 396026876 /nfs/dbraw/zinc/02/68/76/396026876.db2.gz JDAXYPZFNOWYIH-RYUDHWBXSA-N 1 0 321.377 0.138 50 0 DCAARO C[C@H]([NH3+])C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1 ZINC000067490440 396027097 /nfs/dbraw/zinc/02/70/97/396027097.db2.gz QFIDEUOJLYVKGG-NSHDSACASA-N 1 0 313.361 0.825 50 0 DCAARO COc1cccc(F)c1C(=O)N1C[C@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067771740 396033393 /nfs/dbraw/zinc/03/33/93/396033393.db2.gz BWUZJCWCTHERIO-PWSUYJOCSA-N 1 0 323.368 0.901 50 0 DCAARO COc1ccc(C(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)c(OC)n1 ZINC000257192810 396034882 /nfs/dbraw/zinc/03/48/82/396034882.db2.gz QYYKNMHOWRJGFN-CMPLNLGQSA-N 1 0 309.366 0.093 50 0 DCAARO O=C(N[C@@H]1CN(Cc2ccoc2)C[C@H]1CO)c1ccncc1 ZINC000257191460 396035091 /nfs/dbraw/zinc/03/50/91/396035091.db2.gz QIKRWPHXKSAYBP-LSDHHAIUSA-N 1 0 301.346 0.897 50 0 DCAARO O=C(N[C@@H]1CN(Cc2ccccn2)C[C@H]1CO)c1ccncn1 ZINC000257192189 396035263 /nfs/dbraw/zinc/03/52/63/396035263.db2.gz SWDZEUMALQIXHI-SWLSCSKDSA-N 1 0 313.361 0.094 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000067841643 396036040 /nfs/dbraw/zinc/03/60/40/396036040.db2.gz FXELWUOCHJKRBB-OCCSQVGLSA-N 1 0 300.362 0.846 50 0 DCAARO CCOc1ccc(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC)cc1 ZINC000067934962 396039649 /nfs/dbraw/zinc/03/96/49/396039649.db2.gz IBCSAKBVPIFZRJ-JSGCOSHPSA-N 1 0 305.378 0.302 50 0 DCAARO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)N2CCO[C@H](C)C2)C1 ZINC000257366177 396047225 /nfs/dbraw/zinc/04/72/25/396047225.db2.gz MHGQOIFSDNGCKT-JHJVBQTASA-N 1 0 305.444 0.270 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000249697451 396011184 /nfs/dbraw/zinc/01/11/84/396011184.db2.gz UTEBLFAJAZHTCT-QWHCGFSZSA-N 1 0 317.455 0.401 50 0 DCAARO CCOC(=O)N[C@@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000069670240 396086174 /nfs/dbraw/zinc/08/61/74/396086174.db2.gz GTQOBKSDZDGWGB-SNVBAGLBSA-N 1 0 300.359 0.172 50 0 DCAARO CN1CCO[C@H](C[NH2+]CC(=O)NCCCc2ccccc2)C1 ZINC000069740494 396088891 /nfs/dbraw/zinc/08/88/91/396088891.db2.gz CKTGLIYKTLFOBS-MRXNPFEDSA-N 1 0 305.422 0.656 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000069810588 396091113 /nfs/dbraw/zinc/09/11/13/396091113.db2.gz PSMHAFQQSNVFJT-HRCADAONSA-N 1 0 306.410 0.719 50 0 DCAARO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)Cn2cc(C)cn2)CC1 ZINC000069814984 396091279 /nfs/dbraw/zinc/09/12/79/396091279.db2.gz QFUQHHSVHFJNSU-LSDHHAIUSA-N 1 0 307.442 0.722 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2nncs2)CC[N@@H+]1CCOC ZINC000069841414 396091895 /nfs/dbraw/zinc/09/18/95/396091895.db2.gz SBFKIUQTPDHSHU-LLVKDONJSA-N 1 0 313.427 0.519 50 0 DCAARO Cn1ccnc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)CC1 ZINC000169784987 396092655 /nfs/dbraw/zinc/09/26/55/396092655.db2.gz SQIFHXYYANLACG-CQSZACIVSA-N 1 0 306.410 0.995 50 0 DCAARO COCCn1nc2n(c1=O)CC[N@H+](C1CCSCC1)CC2 ZINC000169790095 396093314 /nfs/dbraw/zinc/09/33/14/396093314.db2.gz ADQUXRXVOVYKJF-UHFFFAOYSA-N 1 0 312.439 0.445 50 0 DCAARO CC[C@]1(CO)CCC[N@@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000170089033 396094326 /nfs/dbraw/zinc/09/43/26/396094326.db2.gz MHZLMLSXTZSTRZ-QGZVFWFLSA-N 1 0 319.453 0.965 50 0 DCAARO O=C(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)N1CCNC(=O)C1 ZINC000170607298 396094909 /nfs/dbraw/zinc/09/49/09/396094909.db2.gz YPLWIBKNSBVAAA-JKSUJKDBSA-N 1 0 315.417 0.946 50 0 DCAARO CC(=O)NCCNC(=O)C[N@@H+]1CCC[C@H]1Cn1nc(C)cc1C ZINC000070003735 396097530 /nfs/dbraw/zinc/09/75/30/396097530.db2.gz UDTNPPAKJLWTIG-HNNXBMFYSA-N 1 0 321.425 0.217 50 0 DCAARO COc1cc(F)c(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1OC ZINC000071397451 396113706 /nfs/dbraw/zinc/11/37/06/396113706.db2.gz ZDKKOEVMXOLKNM-VIFPVBQESA-N 1 0 318.370 0.873 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C[C@@H](C)O ZINC000071864677 396119750 /nfs/dbraw/zinc/11/97/50/396119750.db2.gz IMJJBLQJFNYULN-ZIAGYGMSSA-N 1 0 323.441 0.444 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCCNS(C)(=O)=O ZINC000071880428 396122897 /nfs/dbraw/zinc/12/28/97/396122897.db2.gz YYRULRZZUZDEDP-ZIAGYGMSSA-N 1 0 317.455 0.401 50 0 DCAARO C[C@H](NC(=O)C[NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000072267906 396128056 /nfs/dbraw/zinc/12/80/56/396128056.db2.gz YTUCELNNIBBZSI-WFASDCNBSA-N 1 0 309.385 0.923 50 0 DCAARO Cc1cc(C)n(CCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000072269509 396129195 /nfs/dbraw/zinc/12/91/95/396129195.db2.gz GLZSMOJQNJHFJO-HOTGVXAUSA-N 1 0 320.437 0.948 50 0 DCAARO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000069464146 396079330 /nfs/dbraw/zinc/07/93/30/396079330.db2.gz AQXLMMUIFYCMRM-ZDUSSCGKSA-N 1 0 313.423 0.571 50 0 DCAARO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCN(CCO)CC1 ZINC000069631574 396085490 /nfs/dbraw/zinc/08/54/90/396085490.db2.gz IPMCJQOYKYPPHX-KRWDZBQOSA-N 1 0 307.438 0.089 50 0 DCAARO COC(=O)[C@@H](F)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000076018444 396192206 /nfs/dbraw/zinc/19/22/06/396192206.db2.gz DHRKINHRJKVRHU-ZNMIVQPWSA-N 1 0 315.433 0.988 50 0 DCAARO C[C@H](Cn1cncn1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000076092580 396196602 /nfs/dbraw/zinc/19/66/02/396196602.db2.gz CZNIWFIEODTJID-CQSZACIVSA-N 1 0 321.425 0.818 50 0 DCAARO Cc1cccnc1N1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000077379612 396220324 /nfs/dbraw/zinc/22/03/24/396220324.db2.gz MIOGIFKFFXHSIS-HNNXBMFYSA-N 1 0 318.421 0.495 50 0 DCAARO CN(C(=O)CCn1cnc2ccccc2c1=O)[C@@H]1CC[NH2+]C1 ZINC000179090167 396221225 /nfs/dbraw/zinc/22/12/25/396221225.db2.gz JVKLYMAYYBXWHH-GFCCVEGCSA-N 1 0 300.362 0.607 50 0 DCAARO O=c1c2c3c(sc2ncn1CCN1CC[NH+]=C1[O-])C[NH2+]CC3 ZINC000077453364 396223295 /nfs/dbraw/zinc/22/32/95/396223295.db2.gz SDZJPHWOTALVKW-UHFFFAOYSA-N 1 0 319.390 0.129 50 0 DCAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)c1ccc(=O)n(C)n1 ZINC000584885252 396632012 /nfs/dbraw/zinc/63/20/12/396632012.db2.gz OEMSWFONSCWFOG-UHFFFAOYSA-N 1 0 312.373 0.998 50 0 DCAARO COC(=O)c1cc(O)cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000584889443 396632939 /nfs/dbraw/zinc/63/29/39/396632939.db2.gz KQEYRJNZFMEIHK-CYBMUJFWSA-N 1 0 321.377 0.154 50 0 DCAARO Cc1ncsc1C[NH+]1CCC2(CC1)N=C(N(C)C)NC2=O ZINC000584892752 396634034 /nfs/dbraw/zinc/63/40/34/396634034.db2.gz PWSFQRMROIJQAD-UHFFFAOYSA-N 1 0 307.423 0.834 50 0 DCAARO CN1CC[NH+](C[C@@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)CC1 ZINC000584896832 396635846 /nfs/dbraw/zinc/63/58/46/396635846.db2.gz ZHGGUSLRXXRSBV-INIZCTEOSA-N 1 0 319.453 0.828 50 0 DCAARO CCCN1C(=O)N[C@H](CC(=O)NCC(C)(C)[NH+]2CCCC2)C1=O ZINC000584901351 396637407 /nfs/dbraw/zinc/63/74/07/396637407.db2.gz GSJFZKXAYCPYFA-GFCCVEGCSA-N 1 0 324.425 0.698 50 0 DCAARO CCCCNC(=O)[C@H](C)N1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000585140775 396641364 /nfs/dbraw/zinc/64/13/64/396641364.db2.gz JJPWTNSGDLSSHQ-WDEREUQCSA-N 1 0 308.382 0.982 50 0 DCAARO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000585136541 396641420 /nfs/dbraw/zinc/64/14/20/396641420.db2.gz KCHRCXOXPDSIPJ-HUUCEWRRSA-N 1 0 324.425 0.400 50 0 DCAARO CS(=O)(=O)C[C@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000383292679 397276623 /nfs/dbraw/zinc/27/66/23/397276623.db2.gz LNLVQYYMPAPBHV-ZDUSSCGKSA-N 1 0 302.440 0.659 50 0 DCAARO CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000236766633 158633983 /nfs/dbraw/zinc/63/39/83/158633983.db2.gz TYYZZAFOKWMGRE-UHFFFAOYSA-N 1 0 322.409 0.307 50 0 DCAARO CCCS(=O)(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367655020 159349285 /nfs/dbraw/zinc/34/92/85/159349285.db2.gz BLIBNTBJEDSIFE-CQSZACIVSA-N 1 0 303.472 0.686 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc(OCC(N)=O)cc1 ZINC000254993030 287122143 /nfs/dbraw/zinc/12/21/43/287122143.db2.gz ZZEWECCMIWLIEN-KMSCOEIWSA-N 1 0 303.362 0.384 50 0 DCAARO COc1cccc(COC[C@H](O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000006936257 415138402 /nfs/dbraw/zinc/13/84/02/415138402.db2.gz UFBGSYVEMPFLMM-OAHLLOKOSA-N 1 0 322.405 0.770 50 0 DCAARO C[C@H]([N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)(C)C ZINC000027132832 415166713 /nfs/dbraw/zinc/16/67/13/415166713.db2.gz VAWAYJOZRRAJFD-VIFPVBQESA-N 1 0 310.398 0.215 50 0 DCAARO CN1N=C(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CCC1=O ZINC000044911279 415232363 /nfs/dbraw/zinc/23/23/63/415232363.db2.gz PRIWVUKZDBEHBM-ZDUSSCGKSA-N 1 0 322.409 0.308 50 0 DCAARO C[C@@H](CNS(=O)(=O)N1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000044936207 415234027 /nfs/dbraw/zinc/23/40/27/415234027.db2.gz XVIYCIQMWXWQAD-OLZOCXBDSA-N 1 0 305.444 0.273 50 0 DCAARO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269263528 415248179 /nfs/dbraw/zinc/24/81/79/415248179.db2.gz SKCALJRYXJQSLG-CAOSSQGBSA-N 1 0 304.390 0.993 50 0 DCAARO O=C(NC[C@@H]1CCS(=O)(=O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000048395743 415291904 /nfs/dbraw/zinc/29/19/04/415291904.db2.gz AKZLJIOBGWDSST-NSHDSACASA-N 1 0 315.439 0.347 50 0 DCAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000069489695 415400202 /nfs/dbraw/zinc/40/02/02/415400202.db2.gz GWQRXPVLKMABBF-NEPJUHHUSA-N 1 0 305.382 0.328 50 0 DCAARO [NH3+][C@H]1CN[C@H](C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000067435267 415374294 /nfs/dbraw/zinc/37/42/94/415374294.db2.gz SFIUVOPURYUJFA-ZJUUUORDSA-N 1 0 303.284 0.891 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(C(C)C)n[nH]1 ZINC000067725038 415384363 /nfs/dbraw/zinc/38/43/63/415384363.db2.gz WSHMQFPDUYIQAS-MFKMUULPSA-N 1 0 307.398 0.600 50 0 DCAARO Cn1nnc2cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)ccc21 ZINC000067789839 415386589 /nfs/dbraw/zinc/38/65/89/415386589.db2.gz CSMOBYFNSWCQKZ-CYBMUJFWSA-N 1 0 317.393 0.545 50 0 DCAARO CCn1ccnc1Cn1nc([C@H]2CCC[NH2+]C2)n(CC)c1=O ZINC000067688566 415387118 /nfs/dbraw/zinc/38/71/18/415387118.db2.gz MVJFZCAXVGZINP-LBPRGKRZSA-N 1 0 304.398 0.796 50 0 DCAARO C[N@@H+]1CCN2C[C@@H](NC(=O)c3onc4ccccc43)C[C@H]2C1 ZINC000067820732 415387254 /nfs/dbraw/zinc/38/72/54/415387254.db2.gz YXSFGCQKNHPGEU-RYUDHWBXSA-N 1 0 300.362 0.946 50 0 DCAARO C[C@@H](O)[C@H]([NH3+])C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082096388 415486864 /nfs/dbraw/zinc/48/68/64/415486864.db2.gz UUEHBNNNYIFSNT-MFKMUULPSA-N 1 0 318.377 0.120 50 0 DCAARO C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCN2c2cccnn2)CCO1 ZINC000075128854 415436822 /nfs/dbraw/zinc/43/68/22/415436822.db2.gz HIQSZBLUQHIAEJ-KGLIPLIRSA-N 1 0 319.409 0.282 50 0 DCAARO Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(=O)[nH]1 ZINC000075118570 415438691 /nfs/dbraw/zinc/43/86/91/415438691.db2.gz IGGKDWRTNACFIJ-ZDUSSCGKSA-N 1 0 307.394 0.770 50 0 DCAARO Cc1ccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]1 ZINC000075119339 415438990 /nfs/dbraw/zinc/43/89/90/415438990.db2.gz KXAINZUIGLLSBS-BETUJISGSA-N 1 0 307.394 0.912 50 0 DCAARO CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCC[NH+](C)C)c1C ZINC000075424197 415448320 /nfs/dbraw/zinc/44/83/20/415448320.db2.gz RXQNXULVJJISJF-UHFFFAOYSA-N 1 0 317.411 0.648 50 0 DCAARO COC(=O)C1(NC(=O)NC(=O)OC(C)(C)C)CC[NH2+]CC1 ZINC000077031574 415457656 /nfs/dbraw/zinc/45/76/56/415457656.db2.gz XDPCNIZPBOXBQA-UHFFFAOYSA-N 1 0 301.343 0.516 50 0 DCAARO Nc1nc(N2Cc3cnn(CCO)c3C2)c2c([nH+]1)CCCC2 ZINC000095388112 415558454 /nfs/dbraw/zinc/55/84/54/415558454.db2.gz OGSBOMPUFKEDFW-UHFFFAOYSA-N 1 0 300.366 0.647 50 0 DCAARO CC[C@H]1CN(CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C[C@H](C)O ZINC000106868219 415651235 /nfs/dbraw/zinc/65/12/35/415651235.db2.gz IMJJBLQJFNYULN-KBPBESRZSA-N 1 0 323.441 0.444 50 0 DCAARO Cn1cncc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000289848118 415724368 /nfs/dbraw/zinc/72/43/68/415724368.db2.gz VEPONDYMRWDBRN-UHFFFAOYSA-N 1 0 305.426 0.709 50 0 DCAARO CNc1cc(C)[nH+]c(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 ZINC000299758898 416064483 /nfs/dbraw/zinc/06/44/83/416064483.db2.gz LLRRFFVGMRLQEX-RYUDHWBXSA-N 1 0 301.354 0.768 50 0 DCAARO C[C@@H](O)[C@H]([NH3+])C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000299768524 416065181 /nfs/dbraw/zinc/06/51/81/416065181.db2.gz XXIFPIVCMKBAIH-OQPBUACISA-N 1 0 310.785 0.973 50 0 DCAARO COc1cc(C(=O)N[C@H]2CCOC2)cc(OC)c1OCCC[NH3+] ZINC000299773600 416066179 /nfs/dbraw/zinc/06/61/79/416066179.db2.gz GGEKLPXOQLRHTO-LBPRGKRZSA-N 1 0 324.377 0.950 50 0 DCAARO COc1ccc(C(=O)NCc2nc[nH]n2)cc1OCCC[NH3+] ZINC000299776089 416066696 /nfs/dbraw/zinc/06/66/96/416066696.db2.gz NBTBOQQGTXXGKI-UHFFFAOYSA-N 1 0 305.338 0.471 50 0 DCAARO Cc1ccc(C(=O)NC[C@H]2COCCO2)c(OCCC[NH3+])c1 ZINC000299795983 416071114 /nfs/dbraw/zinc/07/11/14/416071114.db2.gz NSVHBMBOGBXRPR-ZDUSSCGKSA-N 1 0 308.378 0.868 50 0 DCAARO NC(=O)c1cncc(N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000301520279 416085512 /nfs/dbraw/zinc/08/55/12/416085512.db2.gz CYYWKPBUYFJRQL-UHFFFAOYSA-N 1 0 319.409 0.657 50 0 DCAARO NC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000176827935 416135988 /nfs/dbraw/zinc/13/59/88/416135988.db2.gz NTLCHNIFPIFMHH-CYBMUJFWSA-N 1 0 324.425 0.100 50 0 DCAARO C[C@@H]1CCN(c2cc(N3CC[C@H](C)[C@@H](O)C3)ncn2)C[C@@H]1O ZINC000195567175 416326831 /nfs/dbraw/zinc/32/68/31/416326831.db2.gz RXJJRYAHUHAZLE-CRWXNKLISA-N 1 0 306.410 0.891 50 0 DCAARO Cn1cc(CC[N@H+](C)Cc2cccc(OCC(N)=O)c2)cn1 ZINC000215054395 416327007 /nfs/dbraw/zinc/32/70/07/416327007.db2.gz STHSQHZCDAJVEO-UHFFFAOYSA-N 1 0 302.378 0.959 50 0 DCAARO Cn1c(CCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)nc2ccccc21 ZINC000237729232 416328550 /nfs/dbraw/zinc/32/85/50/416328550.db2.gz LRFMFCZMIPJRCT-YPMHNXCESA-N 1 0 302.378 0.345 50 0 DCAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCn1cnnn1 ZINC000583652715 416481719 /nfs/dbraw/zinc/48/17/19/416481719.db2.gz SCMKJFYOBCIIAO-KBPBESRZSA-N 1 0 306.414 0.786 50 0 biogenic DCAARO Cn1cccc(C(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)c1=O ZINC000575415706 417534931 /nfs/dbraw/zinc/53/49/31/417534931.db2.gz UUDUGTNOMQEKEL-AWEZNQCLSA-N 1 0 319.405 0.616 50 0 DCAARO CC[C@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)[NH+]1CCCC1 ZINC000042498735 287855674 /nfs/dbraw/zinc/85/56/74/287855674.db2.gz KLGZDRAHYTZPDB-OLZOCXBDSA-N 1 0 317.455 0.401 50 0 DCAARO CNC(=O)[C@@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000097019824 277241471 /nfs/dbraw/zinc/24/14/71/277241471.db2.gz YVSQFZQASMCZDE-CQSZACIVSA-N 1 0 301.390 0.467 50 0 DCAARO Cc1sc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1S(N)(=O)=O ZINC000153252405 279282675 /nfs/dbraw/zinc/28/26/75/279282675.db2.gz VVUUMIVLDCSKKV-HTQZYQBOSA-N 1 0 317.436 0.526 50 0 DCAARO Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1C[C@H]3CCCC[C@H]3[NH2+]1)CC2 ZINC000252540189 279399767 /nfs/dbraw/zinc/39/97/67/279399767.db2.gz OWHFUWGGERUSJV-KYOSRNDESA-N 1 0 316.405 0.586 50 0 DCAARO CN1C(=O)C[C@@H](C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(F)cc1 ZINC000237062259 289819095 /nfs/dbraw/zinc/81/90/95/289819095.db2.gz XBDSJFLATDIBMO-UKRRQHHQSA-N 1 0 305.353 0.777 50 0 DCAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188128303 297017613 /nfs/dbraw/zinc/01/76/13/297017613.db2.gz JJEQNEGSXYMHMX-LJISPDSOSA-N 1 0 311.426 0.075 50 0 DCAARO Cc1nnc(SCCCNC(=O)C[C@H]2COCC[NH2+]2)s1 ZINC000072139082 293863126 /nfs/dbraw/zinc/86/31/26/293863126.db2.gz VSKVJVWHTFZKAN-JTQLQIEISA-N 1 0 316.452 0.823 50 0 DCAARO NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000095497522 295061456 /nfs/dbraw/zinc/06/14/56/295061456.db2.gz GYYNHVZTJOCQGW-ZDUSSCGKSA-N 1 0 319.409 0.170 50 0 DCAARO Cn1c(SCCN2CCCC2=O)nnc1[C@H]1CCC[NH2+]C1 ZINC000534575246 334287552 /nfs/dbraw/zinc/28/75/52/334287552.db2.gz ZEEMAKSMCUQPOW-NSHDSACASA-N 1 0 309.439 0.997 50 0 DCAARO CN1CC[NH+](CC2(CNc3ncccc3C(N)=O)CC2)CC1 ZINC000534592729 334294735 /nfs/dbraw/zinc/29/47/35/334294735.db2.gz GOPMVRGRLNCWAH-UHFFFAOYSA-N 1 0 303.410 0.620 50 0 DCAARO O=S(=O)(N[C@@H]1CC[NH2+]C[C@H]1O)c1cc(F)c(F)cc1F ZINC000534635645 334309390 /nfs/dbraw/zinc/30/93/90/334309390.db2.gz ZLWUSMLMHHLUBJ-NXEZZACHSA-N 1 0 310.297 0.105 50 0 DCAARO CN(C)C(=O)CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000534656056 334313692 /nfs/dbraw/zinc/31/36/92/334313692.db2.gz JVTYQHJCHAMGAD-UHFFFAOYSA-N 1 0 319.409 0.782 50 0 DCAARO C[C@H](CNC(=O)CN(C)C1CC[NH2+]CC1)Oc1cccnc1 ZINC000534656828 334314372 /nfs/dbraw/zinc/31/43/72/334314372.db2.gz GAYQZLKIKRZLEX-CYBMUJFWSA-N 1 0 306.410 0.649 50 0 DCAARO Cn1c(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)nc2c1cccc2F ZINC000262521366 534684723 /nfs/dbraw/zinc/68/47/23/534684723.db2.gz NVMRFXQDPOYGJR-ONGXEEELSA-N 1 0 306.341 0.094 50 0 DCAARO CCc1nc(CN(C)[C@@H]2CC[N@H+](CCn3cncn3)C2)no1 ZINC000083830411 545698351 /nfs/dbraw/zinc/69/83/51/545698351.db2.gz IOCYYUGLVLJFPE-GFCCVEGCSA-N 1 0 305.386 0.430 50 0 DCAARO Cc1cnc(CN(C)[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)o1 ZINC000084258806 545701112 /nfs/dbraw/zinc/70/11/12/545701112.db2.gz VYVUGDXFJYNVGB-GJZGRUSLSA-N 1 0 319.409 0.747 50 0 DCAARO CN1C(=O)[C@H]2C[N@H+](Cc3cnc(-c4ccccn4)nc3)C[C@H]2C1=O ZINC000215815378 545937374 /nfs/dbraw/zinc/93/73/74/545937374.db2.gz JISYMMJMISZZEA-BETUJISGSA-N 1 0 323.356 0.585 50 0 DCAARO CCn1cnnc1CCNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000222323755 545941812 /nfs/dbraw/zinc/94/18/12/545941812.db2.gz IVWWYSZGSSSCLO-UHFFFAOYSA-N 1 0 302.386 0.530 50 0 DCAARO C[C@H]1C(=O)N(C)CN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685942410 548747565 /nfs/dbraw/zinc/74/75/65/548747565.db2.gz PNZBYFBALBDTCH-JTQLQIEISA-N 1 0 305.382 0.479 50 0 DCAARO Cc1nc(C)n(CCCNC(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC000244874856 660602551 /nfs/dbraw/zinc/60/25/51/660602551.db2.gz XIJSGVHIMRPWIX-GFCCVEGCSA-N 1 0 309.414 0.370 50 0 DCAARO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000888093961 661158140 /nfs/dbraw/zinc/15/81/40/661158140.db2.gz OMXVJHHIOHOAQY-XJFOESAGSA-N 1 0 308.426 0.779 50 0 DCAARO CC[C@H]1CN(C(=O)c2c[nH]c3ncnn3c2=O)CC[N@@H+]1C(C)C ZINC000101896445 658320816 /nfs/dbraw/zinc/32/08/16/658320816.db2.gz SASVEBUSKQWRGQ-NSHDSACASA-N 1 0 318.381 0.362 50 0 DCAARO O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299923605 659663580 /nfs/dbraw/zinc/66/35/80/659663580.db2.gz WWUNEWVADWYIKB-QWRGUYRKSA-N 1 0 311.363 0.967 50 0 DCAARO CCn1cc(S(=O)(=O)N[C@@H]2C[N@H+](CC)CC2(C)C)cn1 ZINC000952993510 665873457 /nfs/dbraw/zinc/87/34/57/665873457.db2.gz NWHLBJRNPXOCIM-GFCCVEGCSA-N 1 0 300.428 0.912 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCc2ccc3nonc3c2)C1 ZINC000952964079 685598140 /nfs/dbraw/zinc/59/81/40/685598140.db2.gz NAIBLXSVQXRPCD-NSHDSACASA-N 1 0 317.349 0.036 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000952964992 685598446 /nfs/dbraw/zinc/59/84/46/685598446.db2.gz DZNYUDQFPRZZRQ-OCCSQVGLSA-N 1 0 323.368 0.173 50 0 DCAARO O=C([C@@H]1CC12CCC2)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000952977912 685601005 /nfs/dbraw/zinc/60/10/05/685601005.db2.gz WDOQHTFUBWXBMS-INIZCTEOSA-N 1 0 321.465 0.778 50 0 DCAARO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)c1ccncn1)CC2 ZINC000169789998 685141136 /nfs/dbraw/zinc/14/11/36/685141136.db2.gz GRECYELRSQOFSW-ZDUSSCGKSA-N 1 0 304.394 0.907 50 0 DCAARO C[N@@H+]1CCC[C@]2(CO)CCN(c3cc(NCCO)ncn3)C[C@@H]12 ZINC001704315495 1179970619 /nfs/dbraw/zinc/97/06/19/1179970619.db2.gz HBMUUTXLQDIHPT-CZUORRHYSA-N 1 0 321.425 0.164 50 0 DCAARO CCc1nccn1CCC(=O)N1C[C@H]2COC[C@@H]1C[N@H+](C)C2 ZINC001704314642 1179971474 /nfs/dbraw/zinc/97/14/74/1179971474.db2.gz VJSKWUKUQVCENZ-KBPBESRZSA-N 1 0 306.410 0.625 50 0 DCAARO CN(C)c1ncc(CN2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)cn1 ZINC001704340647 1179979198 /nfs/dbraw/zinc/97/91/98/1179979198.db2.gz LAEPQNKJCOPGSV-NVXWUHKLSA-N 1 0 319.453 0.821 50 0 DCAARO CCCn1cnnc1CNC(=O)C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000823031349 758218944 /nfs/dbraw/zinc/21/89/44/758218944.db2.gz WDVBTHDMXAJAQG-CYBMUJFWSA-N 1 0 309.414 0.804 50 0 DCAARO CCc1nc(S(=O)(=O)N2CCOC[C@H](C[NH+](C)C)C2)c[nH]1 ZINC000823484473 758249506 /nfs/dbraw/zinc/24/95/06/758249506.db2.gz GUVFXZWQELJMDZ-LLVKDONJSA-N 1 0 316.427 0.171 50 0 DCAARO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C(N)=O)cs2)C1 ZINC000823690494 758261716 /nfs/dbraw/zinc/26/17/16/758261716.db2.gz YRRNSASQRNFZCZ-SECBINFHSA-N 1 0 317.436 0.419 50 0 DCAARO C[C@H](Cc1ccccn1)[NH+]1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000200513879 761727968 /nfs/dbraw/zinc/72/79/68/761727968.db2.gz XWOPPZOCLLSYJY-CQSZACIVSA-N 1 0 313.405 0.929 50 0 DCAARO COc1cccnc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000952884299 768953393 /nfs/dbraw/zinc/95/33/93/768953393.db2.gz XHLHZKUCSLWLCT-NEPJUHHUSA-N 1 0 307.398 0.846 50 0 DCAARO Cc1cc(C[C@@H]2C[N@H+](CC(C)(C)N3CCOCC3)C[C@@H]2O)on1 ZINC001529185334 1014515189 /nfs/dbraw/zinc/51/51/89/1014515189.db2.gz LANGAXNRXQSSHL-ZBFHGGJFSA-N 1 0 323.437 0.929 50 0 DCAARO Cc1cc(C)n(C[C@H](C)[N@@H+]2CCCN(CC(=O)N(C)C)CC2)n1 ZINC001506420882 1017265627 /nfs/dbraw/zinc/26/56/27/1017265627.db2.gz CEUWWQYFHSPEAK-INIZCTEOSA-N 1 0 321.469 0.984 50 0 DCAARO C[C@@H](CNC(=O)Cc1ccccc1O)C[NH+]1CCN(C)CC1 ZINC000081765035 192321934 /nfs/dbraw/zinc/32/19/34/192321934.db2.gz QDIPFULOCUHLBX-AWEZNQCLSA-N 1 0 305.422 0.934 50 0 DCAARO [NH3+]CC[C@@H]1CN(C(=O)Cn2sc3ccccc3c2=O)CCO1 ZINC000095497947 185374533 /nfs/dbraw/zinc/37/45/33/185374533.db2.gz WDHJCIGYRONSBY-LLVKDONJSA-N 1 0 321.402 0.639 50 0 DCAARO O=C(NC1CCOCC1)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000082098242 192355381 /nfs/dbraw/zinc/35/53/81/192355381.db2.gz ZJKAWGPCMRBYGH-GFCCVEGCSA-N 1 0 307.398 0.719 50 0 DCAARO C[C@H](O)C[NH+]1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000070036381 190851093 /nfs/dbraw/zinc/85/10/93/190851093.db2.gz NZGGYERQOISOST-XHDPSFHLSA-N 1 0 300.349 0.997 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000071712050 191011566 /nfs/dbraw/zinc/01/15/66/191011566.db2.gz BPOGWOCTBDRBRL-CYBMUJFWSA-N 1 0 305.426 0.832 50 0 DCAARO Cc1nnc(SCCCNC(=O)C[C@@H]2COCC[NH2+]2)s1 ZINC000072139081 191047379 /nfs/dbraw/zinc/04/73/79/191047379.db2.gz VSKVJVWHTFZKAN-SNVBAGLBSA-N 1 0 316.452 0.823 50 0 DCAARO COc1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(OC)n1 ZINC000072145635 191051605 /nfs/dbraw/zinc/05/16/05/191051605.db2.gz MGUHCTQTXDTDSC-MRXNPFEDSA-N 1 0 323.393 0.628 50 0 DCAARO Cc1ncc2c(c1CNC(=O)[C@H](NC(N)=O)C(C)C)CC[NH2+]C2 ZINC000072157711 191061415 /nfs/dbraw/zinc/06/14/15/191061415.db2.gz OYNLOVJJUZMAIT-CQSZACIVSA-N 1 0 319.409 0.345 50 0 DCAARO Cc1nn(CCNC(=O)C[C@@H]2COCC[NH2+]2)c(C)c1Cl ZINC000072164649 191064826 /nfs/dbraw/zinc/06/48/26/191064826.db2.gz VBEULHBJICBKEP-LLVKDONJSA-N 1 0 300.790 0.648 50 0 DCAARO CC(C)(C)c1cc(CN2CCO[C@]3(C2)C[NH2+]CCOC3)[nH]n1 ZINC000072169566 191067893 /nfs/dbraw/zinc/06/78/93/191067893.db2.gz OSEAOTDPKBIHQE-INIZCTEOSA-N 1 0 308.426 0.898 50 0 DCAARO OC[C@H]1CCCN1c1cc(N2CC[NH+](CC3CC3)CC2)ncn1 ZINC000072276145 191097993 /nfs/dbraw/zinc/09/79/93/191097993.db2.gz TYVKYKZPNNURFA-OAHLLOKOSA-N 1 0 317.437 0.970 50 0 DCAARO COC(=O)C1[C@@H](c2c[nH]c3ccccc32)[C@H](C(=O)OC)O[N+]1=O ZINC000000192323 180721005 /nfs/dbraw/zinc/72/10/05/180721005.db2.gz GGDHLOFDJQLUTD-DGCLKSJQSA-N 1 0 318.285 0.863 50 0 DCAARO COC(=O)c1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000002291970 180918327 /nfs/dbraw/zinc/91/83/27/180918327.db2.gz PCYWAOQQHYUUHO-UHFFFAOYSA-N 1 0 307.350 0.480 50 0 DCAARO CCCS(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000004712040 181141277 /nfs/dbraw/zinc/14/12/77/181141277.db2.gz PZMJGGCXCHFZOI-UHFFFAOYSA-N 1 0 305.444 0.116 50 0 DCAARO CCOc1ccccc1N1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000236953817 202092450 /nfs/dbraw/zinc/09/24/50/202092450.db2.gz RETJPKJVOFGKHD-KBPBESRZSA-N 1 0 319.405 0.457 50 0 DCAARO C[C@@H]1CCCN(C(=O)Cn2c3ccccc3[nH]c2=O)[C@H]1C[NH3+] ZINC000237414376 202259950 /nfs/dbraw/zinc/25/99/50/202259950.db2.gz YGMFSMANZWKMON-RISCZKNCSA-N 1 0 302.378 0.915 50 0 DCAARO C[C@@H]1CCCN(C(=O)Cn2c3ccccc3[nH]c2=O)[C@@H]1C[NH3+] ZINC000237414352 202259079 /nfs/dbraw/zinc/25/90/79/202259079.db2.gz YGMFSMANZWKMON-BXUZGUMPSA-N 1 0 302.378 0.915 50 0 DCAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C1(O)CCC1 ZINC000184607042 237291836 /nfs/dbraw/zinc/29/18/36/237291836.db2.gz ZKJKDESIVUATCF-UHFFFAOYSA-N 1 0 317.433 0.835 50 0 DCAARO CNC(=O)CCC[N@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000154799024 291215547 /nfs/dbraw/zinc/21/55/47/291215547.db2.gz SHQWNYQUIFFMDU-CYBMUJFWSA-N 1 0 307.398 0.374 50 0 DCAARO CCc1[nH+]c(N)nc(N(C)Cc2nncn2CCOC)c1C ZINC000091440964 193056456 /nfs/dbraw/zinc/05/64/56/193056456.db2.gz ZRFAYBWZLYGNTK-UHFFFAOYSA-N 1 0 305.386 0.804 50 0 DCAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cn1nnnc1C)C2 ZINC000091552077 193072320 /nfs/dbraw/zinc/07/23/20/193072320.db2.gz NXTXVCQFFXUUAP-HUUCEWRRSA-N 1 0 318.425 0.871 50 0 DCAARO CC(C)[C@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@@H]1[NH+](C)C ZINC000091551559 193073004 /nfs/dbraw/zinc/07/30/04/193073004.db2.gz LZWIIWMKPOUNPH-NEPJUHHUSA-N 1 0 300.428 0.627 50 0 DCAARO Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCCNc1cc(C)cc[nH+]1 ZINC000091587005 193075663 /nfs/dbraw/zinc/07/56/63/193075663.db2.gz YDESZFUGKLLNIY-CQSZACIVSA-N 1 0 302.382 0.958 50 0 DCAARO CC(C)(C)OC(=O)NC1C[C@H]2CS(=O)(=O)C[C@@H](C1)C2[NH3+] ZINC000091675887 193089682 /nfs/dbraw/zinc/08/96/82/193089682.db2.gz BSHCPZWFQFQQCW-IXBNRNDTSA-N 1 0 304.412 0.662 50 0 DCAARO CCC[C@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@@H]1[NH3+] ZINC000091713090 193095917 /nfs/dbraw/zinc/09/59/17/193095917.db2.gz CPSPCORGCKZTHK-QWRGUYRKSA-N 1 0 316.361 0.416 50 0 DCAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2cccc(CO)n2)C[C@@H]1CO ZINC000091636431 193082172 /nfs/dbraw/zinc/08/21/72/193082172.db2.gz UCAJEIZSBXZRHL-CHWSQXEVSA-N 1 0 307.394 0.206 50 0 DCAARO COCC1(C(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000091997889 193140015 /nfs/dbraw/zinc/14/00/15/193140015.db2.gz PZSQCPZFYQTRRR-CABCVRRESA-N 1 0 310.438 0.966 50 0 DCAARO Nc1ncccc1C[N@@H+]1CC[C@]2(C1)CCCN(CCO)C2=O ZINC000092004578 193140031 /nfs/dbraw/zinc/14/00/31/193140031.db2.gz HZUDRAKPLWZGQQ-INIZCTEOSA-N 1 0 304.394 0.471 50 0 DCAARO Cc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(=O)[nH]1 ZINC000219349941 201555486 /nfs/dbraw/zinc/55/54/86/201555486.db2.gz WVOACVAWEFCYCC-UHFFFAOYSA-N 1 0 305.378 0.620 50 0 DCAARO O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)c1cnc2n1CCC2 ZINC000253416070 202876779 /nfs/dbraw/zinc/87/67/79/202876779.db2.gz VHTGZBJSZLFMJV-UHFFFAOYSA-N 1 0 318.402 0.911 50 0 DCAARO CC(=O)Nc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000020029117 182181518 /nfs/dbraw/zinc/18/15/18/182181518.db2.gz SAXWSIBQQXTUIL-OAHLLOKOSA-N 1 0 307.394 0.632 50 0 DCAARO COc1ccc(CNC(=O)C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000022999014 182344354 /nfs/dbraw/zinc/34/43/54/182344354.db2.gz KUZPPYJSRMLAJI-UHFFFAOYSA-N 1 0 319.405 0.769 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)C(=O)NC2CCCC2)CC1 ZINC000023127336 182349521 /nfs/dbraw/zinc/34/95/21/182349521.db2.gz JSOJIJQTSFEAQY-UHFFFAOYSA-N 1 0 311.426 0.520 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000040288274 183052293 /nfs/dbraw/zinc/05/22/93/183052293.db2.gz PDSOVUDCPFIMBJ-LBPRGKRZSA-N 1 0 307.398 0.576 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2ccccc2c1=O ZINC000040496631 183081006 /nfs/dbraw/zinc/08/10/06/183081006.db2.gz XGUHPWDVIPPJTP-CQSZACIVSA-N 1 0 314.389 0.997 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1C[C@H]1COc2ccccc2C1 ZINC000077389296 284872208 /nfs/dbraw/zinc/87/22/08/284872208.db2.gz QBURBUMCDVRMAD-LBPRGKRZSA-N 1 0 315.373 0.912 50 0 DCAARO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+](CC)CCO)c1 ZINC000058007151 184066796 /nfs/dbraw/zinc/06/67/96/184066796.db2.gz DVXQBSSMANCWIB-CQSZACIVSA-N 1 0 311.378 0.917 50 0 DCAARO NC(=O)[C@@H]1CCCC[N@@H+]1CCCc1nnnn1-c1ccccc1 ZINC000058131233 184078782 /nfs/dbraw/zinc/07/87/82/184078782.db2.gz CBMBEUBOLYICQT-AWEZNQCLSA-N 1 0 314.393 0.935 50 0 DCAARO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000058421051 184116079 /nfs/dbraw/zinc/11/60/79/184116079.db2.gz NCRLLQIQJBMJGZ-KGLIPLIRSA-N 1 0 305.422 0.988 50 0 DCAARO O=C(Cn1cnnn1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063119796 184271981 /nfs/dbraw/zinc/27/19/81/184271981.db2.gz MTELEXUETJICHT-UHFFFAOYSA-N 1 0 314.393 0.702 50 0 DCAARO NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000065536987 184362309 /nfs/dbraw/zinc/36/23/09/184362309.db2.gz BLRPMIALKXHSPO-LLVKDONJSA-N 1 0 324.406 0.692 50 0 DCAARO CCn1c(=O)n(CCn2ccc(C)n2)nc1C1CC[NH2+]CC1 ZINC000065494735 184354888 /nfs/dbraw/zinc/35/48/88/184354888.db2.gz PTOHLWGGWHWLDN-UHFFFAOYSA-N 1 0 304.398 0.737 50 0 DCAARO Cc1cc(C)c2c(OCC(=O)N(C)[C@@H]3CC[NH2+]C3)nn(C)c2n1 ZINC000299739999 291829419 /nfs/dbraw/zinc/82/94/19/291829419.db2.gz UOWRJGOOKNNCSE-GFCCVEGCSA-N 1 0 317.393 0.784 50 0 DCAARO Cc1nccn1CCN(C)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C ZINC000244678508 256605531 /nfs/dbraw/zinc/60/55/31/256605531.db2.gz IEXJOBVNEFQLGX-JOCQHMNTSA-N 1 0 303.414 0.657 50 0 DCAARO C[C@@H]1CN(C(=O)Cc2csc(-c3nc[nH]n3)n2)C[C@@H](C)[NH2+]1 ZINC000153954463 257240167 /nfs/dbraw/zinc/24/01/67/257240167.db2.gz XVRJZFLAYRBVKH-RKDXNWHRSA-N 1 0 306.395 0.680 50 0 DCAARO CN1CCc2ccc(C(=O)N3CCN(CC[NH+](C)C)CC3)cc21 ZINC000097096725 257240349 /nfs/dbraw/zinc/24/03/49/257240349.db2.gz KYZLPZDXNLARAV-UHFFFAOYSA-N 1 0 316.449 0.998 50 0 DCAARO CC(C)c1nccc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000426623188 257245323 /nfs/dbraw/zinc/24/53/23/257245323.db2.gz HPOJBXRDAZCWGE-LBPRGKRZSA-N 1 0 319.409 0.527 50 0 DCAARO [NH3+]CCOc1cccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000426584960 257245842 /nfs/dbraw/zinc/24/58/42/257245842.db2.gz YKTUDEUYOPUASU-HOTGVXAUSA-N 1 0 319.405 0.305 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(C)c(OCC[NH3+])c1 ZINC000426535240 257246899 /nfs/dbraw/zinc/24/68/99/257246899.db2.gz UGZXMTNWLHFRPW-HOCLYGCPSA-N 1 0 321.421 0.781 50 0 DCAARO [NH3+]CCCOc1ccc(C(=O)N[C@H]2CCNC2=O)cc1Cl ZINC000426548764 257247196 /nfs/dbraw/zinc/24/71/96/257247196.db2.gz KLYGOBXPTSXTCX-NSHDSACASA-N 1 0 311.769 0.686 50 0 DCAARO CO[C@]12CC[N@H+](CC(N)=O)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426512038 257247390 /nfs/dbraw/zinc/24/73/90/257247390.db2.gz GCNMZOLLHYMRJJ-DVOMOZLQSA-N 1 0 305.378 0.958 50 0 DCAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000008429096 395684661 /nfs/dbraw/zinc/68/46/61/395684661.db2.gz TYLGDHGSPGYSOM-GDBMZVCRSA-N 1 0 321.421 0.686 50 0 DCAARO C[NH+](C)CC(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000012299226 395687528 /nfs/dbraw/zinc/68/75/28/395687528.db2.gz XXHYJQXXLWZDFJ-CQSZACIVSA-N 1 0 307.369 0.647 50 0 DCAARO Cc1ccc(Cl)c(OC[C@H](O)C[NH+](CCO)CCO)c1 ZINC000002359764 395681479 /nfs/dbraw/zinc/68/14/79/395681479.db2.gz CMLATRHHORKTLL-GFCCVEGCSA-N 1 0 303.786 0.675 50 0 DCAARO C[NH+](C)CCNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000002368927 395681510 /nfs/dbraw/zinc/68/15/10/395681510.db2.gz VJYAGIFYTJCEBG-UHFFFAOYSA-N 1 0 303.362 0.741 50 0 DCAARO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC000089314282 395709884 /nfs/dbraw/zinc/70/98/84/395709884.db2.gz SWGIYMXLVUUNIR-ZDUSSCGKSA-N 1 0 324.812 0.912 50 0 DCAARO Cc1nn(C)c(C)c1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000089505727 395712592 /nfs/dbraw/zinc/71/25/92/395712592.db2.gz IEKSBWHLPOVXPY-JKSUJKDBSA-N 1 0 320.437 0.637 50 0 DCAARO C[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCN1c1nccs1 ZINC000089939424 395717060 /nfs/dbraw/zinc/71/70/60/395717060.db2.gz RYNPKSKGADQNJQ-STQMWFEESA-N 1 0 307.423 0.911 50 0 DCAARO CC[C@H](CO)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000089943596 395717752 /nfs/dbraw/zinc/71/77/52/395717752.db2.gz UPBNGEYCRWBXKP-CQSZACIVSA-N 1 0 321.425 0.404 50 0 DCAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000040490106 395734342 /nfs/dbraw/zinc/73/43/42/395734342.db2.gz NIUZIWCOHFOZQB-XHDPSFHLSA-N 1 0 317.389 0.996 50 0 DCAARO COc1ccccc1C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000096404227 395752939 /nfs/dbraw/zinc/75/29/39/395752939.db2.gz VHASSLJSSXNWED-UHFFFAOYSA-N 1 0 314.407 0.447 50 0 DCAARO NC(=O)c1ccnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000096429484 395753505 /nfs/dbraw/zinc/75/35/05/395753505.db2.gz ISTRPHWXJJVNMW-ZDUSSCGKSA-N 1 0 304.394 0.729 50 0 DCAARO CC(C)[N@H+](C)CCNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000096439892 395753520 /nfs/dbraw/zinc/75/35/20/395753520.db2.gz XIFOLFISWUZWLH-UHFFFAOYSA-N 1 0 309.414 0.842 50 0 DCAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2nccn(C)c2=O)C1 ZINC000097375155 395757336 /nfs/dbraw/zinc/75/73/36/395757336.db2.gz FOAFFPAUSKXQFU-LBPRGKRZSA-N 1 0 307.398 0.976 50 0 DCAARO O[C@H](C[NH2+]C[C@@H]1CCCN1c1cccnn1)Cn1cccn1 ZINC000106908686 395784632 /nfs/dbraw/zinc/78/46/32/395784632.db2.gz JUNUMULWZGFFBE-UONOGXRCSA-N 1 0 302.382 0.293 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2C)CC1 ZINC000107354840 395785661 /nfs/dbraw/zinc/78/56/61/395785661.db2.gz JPUCDDWRABFHSB-WBMJQRKESA-N 1 0 306.410 0.967 50 0 DCAARO O=C(NC[C@H](O)CN1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000195546301 395831874 /nfs/dbraw/zinc/83/18/74/395831874.db2.gz QLRMHIGSSZAHPJ-NSHDSACASA-N 1 0 316.760 0.902 50 0 DCAARO C[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCN1CC(F)(F)F ZINC000195547033 395831962 /nfs/dbraw/zinc/83/19/62/395831962.db2.gz LEKPLBJWDRZMGE-WDEREUQCSA-N 1 0 309.332 0.412 50 0 DCAARO COc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(F)c1F ZINC000219347639 395845334 /nfs/dbraw/zinc/84/53/34/395845334.db2.gz IXVBVGHOMPLDJE-JTQLQIEISA-N 1 0 313.348 0.949 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(Cc2ccsc2)CC1 ZINC000051204657 395848487 /nfs/dbraw/zinc/84/84/87/395848487.db2.gz LTILSCVNBUPWRO-OAHLLOKOSA-N 1 0 323.462 0.849 50 0 DCAARO COc1ccnc(C(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000221200445 395850254 /nfs/dbraw/zinc/85/02/54/395850254.db2.gz VJRIQYURZZAUPP-UHFFFAOYSA-N 1 0 306.410 0.846 50 0 DCAARO [NH3+]C1CC(c2cc(NCc3nc(-c4cnccn4)n[nH]3)ncn2)C1 ZINC000222256928 395851965 /nfs/dbraw/zinc/85/19/65/395851965.db2.gz JRMXYKDXJPOKMT-UHFFFAOYSA-N 1 0 323.364 0.869 50 0 DCAARO Cc1n[nH]c(C)c1CCCNC(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000222555437 395852617 /nfs/dbraw/zinc/85/26/17/395852617.db2.gz KARQJBPVCSJWRO-CQSZACIVSA-N 1 0 307.442 0.711 50 0 DCAARO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC000109284616 395797384 /nfs/dbraw/zinc/79/73/84/395797384.db2.gz VXOCZCVOZJMPDT-INIZCTEOSA-N 1 0 320.437 0.882 50 0 DCAARO COc1cc2c(cc1OC)CN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)CC2 ZINC000237408247 395912005 /nfs/dbraw/zinc/91/20/05/395912005.db2.gz FNUMAPYUXRTKOO-QWHCGFSZSA-N 1 0 306.362 0.311 50 0 DCAARO COCC[N@@H+]1CC[C@@H](C(=O)NCCCn2ccccc2=O)C1 ZINC000244898797 395925853 /nfs/dbraw/zinc/92/58/53/395925853.db2.gz ZBSNZWAGJRJCLW-CQSZACIVSA-N 1 0 307.394 0.323 50 0 DCAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1COCCN1 ZINC000132012757 395926028 /nfs/dbraw/zinc/92/60/28/395926028.db2.gz NVJVFKSJZKPWSF-MRXNPFEDSA-N 1 0 303.406 0.756 50 0 DCAARO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000229312641 395874066 /nfs/dbraw/zinc/87/40/66/395874066.db2.gz HQFVOSOXLBMAQP-HWWQOWPSSA-N 1 0 324.425 0.553 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000229560334 395875390 /nfs/dbraw/zinc/87/53/90/395875390.db2.gz HURKSGFQDCUOKR-CWRNSKLLSA-N 1 0 323.437 0.709 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C)CC1 ZINC000229828894 395876751 /nfs/dbraw/zinc/87/67/51/395876751.db2.gz KIIALSPDIRDJSJ-BHYGNILZSA-N 1 0 309.454 0.897 50 0 DCAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000246837230 395958631 /nfs/dbraw/zinc/95/86/31/395958631.db2.gz CXARFAHOHLXJRA-YPMHNXCESA-N 1 0 323.418 0.643 50 0 DCAARO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000247506502 395975276 /nfs/dbraw/zinc/97/52/76/395975276.db2.gz HCSCPAIDTALWEC-YNEHKIRRSA-N 1 0 315.439 0.153 50 0 DCAARO CNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]([NH2+]C)C2)c1 ZINC000150989772 395977012 /nfs/dbraw/zinc/97/70/12/395977012.db2.gz UMEPXUYZRPVVJX-SECBINFHSA-N 1 0 317.436 0.480 50 0 DCAARO O=C1CCCN1C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1C1CCCCC1 ZINC000252516554 396022217 /nfs/dbraw/zinc/02/22/17/396022217.db2.gz UDGQOHDUCLNXRM-JYJNAYRXSA-N 1 0 310.438 0.985 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1sc(OC)nc1C ZINC000067514458 396027634 /nfs/dbraw/zinc/02/76/34/396027634.db2.gz AVRGIPMFCIATKI-BDAKNGLRSA-N 1 0 312.395 0.138 50 0 DCAARO Cn1nc(C(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)c2ccccc21 ZINC000257184534 396034127 /nfs/dbraw/zinc/03/41/27/396034127.db2.gz IQDHGTICEWLODU-SMDDNHRTSA-N 1 0 302.378 0.568 50 0 DCAARO Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CO)n1 ZINC000257182024 396034449 /nfs/dbraw/zinc/03/44/49/396034449.db2.gz GCRNCHODIFRPNV-XJKSGUPXSA-N 1 0 319.405 0.592 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(Cc2ccc(C)o2)CC1 ZINC000257191052 396035025 /nfs/dbraw/zinc/03/50/25/396035025.db2.gz OUEHUWNODQXNSJ-ZBFHGGJFSA-N 1 0 321.421 0.734 50 0 DCAARO Cc1noc([C@@]23CN(CCO)C[C@@H]2CC[N@@H+](CC(C)C)C3)n1 ZINC000257190064 396035459 /nfs/dbraw/zinc/03/54/59/396035459.db2.gz LAZGMBCXAVWCTM-HOCLYGCPSA-N 1 0 308.426 0.902 50 0 DCAARO CN1CC[N@@H+]2C[C@@H](NC(=O)Cc3cn4ccsc4n3)C[C@H]2C1 ZINC000067847145 396035928 /nfs/dbraw/zinc/03/59/28/396035928.db2.gz KOURFEXQFDTWCS-AAEUAGOBSA-N 1 0 319.434 0.443 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(-c2ccccc2)no1 ZINC000067855720 396036097 /nfs/dbraw/zinc/03/60/97/396036097.db2.gz TZANCSVUBZJMQU-WFASDCNBSA-N 1 0 300.362 0.989 50 0 DCAARO C[C@@H]1C[N@@H+](CCC(=O)NCC[C@H]2CN(C)CCO2)C[C@H](C)O1 ZINC000067881646 396038160 /nfs/dbraw/zinc/03/81/60/396038160.db2.gz VJENAROFBRTPNC-ZNMIVQPWSA-N 1 0 313.442 0.323 50 0 DCAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1)C1CC1 ZINC000257366180 396046616 /nfs/dbraw/zinc/04/66/16/396046616.db2.gz MISFJFNXPIYAGY-IETSOEAISA-N 1 0 322.409 0.211 50 0 DCAARO Cc1cc(C)n(CCCNC(=O)CN2CC[C@H]([NH+](C)C)C2)n1 ZINC000252494846 396021086 /nfs/dbraw/zinc/02/10/86/396021086.db2.gz OGLUZTVEXZTLMD-HNNXBMFYSA-N 1 0 307.442 0.642 50 0 DCAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)no1 ZINC000069659316 396086424 /nfs/dbraw/zinc/08/64/24/396086424.db2.gz IEIIRZILASADGQ-MWLCHTKSSA-N 1 0 304.354 0.815 50 0 DCAARO CC(=O)N1CCN(CC[NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000069680934 396086700 /nfs/dbraw/zinc/08/67/00/396086700.db2.gz GSYNJIAXCYPYKO-UHFFFAOYSA-N 1 0 307.442 0.892 50 0 DCAARO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000069701280 396086708 /nfs/dbraw/zinc/08/67/08/396086708.db2.gz HEPOFEPIAWFAKW-SJORKVTESA-N 1 0 317.433 0.958 50 0 DCAARO Cc1noc(C)c1CN1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000165456186 396088776 /nfs/dbraw/zinc/08/87/76/396088776.db2.gz LYUPWVSDWGCXBY-AWEZNQCLSA-N 1 0 306.410 0.935 50 0 DCAARO C[NH+](C)C[C@H]1CN(C[C@H](O)COc2ccc(F)cc2)CCO1 ZINC000069819109 396090755 /nfs/dbraw/zinc/09/07/55/396090755.db2.gz FXWJXDPHXCUOQR-HOCLYGCPSA-N 1 0 312.385 0.828 50 0 DCAARO COc1cccc(CNC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000069840892 396092034 /nfs/dbraw/zinc/09/20/34/396092034.db2.gz UXPJTAZZBDUODS-CZUORRHYSA-N 1 0 321.421 0.620 50 0 DCAARO Cc1cccn2c(=O)cc(C[NH2+][C@@H]3CCc4ncnn4C3)nc12 ZINC000069873110 396092727 /nfs/dbraw/zinc/09/27/27/396092727.db2.gz XGUQJMOPOLKDQW-GFCCVEGCSA-N 1 0 310.361 0.699 50 0 DCAARO COc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2C[NH+](C)C)cc1OC ZINC000169790637 396093379 /nfs/dbraw/zinc/09/33/79/396093379.db2.gz ZBPTURBTZYVHKH-ZIAGYGMSSA-N 1 0 321.421 0.925 50 0 DCAARO O[C@@H](C[NH2+][C@@H]1CCc2ncnn2C1)COc1ccc(F)cc1 ZINC000069876529 396093506 /nfs/dbraw/zinc/09/35/06/396093506.db2.gz UFJPMQIAPNNYMX-OLZOCXBDSA-N 1 0 306.341 0.762 50 0 DCAARO Cc1ccc(N2CCC[C@H]([NH2+]CC(=O)NCC3CC3)C2)nn1 ZINC000069921076 396094565 /nfs/dbraw/zinc/09/45/65/396094565.db2.gz PGIAMHBDLPXCMV-AWEZNQCLSA-N 1 0 303.410 0.870 50 0 DCAARO C[C@H]1C[NH+](CC2CCN(CCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000069951752 396095938 /nfs/dbraw/zinc/09/59/38/396095938.db2.gz UDJOUDSOYQXRQO-STQMWFEESA-N 1 0 319.471 0.096 50 0 DCAARO C[NH+](C)C[C@H]1CN(CC(=O)NCCOc2ccccc2)CCO1 ZINC000069969874 396096417 /nfs/dbraw/zinc/09/64/17/396096417.db2.gz SHCXNIPKSIBCQY-INIZCTEOSA-N 1 0 321.421 0.444 50 0 DCAARO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069981802 396097377 /nfs/dbraw/zinc/09/73/77/396097377.db2.gz ORYNBXPUVREIMP-VXGBXAGGSA-N 1 0 317.397 0.987 50 0 DCAARO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000070009335 396097447 /nfs/dbraw/zinc/09/74/47/396097447.db2.gz WNFOXZFGTKIXAK-STQMWFEESA-N 1 0 324.425 0.684 50 0 DCAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cccn2)C[C@@H](C)O1 ZINC000071875541 396120552 /nfs/dbraw/zinc/12/05/52/396120552.db2.gz ZQUQDFXKUSWTAW-RBSFLKMASA-N 1 0 306.410 0.983 50 0 DCAARO C[N@H+](C[C@H](O)Cn1cccn1)C[C@@H]1CCCN1c1cccnn1 ZINC000071877486 396121623 /nfs/dbraw/zinc/12/16/23/396121623.db2.gz PEUZKZHFKNOAHV-GJZGRUSLSA-N 1 0 316.409 0.635 50 0 DCAARO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2CCCO2)CC1 ZINC000071920297 396125458 /nfs/dbraw/zinc/12/54/58/396125458.db2.gz HSPFMSDZQGOZIA-CABCVRRESA-N 1 0 312.458 0.738 50 0 DCAARO COc1ccccc1[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000072267954 396128274 /nfs/dbraw/zinc/12/82/74/396128274.db2.gz PMWZLYOHLJQFDJ-UONOGXRCSA-N 1 0 321.421 0.793 50 0 DCAARO CCn1ccnc1CN1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000069418151 396077854 /nfs/dbraw/zinc/07/78/54/396077854.db2.gz HQCIXKJPPRABTL-HNNXBMFYSA-N 1 0 318.425 0.278 50 0 DCAARO CN1CCO[C@@H](C[NH2+]CCC(=O)N2CCc3sccc3C2)C1 ZINC000069589936 396083753 /nfs/dbraw/zinc/08/37/53/396083753.db2.gz YHPOGGSTFYPFKJ-AWEZNQCLSA-N 1 0 323.462 0.943 50 0 DCAARO CN1CCO[C@H](C[NH2+]CCC(=O)N2CCc3sccc3C2)C1 ZINC000069589929 396083851 /nfs/dbraw/zinc/08/38/51/396083851.db2.gz YHPOGGSTFYPFKJ-CQSZACIVSA-N 1 0 323.462 0.943 50 0 DCAARO CCn1nc2c(cc1=O)C[N@@H+](CCCN1CCCC1=O)CC2 ZINC000076064473 396195983 /nfs/dbraw/zinc/19/59/83/396195983.db2.gz RCRXOPIAJIMVAT-UHFFFAOYSA-N 1 0 304.394 0.634 50 0 DCAARO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000078788620 396254214 /nfs/dbraw/zinc/25/42/14/396254214.db2.gz NDZKSJQLUUURKT-OAGGEKHMSA-N 1 0 309.454 0.918 50 0 DCAARO Cn1cc(CCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078788832 396254318 /nfs/dbraw/zinc/25/43/18/396254318.db2.gz XYNWXBFIHHGDJA-GJZGRUSLSA-N 1 0 306.410 0.410 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3nccn3C)C[C@@H]2C)CC1 ZINC000078896245 396257447 /nfs/dbraw/zinc/25/74/47/396257447.db2.gz FGNAURCBEZQFSG-HOCLYGCPSA-N 1 0 319.453 0.795 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2c(c1)CCC2 ZINC000077302373 396218274 /nfs/dbraw/zinc/21/82/74/396218274.db2.gz SGSFXBBHKAMURH-GJZGRUSLSA-N 1 0 301.390 0.853 50 0 DCAARO COc1ccc(CCN2C(=O)NC3(CC[NH2+]CC3)C2=O)cc1 ZINC000077356735 396219620 /nfs/dbraw/zinc/21/96/20/396219620.db2.gz KYYAQHJTWOATOS-UHFFFAOYSA-N 1 0 303.362 0.912 50 0 DCAARO O=C(c1ccccc1)C1CCN(C[C@@]2(O)C[NH2+]CCOC2)CC1 ZINC000077377169 396220242 /nfs/dbraw/zinc/22/02/42/396220242.db2.gz IOOXTHIMHMGNNH-SFHVURJKSA-N 1 0 318.417 0.932 50 0 DCAARO Cc1cnn(CCCN2CCOC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077394169 396221550 /nfs/dbraw/zinc/22/15/50/396221550.db2.gz IBLCKSUBRGFXIV-KRWDZBQOSA-N 1 0 322.453 0.741 50 0 DCAARO CC[NH+]1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 ZINC000077525671 396225194 /nfs/dbraw/zinc/22/51/94/396225194.db2.gz WVWIFZSOIQYEJV-UHFFFAOYSA-N 1 0 307.442 0.971 50 0 DCAARO O=C(CN1CC[C@]2(C1)OCc1ccccc12)N1CCOCC1 ZINC000186691988 396355402 /nfs/dbraw/zinc/35/54/02/396355402.db2.gz SZQPQRKAAIVLNE-QGZVFWFLSA-N 1 0 302.374 0.977 50 0 DCAARO NC(=O)c1noc(CNC2CC[NH+](Cc3ccco3)CC2)n1 ZINC000584889589 396632882 /nfs/dbraw/zinc/63/28/82/396632882.db2.gz UBRAIAACSGEXBE-UHFFFAOYSA-N 1 0 305.338 0.516 50 0 DCAARO CCS(=O)(=O)NC[C@H](C)[NH2+]CCn1nc(C)c(C)c1C ZINC000584887632 396633517 /nfs/dbraw/zinc/63/35/17/396633517.db2.gz YCVWVAPUVBAUGC-JTQLQIEISA-N 1 0 302.444 0.726 50 0 DCAARO CC(C)OC(=O)N1CCC([NH2+]CCC2N=NC(=O)N2C)CC1 ZINC000584891729 396633945 /nfs/dbraw/zinc/63/39/45/396633945.db2.gz BJZWMKZNZJHLKH-UHFFFAOYSA-N 1 0 311.386 0.662 50 0 DCAARO Cc1cc(C[NH2+][C@@H]2CCC(=O)N(CC(=O)N(C)C)CC2)ccn1 ZINC000584896711 396635591 /nfs/dbraw/zinc/63/55/91/396635591.db2.gz VQWLTVMDJIPXSQ-OAHLLOKOSA-N 1 0 318.421 0.949 50 0 DCAARO O=C([C@@H]1CCC[NH2+]C1)N1CCCN(C(=O)C(F)(F)F)CC1 ZINC000584899903 396636277 /nfs/dbraw/zinc/63/62/77/396636277.db2.gz AMUQUKLCJGYXLI-SNVBAGLBSA-N 1 0 307.316 0.609 50 0 DCAARO O=C(c1c[nH]c(=O)cn1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000584903226 396636982 /nfs/dbraw/zinc/63/69/82/396636982.db2.gz PQAKXSBDFVXFQD-ZDUSSCGKSA-N 1 0 320.393 0.487 50 0 DCAARO COc1cccc2ncn(C[C@H]3COCC[N@H+](C)C3)c(=O)c21 ZINC000584903493 396637000 /nfs/dbraw/zinc/63/70/00/396637000.db2.gz PLAXBDRZQBSKOO-LBPRGKRZSA-N 1 0 303.362 0.983 50 0 DCAARO O=C([C@@H]1CCCO1)N1CCCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390833372 397302780 /nfs/dbraw/zinc/30/27/80/397302780.db2.gz GQXFHDKWIPVCIE-XGUBFFRZSA-N 1 0 321.421 0.224 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000606441830 397681199 /nfs/dbraw/zinc/68/11/99/397681199.db2.gz HQIINARQWRSKKG-XURPKSDJSA-N 1 0 323.418 0.558 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH2+]C)C2)c(C)o1 ZINC000133853618 196340768 /nfs/dbraw/zinc/34/07/68/196340768.db2.gz VCPAATOEGLTALB-SNVBAGLBSA-N 1 0 315.395 0.320 50 0 DCAARO CS(=O)(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000045065535 415243877 /nfs/dbraw/zinc/24/38/77/415243877.db2.gz AKKQRCUDLKAXMH-ZDUSSCGKSA-N 1 0 315.439 0.153 50 0 DCAARO C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000048272799 415288461 /nfs/dbraw/zinc/28/84/61/415288461.db2.gz FVALRCGTESVBJH-LLVKDONJSA-N 1 0 320.459 0.050 50 0 DCAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)C[C@H]1NC(=O)NC1=O ZINC000067489478 415381038 /nfs/dbraw/zinc/38/10/38/415381038.db2.gz MFZCDIPRVWUTFR-LLVKDONJSA-N 1 0 310.398 0.355 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(N)nc1 ZINC000067851708 415390454 /nfs/dbraw/zinc/39/04/54/415390454.db2.gz FBWQSWILLMHYJU-NEPJUHHUSA-N 1 0 305.382 0.074 50 0 DCAARO Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(=O)[nH]1 ZINC000075119341 415438299 /nfs/dbraw/zinc/43/82/99/415438299.db2.gz KXAINZUIGLLSBS-CHWSQXEVSA-N 1 0 307.394 0.912 50 0 DCAARO CCCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000095349104 415547488 /nfs/dbraw/zinc/54/74/88/415547488.db2.gz FGLGUUATXKMAQA-UHFFFAOYSA-N 1 0 317.411 0.602 50 0 DCAARO O=C1NCCN1CC[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000095370646 415552994 /nfs/dbraw/zinc/55/29/94/415552994.db2.gz PQUHAIKPGYEAOT-UHFFFAOYSA-N 1 0 304.325 0.782 50 0 DCAARO Cc1cccnc1[C@H]([NH2+]CC(=O)N1CCNC(=O)C1)C(C)C ZINC000096424399 415574510 /nfs/dbraw/zinc/57/45/10/415574510.db2.gz WUWGMVRAEVIIKT-OAHLLOKOSA-N 1 0 304.394 0.635 50 0 DCAARO Cc1cc(NC(=O)CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n(C)n1 ZINC000106868086 415650588 /nfs/dbraw/zinc/65/05/88/415650588.db2.gz CRUPMFZLSFREGK-STQMWFEESA-N 1 0 309.414 0.054 50 0 DCAARO CC[NH+]1CCN(CCCNC(=O)c2cc3ncccn3n2)CC1 ZINC000097137751 415587222 /nfs/dbraw/zinc/58/72/22/415587222.db2.gz PFQRMPFKXMGBPO-UHFFFAOYSA-N 1 0 316.409 0.487 50 0 DCAARO CC[C@@H]1CN(c2ncnc3c2cnn3C)CC[N@@H+]1C[C@H](C)O ZINC000107136548 415659432 /nfs/dbraw/zinc/65/94/32/415659432.db2.gz SXKBSXRTYFNBTA-NWDGAFQWSA-N 1 0 304.398 0.645 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)c2nncn2C)C1 ZINC000107574753 415668555 /nfs/dbraw/zinc/66/85/55/415668555.db2.gz HTUXAQYNYFABCB-OLZOCXBDSA-N 1 0 324.429 0.532 50 0 DCAARO Cc1ccccc1[C@H]1CN(C(=O)CNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000124968732 415856607 /nfs/dbraw/zinc/85/66/07/415856607.db2.gz DRNYFKCQXZERCU-GXTWGEPZSA-N 1 0 305.378 0.358 50 0 DCAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000178983940 416178826 /nfs/dbraw/zinc/17/88/26/416178826.db2.gz QVADDCFQKVSUCF-SNVBAGLBSA-N 1 0 320.784 0.997 50 0 DCAARO CCCc1cc(C(=O)NCCCN2CC[NH+](C)CC2)n(C)n1 ZINC000216171411 416327359 /nfs/dbraw/zinc/32/73/59/416327359.db2.gz PZUPZLKDPPGLLX-UHFFFAOYSA-N 1 0 307.442 0.740 50 0 DCAARO COc1ccccc1OCCCN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000216120241 416327516 /nfs/dbraw/zinc/32/75/16/416327516.db2.gz FDNFYHQUCIZOEN-OAHLLOKOSA-N 1 0 308.378 0.911 50 0 DCAARO C[C@@H](Cc1cnccn1)[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000243901454 416330474 /nfs/dbraw/zinc/33/04/74/416330474.db2.gz BBORHXVQRNHZHW-LBPRGKRZSA-N 1 0 300.428 0.621 50 0 DCAARO COCCc1noc([C@H]2CCC[N@H+](CCn3cc[nH]c3=O)C2)n1 ZINC000244735058 416331010 /nfs/dbraw/zinc/33/10/10/416331010.db2.gz NSLDXTHCOGDLNQ-LBPRGKRZSA-N 1 0 321.381 0.628 50 0 DCAARO CCc1nccn(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)c1=O ZINC000244773843 416331177 /nfs/dbraw/zinc/33/11/77/416331177.db2.gz PHSHORBSSMIKBG-XYPYZODXSA-N 1 0 314.393 0.985 50 0 DCAARO Cc1[nH+]c(N(C)C)nc(N[C@H]2COC[C@@H]2N2CCOCC2)c1C ZINC000534590783 416507745 /nfs/dbraw/zinc/50/77/45/416507745.db2.gz VEJKYNCWAGDBEK-KBPBESRZSA-N 1 0 321.425 0.671 50 0 DCAARO Nc1ncc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000584888153 416515683 /nfs/dbraw/zinc/51/56/83/416515683.db2.gz VXNJVKLCCLWANN-UHFFFAOYSA-N 1 0 310.423 1.099 50 0 DCAARO C[C@@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)C[C@H](C)[NH2+]1 ZINC000299738993 229372336 /nfs/dbraw/zinc/37/23/36/229372336.db2.gz JILVLAXRUWFQJQ-TXEJJXNPSA-N 1 0 300.366 0.544 50 0 DCAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1COCCN1 ZINC000299740035 229375094 /nfs/dbraw/zinc/37/50/94/229375094.db2.gz USWUPZUALQYEOI-VNQPRFMTSA-N 1 0 318.421 0.397 50 0 DCAARO C[C@@H]1CN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)CC[NH2+]1 ZINC000493484234 272192157 /nfs/dbraw/zinc/19/21/57/272192157.db2.gz LBGYLQAYXFRNPW-DJFZKKHWSA-N 1 0 303.362 0.384 50 0 DCAARO Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(NC(N)=[NH2+])S2)cc1 ZINC000005429179 274752785 /nfs/dbraw/zinc/75/27/85/274752785.db2.gz MYENVFOVHXHFAQ-SECBINFHSA-N 1 0 305.363 0.805 50 0 DCAARO C[N@@H+]1CCN2C[C@@H](NC(=O)c3nnc4n3CCCCC4)C[C@H]2C1 ZINC000067769959 277115940 /nfs/dbraw/zinc/11/59/40/277115940.db2.gz JLAYBKIPKGIWNF-STQMWFEESA-N 1 0 318.425 0.123 50 0 DCAARO Cc1nc(C[C@@H]2CCCN(C(=O)C[NH2+]C[C@H]3CCCO3)C2)no1 ZINC000237771927 279085602 /nfs/dbraw/zinc/08/56/02/279085602.db2.gz CZBJMVPXVSKLKG-UONOGXRCSA-N 1 0 322.409 0.928 50 0 DCAARO CC[C@H]1CN(CCCS(=O)(=O)N(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000072279809 281167701 /nfs/dbraw/zinc/16/77/01/281167701.db2.gz LBKJNKXHPIISDR-KGLIPLIRSA-N 1 0 321.487 0.045 50 0 DCAARO CN(C)C(=O)NCc1cc2n(n1)CCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000082083282 281958432 /nfs/dbraw/zinc/95/84/32/281958432.db2.gz OHDWAPOHDZQIBM-CYBMUJFWSA-N 1 0 320.441 0.470 50 0 DCAARO CN(C)c1nc2c(c(N3CCO[C@H](CC[NH3+])C3)n1)CCCC2 ZINC000534648634 334316856 /nfs/dbraw/zinc/31/68/56/334316856.db2.gz YGXNFQRHHVJBNN-GFCCVEGCSA-N 1 0 305.426 0.975 50 0 DCAARO COC(=O)c1cc(O)cc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2OC)c1 ZINC000534662142 334322234 /nfs/dbraw/zinc/32/22/34/334322234.db2.gz CATLRPGGJWESJG-STQMWFEESA-N 1 0 308.334 0.238 50 0 DCAARO C[C@@H](CN(C)CCO)[NH2+]CCn1ncc2ccccc2c1=O ZINC000534661971 334322428 /nfs/dbraw/zinc/32/24/28/334322428.db2.gz WBDUAHICYXMOMS-ZDUSSCGKSA-N 1 0 304.394 0.299 50 0 DCAARO C[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000158449257 524114705 /nfs/dbraw/zinc/11/47/05/524114705.db2.gz GEFVNIVUBOWWIM-CMPLNLGQSA-N 1 0 314.382 0.938 50 0 DCAARO COc1ccccc1CN1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000237166519 524451963 /nfs/dbraw/zinc/45/19/63/524451963.db2.gz HBZGFROCEDUIGS-CQSZACIVSA-N 1 0 303.406 0.949 50 0 DCAARO C[C@H]1OCCN[C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262078516 525031473 /nfs/dbraw/zinc/03/14/73/525031473.db2.gz CFSUWHLFWWWEHQ-OJLVUWQFSA-N 1 0 303.406 0.564 50 0 DCAARO C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000158449388 525970522 /nfs/dbraw/zinc/97/05/22/525970522.db2.gz GEFVNIVUBOWWIM-ZYHUDNBSSA-N 1 0 314.382 0.938 50 0 DCAARO COC[C@@H](O)C[N@@H+]1CC[C@H](N(C)Cc2nnc(C3CC3)n2C)C1 ZINC000084304125 545699836 /nfs/dbraw/zinc/69/98/36/545699836.db2.gz QGQQKOJFKBLVRD-KBPBESRZSA-N 1 0 323.441 0.206 50 0 DCAARO Cn1c2c(nc1C1CC1)C[N@@H+](CCC(=O)N1CCOCC1)CC2 ZINC000084310847 545700028 /nfs/dbraw/zinc/70/00/28/545700028.db2.gz NHIPAAFFLAISNJ-UHFFFAOYSA-N 1 0 318.421 0.905 50 0 DCAARO Nc1n[nH]c(CCNC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000218787106 545940338 /nfs/dbraw/zinc/94/03/38/545940338.db2.gz IUKBQMQBFOLVNZ-CYBMUJFWSA-N 1 0 314.393 0.535 50 0 DCAARO Cn1nc2c(c1C(=O)NCC[N@@H+]1CCCC[C@@H]1CO)CCCC2 ZINC000670438032 547090919 /nfs/dbraw/zinc/09/09/19/547090919.db2.gz IVZWDXLFLYFFAW-CYBMUJFWSA-N 1 0 320.437 0.876 50 0 DCAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CCC3(CCC(=O)N3)CC2)C1 ZINC000670458646 547097562 /nfs/dbraw/zinc/09/75/62/547097562.db2.gz YEGLFGCBCLBLSE-AWEZNQCLSA-N 1 0 323.437 0.757 50 0 DCAARO CN(C)C(=O)c1ccc(NCC[N@@H+]2CCC[C@@H](CO)C2)nc1 ZINC000670462566 547099033 /nfs/dbraw/zinc/09/90/33/547099033.db2.gz RDTMNSASKLWRHW-CYBMUJFWSA-N 1 0 306.410 0.900 50 0 DCAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCc1nc(-c2cccnc2)no1 ZINC000670469129 547100845 /nfs/dbraw/zinc/10/08/45/547100845.db2.gz URTJSDKGKHIYKS-NSHDSACASA-N 1 0 313.321 0.041 50 0 DCAARO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1cnn(Cc2ccccc2)c1 ZINC000170051417 563903263 /nfs/dbraw/zinc/90/32/63/563903263.db2.gz RPPCHEJYIANBDN-CABCVRRESA-N 1 0 300.362 0.648 50 0 DCAARO C[C@H](CCC(=O)N1CCN(c2nc[nH]n2)CC1)[NH+]1CCCC1 ZINC000426509616 661606534 /nfs/dbraw/zinc/60/65/34/661606534.db2.gz YWMQOGPNMSQXHM-CYBMUJFWSA-N 1 0 306.414 0.718 50 0 DCAARO COC[C@]1(C(=O)N2CCN(Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000261870651 661769418 /nfs/dbraw/zinc/76/94/18/661769418.db2.gz LFNWHKMCEGDWCT-KRWDZBQOSA-N 1 0 318.421 0.352 50 0 DCAARO CC1=C(C(=O)N2CCCC[C@@H]2CN2CCOCC2)OCCO1 ZINC000952982422 665842287 /nfs/dbraw/zinc/84/22/87/665842287.db2.gz LTFSGAXXAXXHAU-CQSZACIVSA-N 1 0 310.394 0.978 50 0 DCAARO Cn1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)cc1=O ZINC000072476984 666314654 /nfs/dbraw/zinc/31/46/54/666314654.db2.gz CTFIFUQTVNUCRH-HNNXBMFYSA-N 1 0 319.405 0.447 50 0 DCAARO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000102768387 669278644 /nfs/dbraw/zinc/27/86/44/669278644.db2.gz ZSXCHRFLCYBBAP-ZDUSSCGKSA-N 1 0 311.426 0.520 50 0 DCAARO O=C(NCCn1ccnn1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000952963856 685598000 /nfs/dbraw/zinc/59/80/00/685598000.db2.gz ADVFCXRBANNARR-CYBMUJFWSA-N 1 0 303.366 0.900 50 0 DCAARO CC(C)(C[NH2+]CCN1CCCC[C@@H]1CO)CN1CCOCC1 ZINC000952970265 685599071 /nfs/dbraw/zinc/59/90/71/685599071.db2.gz KCBPOURUMWTIAJ-MRXNPFEDSA-N 1 0 313.486 0.781 50 0 DCAARO COCC[NH+]1CCC(CN(C)S(=O)(=O)c2cn[nH]c2)CC1 ZINC000952970825 685600198 /nfs/dbraw/zinc/60/01/98/685600198.db2.gz DPVREWYFSPDDSP-UHFFFAOYSA-N 1 0 316.427 0.389 50 0 DCAARO CCc1csc(CNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952974314 685600305 /nfs/dbraw/zinc/60/03/05/685600305.db2.gz ALNDBCUNHKTXNM-JTQLQIEISA-N 1 0 310.423 0.519 50 0 DCAARO CC(C)[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccccc3)CN2C1=O ZINC000014733087 685049228 /nfs/dbraw/zinc/04/92/28/685049228.db2.gz RSGYQVQVVOYCSL-SOUVJXGZSA-N 1 0 301.390 0.900 50 0 DCAARO CCn1ccnc1Cn1ncc(N2CCC(C[NH3+])CC2)cc1=O ZINC000020586619 685051603 /nfs/dbraw/zinc/05/16/03/685051603.db2.gz BQKIDJWDBAXDDA-UHFFFAOYSA-N 1 0 316.409 0.683 50 0 DCAARO Cn1cc(-c2ccnc(NCC[N@@H+]3CCC[C@@H](CO)C3)n2)cn1 ZINC000063844455 685062845 /nfs/dbraw/zinc/06/28/45/685062845.db2.gz MMVCITYNAHBBPD-CYBMUJFWSA-N 1 0 316.409 0.993 50 0 DCAARO O=S(=O)(c1ccc(Cl)s1)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772701981 1157841786 /nfs/dbraw/zinc/84/17/86/1157841786.db2.gz CRSQVKRSLKHZBQ-KCJUWKMLSA-N 1 0 322.839 0.604 50 0 DCAARO COc1cccc(OC)c1OCCN1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772705291 1157845580 /nfs/dbraw/zinc/84/55/80/1157845580.db2.gz RSZWQGSDPMHVMU-DYVFJYSZSA-N 1 0 322.405 0.596 50 0 DCAARO COc1cccc(S(=O)(=O)N(CC[NH3+])C2CCOCC2)c1 ZINC000675018763 748027481 /nfs/dbraw/zinc/02/74/81/748027481.db2.gz COYWKEIIJBJRGI-UHFFFAOYSA-N 1 0 314.407 0.824 50 0 DCAARO CC1(C)CC(N[C@H]2COC[C@@H]2N2CCOCC2)CC(C)(C)[NH2+]1 ZINC000822293564 758190192 /nfs/dbraw/zinc/19/01/92/758190192.db2.gz IKMLBCKYWYVGTH-GJZGRUSLSA-N 1 0 311.470 0.985 50 0 DCAARO O=C(C[NH+]1CCCC1)N1CCC[C@@H](CNC(=O)c2ccon2)C1 ZINC000827928177 758902181 /nfs/dbraw/zinc/90/21/81/758902181.db2.gz CADSFQAMHGQHCQ-ZDUSSCGKSA-N 1 0 320.393 0.739 50 0 DCAARO O=C(NCCCn1cc(Cl)cn1)NC[C@]1(O)CCC[NH2+]C1 ZINC000828022235 758917148 /nfs/dbraw/zinc/91/71/48/758917148.db2.gz TWHFFYRSNNZWHU-ZDUSSCGKSA-N 1 0 315.805 0.340 50 0 DCAARO O=S1(=O)CCC(N2CCC([NH2+][C@H]3CCOC3)CC2)CC1 ZINC000828395448 759001961 /nfs/dbraw/zinc/00/19/61/759001961.db2.gz CUALZQOJMSNIDE-ZDUSSCGKSA-N 1 0 302.440 0.407 50 0 DCAARO Nc1nc2nc[nH]c2c(NCCC[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000828711215 759074098 /nfs/dbraw/zinc/07/40/98/759074098.db2.gz RMQWJMDMLFIABE-SNVBAGLBSA-N 1 0 305.386 0.393 50 0 DCAARO C[C@](O)(C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1)C(F)(F)F ZINC000952877368 768941984 /nfs/dbraw/zinc/94/19/84/768941984.db2.gz OZAUOBKIZXCOFS-PWSUYJOCSA-N 1 0 309.332 0.196 50 0 DCAARO C[C@@H]1CN(C(=O)C[NH+]2CCC3(CCC(=O)N3C)CC2)C[C@H](C)O1 ZINC001506399243 1017252139 /nfs/dbraw/zinc/25/21/39/1017252139.db2.gz CLZKSFDHVOCHOG-OKILXGFUSA-N 1 0 323.437 0.709 50 0 DCAARO O=C(CCN1CCCCCC1=O)N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001506409508 1017257642 /nfs/dbraw/zinc/25/76/42/1017257642.db2.gz RGXLSYUNJMHBLH-AWEZNQCLSA-N 1 0 323.437 0.806 50 0 DCAARO COc1cccn(CC(=O)N2CCC3(C2)CC[NH2+]CC3)c1=O ZINC000095523108 185377823 /nfs/dbraw/zinc/37/78/23/185377823.db2.gz ASNFSNYAFGULHG-UHFFFAOYSA-N 1 0 305.378 0.459 50 0 DCAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCOC[C@@H](O)C3)CC2)n1 ZINC000095525551 185378185 /nfs/dbraw/zinc/37/81/85/185378185.db2.gz GAMVNCLOXRUJMV-HNNXBMFYSA-N 1 0 306.410 0.755 50 0 DCAARO C[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(O)ccc3F)C2)CC1 ZINC000299782651 282962629 /nfs/dbraw/zinc/96/26/29/282962629.db2.gz VYRXOYYKQGTSIM-GFCCVEGCSA-N 1 0 307.369 0.993 50 0 DCAARO O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058196432 303980532 /nfs/dbraw/zinc/98/05/32/303980532.db2.gz UZFSGJNQBIHLLX-QWHCGFSZSA-N 1 0 315.439 0.443 50 0 DCAARO Cc1ccc2[nH]c(CNC(=O)[C@H](C)NC3=[NH+]CCN3)nc2c1C ZINC000071681310 191007388 /nfs/dbraw/zinc/00/73/88/191007388.db2.gz QIYUPPVRRTZQQM-NSHDSACASA-N 1 0 314.393 0.733 50 0 DCAARO CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000072127493 191042814 /nfs/dbraw/zinc/04/28/14/191042814.db2.gz MQNXKVMUOYCAFV-GFCCVEGCSA-N 1 0 310.398 0.995 50 0 DCAARO COc1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(OC)n1 ZINC000072145636 191051224 /nfs/dbraw/zinc/05/12/24/191051224.db2.gz MGUHCTQTXDTDSC-INIZCTEOSA-N 1 0 323.393 0.628 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCC(OCc2cccnc2)CC1 ZINC000072149270 191054148 /nfs/dbraw/zinc/05/41/48/191054148.db2.gz WSVAWFQOVALYEM-OAHLLOKOSA-N 1 0 319.405 0.968 50 0 DCAARO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ncc[nH]1 ZINC000072158298 191061083 /nfs/dbraw/zinc/06/10/83/191061083.db2.gz UTCSYZOBWPXFDD-GFCCVEGCSA-N 1 0 307.398 0.215 50 0 DCAARO CN(Cc1cc2n(n1)CC[NH2+]C2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000072162651 191064058 /nfs/dbraw/zinc/06/40/58/191064058.db2.gz XTPLFHGRTGIRGP-UHFFFAOYSA-N 1 0 324.388 0.855 50 0 DCAARO CCc1c(C)cc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c(=O)n1C ZINC000072174499 191070907 /nfs/dbraw/zinc/07/09/07/191070907.db2.gz CAFWRTBSEZBFSK-QGZVFWFLSA-N 1 0 321.421 0.395 50 0 DCAARO COc1cccc(CNC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000072267639 191091087 /nfs/dbraw/zinc/09/10/87/191091087.db2.gz NNQDGYICLNKPBT-MRXNPFEDSA-N 1 0 321.421 0.574 50 0 DCAARO CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000072319280 191121134 /nfs/dbraw/zinc/12/11/34/191121134.db2.gz NBLFXQPBUVNTGB-IUODEOHRSA-N 1 0 308.378 0.775 50 0 DCAARO O=C1CC[C@H]2C[N@@H+](Cc3cnc[nH]3)CC[C@H]2N1CCCCO ZINC000072406752 191152658 /nfs/dbraw/zinc/15/26/58/191152658.db2.gz OGEFMIHLVMAODJ-DZGCQCFKSA-N 1 0 306.410 0.995 50 0 DCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3ccnc(N)n3)CC[C@H]21 ZINC000072409493 191154456 /nfs/dbraw/zinc/15/44/56/191154456.db2.gz CXHSWNHPTXYIHJ-NWDGAFQWSA-N 1 0 304.398 0.096 50 0 DCAARO Cc1ncc2c(c1CNC(=O)CN1CCOC1=O)CC[NH2+]C2 ZINC000072423475 191158037 /nfs/dbraw/zinc/15/80/37/191158037.db2.gz STXGQVPXGFTHMR-UHFFFAOYSA-N 1 0 304.350 0.104 50 0 DCAARO Cn1ccc(CC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c1 ZINC000072432140 191163958 /nfs/dbraw/zinc/16/39/58/191163958.db2.gz TVMJTVVFDMGKBU-LSDHHAIUSA-N 1 0 318.421 0.366 50 0 DCAARO c1cn(CCSc2c[nH]nn2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072479336 191179908 /nfs/dbraw/zinc/17/99/08/191179908.db2.gz XFMVHCGSNJHXAD-UHFFFAOYSA-N 1 0 316.394 0.760 50 0 DCAARO C[C@@H]1Cc2cc(CNC(=O)c3cn(CC[NH3+])nn3)ccc2O1 ZINC000077354239 191698180 /nfs/dbraw/zinc/69/81/80/191698180.db2.gz SMIVJKBVMQOTBF-SNVBAGLBSA-N 1 0 301.350 0.490 50 0 DCAARO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2O)sc2[nH]c(C)nc(=O)c12 ZINC000077422707 191712737 /nfs/dbraw/zinc/71/27/37/191712737.db2.gz YGCDHZDMEWAVCP-RKDXNWHRSA-N 1 0 322.390 0.054 50 0 DCAARO CCS(=O)(=O)CCNC(=O)c1cc(F)ccc1OCC[NH3+] ZINC000426656972 240353036 /nfs/dbraw/zinc/35/30/36/240353036.db2.gz PXXIKIISRRJTNQ-UHFFFAOYSA-N 1 0 318.370 0.328 50 0 DCAARO Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)C2)cc1 ZINC000237626609 202309694 /nfs/dbraw/zinc/30/96/94/202309694.db2.gz HPMFPUKJICAGTG-IMJJTQAJSA-N 1 0 303.406 0.803 50 0 DCAARO Cc1cc(C)c2c(OCC(=O)N3CC[NH2+][C@@H](C)C3)nn(C)c2n1 ZINC000237739627 202342778 /nfs/dbraw/zinc/34/27/78/202342778.db2.gz KGUGOUJIFQSUAB-LBPRGKRZSA-N 1 0 317.393 0.784 50 0 DCAARO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238013302 202420090 /nfs/dbraw/zinc/42/00/90/202420090.db2.gz AQIDCCPOESLJME-FOGDFJRCSA-N 1 0 310.785 0.153 50 0 DCAARO CNC(=O)CCC[N@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000154799129 291215606 /nfs/dbraw/zinc/21/56/06/291215606.db2.gz SHQWNYQUIFFMDU-ZDUSSCGKSA-N 1 0 307.398 0.374 50 0 DCAARO COCc1nc(NCCCn2cncn2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000243885914 202477777 /nfs/dbraw/zinc/47/77/77/202477777.db2.gz ADXSIFULKWANHQ-TXEJJXNPSA-N 1 0 317.397 0.921 50 0 DCAARO Cc1cc(C)nc(CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000091626155 193081387 /nfs/dbraw/zinc/08/13/87/193081387.db2.gz IVMURAVJQYCWKD-UHFFFAOYSA-N 1 0 318.421 0.854 50 0 DCAARO CCC[C@H]1CN(C(=O)c2cnc(N3CCOCC3)nc2)C[C@@H]1[NH3+] ZINC000091625726 193081928 /nfs/dbraw/zinc/08/19/28/193081928.db2.gz LINPXBFRAOLKFN-JSGCOSHPSA-N 1 0 319.409 0.513 50 0 DCAARO CN(C)CC[N@H+](C)C[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1CO ZINC000091974291 193135166 /nfs/dbraw/zinc/13/51/66/193135166.db2.gz QLDOGIGZSSYWRJ-IAGOWNOFSA-N 1 0 319.449 0.861 50 0 DCAARO C[C@H](CC(=O)N1CCOCC1)[NH2+]CCc1nnc2ccccn21 ZINC000014185211 181934551 /nfs/dbraw/zinc/93/45/51/181934551.db2.gz MEYIEOQXDDGRLJ-CYBMUJFWSA-N 1 0 317.393 0.499 50 0 DCAARO CN(Cc1nncn1C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000288398047 220132311 /nfs/dbraw/zinc/13/23/11/220132311.db2.gz OYQOIQLMAMGVAM-AWEZNQCLSA-N 1 0 301.394 0.946 50 0 DCAARO O=C1NC(=O)[C@]2(N1)C1CN3CC2(c2ccccc2)C[N@H+](C1)CC3 ZINC000019866129 182158569 /nfs/dbraw/zinc/15/85/69/182158569.db2.gz NDEYEWNCRURSJL-QWFMPGPPSA-N 1 0 312.373 0.604 50 0 DCAARO CCS(=O)(=O)N1CCC([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000021509371 182276448 /nfs/dbraw/zinc/27/64/48/182276448.db2.gz OCNKMPHFAKIMRR-UHFFFAOYSA-N 1 0 314.455 0.941 50 0 DCAARO CCNC(=O)C(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766339 182333112 /nfs/dbraw/zinc/33/31/12/182333112.db2.gz YTDVZTILZMRZSS-ZDUSSCGKSA-N 1 0 324.450 0.289 50 0 DCAARO C[NH+](C)C(C)(C)CNC(=O)Cn1ncc(=O)c2ccccc21 ZINC000040467619 183073235 /nfs/dbraw/zinc/07/32/35/183073235.db2.gz UULYODUVGDHJJS-UHFFFAOYSA-N 1 0 302.378 0.853 50 0 DCAARO O=C(Cn1cnnn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000061476522 184171419 /nfs/dbraw/zinc/17/14/19/184171419.db2.gz DREXWKXGINCHCB-UHFFFAOYSA-N 1 0 300.366 0.454 50 0 DCAARO COc1ccc(Cn2c(CN3CC[NH+](C)CC3)n[nH]c2=O)cc1 ZINC000065493287 184354314 /nfs/dbraw/zinc/35/43/14/184354314.db2.gz KLFCHMCQXCVQFX-UHFFFAOYSA-N 1 0 317.393 0.376 50 0 DCAARO CN1C[C@@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1=O ZINC000065552663 184365163 /nfs/dbraw/zinc/36/51/63/184365163.db2.gz GCZNQIRODKTPMO-AWEZNQCLSA-N 1 0 319.405 0.722 50 0 DCAARO COc1ccc(CCC(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000065520557 184358978 /nfs/dbraw/zinc/35/89/78/184358978.db2.gz CKWAQTTYESDPNJ-UHFFFAOYSA-N 1 0 305.422 0.991 50 0 DCAARO Cn1ccnc1[C@@H](O)C1CC[NH+](CCCn2cnnn2)CC1 ZINC000252481482 257274744 /nfs/dbraw/zinc/27/47/44/257274744.db2.gz CMXILVSUVVHYQR-ZDUSSCGKSA-N 1 0 305.386 0.242 50 0 DCAARO Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])nc1Cl ZINC000237804968 257238163 /nfs/dbraw/zinc/23/81/63/257238163.db2.gz IQMDOPBUICHKAN-BDAKNGLRSA-N 1 0 306.819 0.869 50 0 DCAARO Nc1cncc(-c2ccc(C(=O)NC[C@@]3(O)CC[NH2+]C3)cc2)c1 ZINC000426711509 257243757 /nfs/dbraw/zinc/24/37/57/257243757.db2.gz UVLQIYOBFSCFPH-QGZVFWFLSA-N 1 0 312.373 0.785 50 0 DCAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CC(O)C1 ZINC000426641295 257245064 /nfs/dbraw/zinc/24/50/64/257245064.db2.gz AHTFEZIPPZXMCJ-UHFFFAOYSA-N 1 0 318.421 0.190 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000426531065 257247398 /nfs/dbraw/zinc/24/73/98/257247398.db2.gz WBQBBLZPVAUIJU-LBPRGKRZSA-N 1 0 319.365 0.070 50 0 DCAARO NC(=O)C1(NC(=O)c2cc(F)ccc2OCC[NH3+])CCCC1 ZINC000426412786 257251011 /nfs/dbraw/zinc/25/10/11/257251011.db2.gz NHISAIPWVLQCQC-UHFFFAOYSA-N 1 0 309.341 0.691 50 0 DCAARO C[C@H](c1ccccc1)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000252008443 257259101 /nfs/dbraw/zinc/25/91/01/257259101.db2.gz QJXCRKWVKDHAMG-OCCSQVGLSA-N 1 0 310.419 0.983 50 0 DCAARO COCC[NH+]1CCC(NC(=O)NCc2cc(C)nn2C)CC1 ZINC000285545445 131179809 /nfs/dbraw/zinc/17/98/09/131179809.db2.gz UUYGQJPHYQHVBI-UHFFFAOYSA-N 1 0 309.414 0.639 50 0 DCAARO Cc1nnc(=O)[nH]c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000011903636 395686969 /nfs/dbraw/zinc/68/69/69/395686969.db2.gz FPRIQZKULMAVJD-UHFFFAOYSA-N 1 0 300.366 0.969 50 0 DCAARO O=C(CN1CC[NH+](C[C@H](O)C2CC2)CC1)NCc1ccccc1 ZINC000085436833 395700520 /nfs/dbraw/zinc/70/05/20/395700520.db2.gz JCELQGMZLRDHGR-KRWDZBQOSA-N 1 0 317.433 0.691 50 0 DCAARO C[N@H+](CCO)C[C@H]1COCCN1C(=O)COc1ccccc1 ZINC000085469921 395700884 /nfs/dbraw/zinc/70/08/84/395700884.db2.gz LRWKUFXXAZKWMX-AWEZNQCLSA-N 1 0 308.378 0.217 50 0 DCAARO COc1cccc(OCC(=O)N2CCOC[C@@H]2C[NH+](C)C)c1 ZINC000085469947 395701038 /nfs/dbraw/zinc/70/10/38/395701038.db2.gz MMQKRHHEYUYWCP-ZDUSSCGKSA-N 1 0 308.378 0.863 50 0 DCAARO COCC(=O)N1CCN(c2cc(-n3cccc3)nc(C)[nH+]2)CC1 ZINC000085557436 395701337 /nfs/dbraw/zinc/70/13/37/395701337.db2.gz SWNYYOUPHXRUGO-UHFFFAOYSA-N 1 0 315.377 0.871 50 0 DCAARO CN1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)C1=O ZINC000089374997 395710295 /nfs/dbraw/zinc/71/02/95/395710295.db2.gz NYPFKHMKVRAUHF-CYBMUJFWSA-N 1 0 308.382 0.584 50 0 DCAARO Nc1nccnc1C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000089433061 395711715 /nfs/dbraw/zinc/71/17/15/395711715.db2.gz WNMISUYCYZQXNG-UHFFFAOYSA-N 1 0 315.381 0.994 50 0 DCAARO CC[NH+]1CCN(CCCNS(=O)(=O)N2CCCCC2)CC1 ZINC000032916512 395714789 /nfs/dbraw/zinc/71/47/89/395714789.db2.gz PDHCBKNNHIHKBL-UHFFFAOYSA-N 1 0 318.487 0.334 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)CCc2cnn(C)c2)CC1 ZINC000089755616 395714880 /nfs/dbraw/zinc/71/48/80/395714880.db2.gz DNMBJWOUYSQTJK-UHFFFAOYSA-N 1 0 308.426 0.827 50 0 DCAARO CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(OC)c1 ZINC000035421786 395720728 /nfs/dbraw/zinc/72/07/28/395720728.db2.gz PIEYDBHLEHQFIP-UHFFFAOYSA-N 1 0 319.405 0.979 50 0 DCAARO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1cnc2ccccc2c1 ZINC000037020280 395725558 /nfs/dbraw/zinc/72/55/58/395725558.db2.gz TXYAXMKAQVCMKY-LBPRGKRZSA-N 1 0 307.375 0.935 50 0 DCAARO CCN1C(=O)N[C@@](C)([C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)C1=O ZINC000095402595 395740351 /nfs/dbraw/zinc/74/03/51/395740351.db2.gz JYWZEECPYZPRSG-BZNIZROVSA-N 1 0 322.409 0.307 50 0 DCAARO Cc1cc(N2CCC(C(=O)N3CCOCC3)CC2)nc(N)[nH+]1 ZINC000043532954 395753615 /nfs/dbraw/zinc/75/36/15/395753615.db2.gz QFPCKNLEJODGTK-UHFFFAOYSA-N 1 0 305.382 0.442 50 0 DCAARO C[C@@H]1CC[N@H+](CCCNS(C)(=O)=O)C[C@@H]1n1ccnc1 ZINC000096489090 395754020 /nfs/dbraw/zinc/75/40/20/395754020.db2.gz IHGDPHGCUMHUCB-OLZOCXBDSA-N 1 0 300.428 0.705 50 0 DCAARO CNS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cnn(C)c1 ZINC000097197969 395755679 /nfs/dbraw/zinc/75/56/79/395755679.db2.gz BRCJSEQKYARZCL-UHFFFAOYSA-N 1 0 308.407 0.759 50 0 DCAARO NC(=O)COc1cccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097370369 395757631 /nfs/dbraw/zinc/75/76/31/395757631.db2.gz VQCCUYHEIRCCCP-HNNXBMFYSA-N 1 0 318.421 0.030 50 0 DCAARO CN1CCO[C@H](C[NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000106908574 395784773 /nfs/dbraw/zinc/78/47/73/395784773.db2.gz QUTUCJYCYRROIV-CHWSQXEVSA-N 1 0 300.424 0.546 50 0 DCAARO COCc1cccc(C(=O)N2CC[N@@H+](C(C)C)C[C@H](O)C2)n1 ZINC000097514391 395758634 /nfs/dbraw/zinc/75/86/34/395758634.db2.gz ILKYFIXGSPZQIX-AWEZNQCLSA-N 1 0 307.394 0.755 50 0 DCAARO COCC[N@@H+]1CC[C@H](C(=O)N(C)Cc2cc(COC)n[nH]2)C1 ZINC000097742958 395760264 /nfs/dbraw/zinc/76/02/64/395760264.db2.gz WHYVWUYRZJUNGE-LBPRGKRZSA-N 1 0 310.398 0.483 50 0 DCAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1cc[nH]n1 ZINC000101413848 395764133 /nfs/dbraw/zinc/76/41/33/395764133.db2.gz FMOHRHZYUWIUEQ-VXGBXAGGSA-N 1 0 305.382 0.729 50 0 DCAARO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000046035202 395769683 /nfs/dbraw/zinc/76/96/83/395769683.db2.gz FMCSATAFCSYAIG-MCIONIFRSA-N 1 0 319.471 0.662 50 0 DCAARO C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCOC[C@H]3O)cc2)CC1 ZINC000218952876 395843907 /nfs/dbraw/zinc/84/39/07/395843907.db2.gz YBMOORTZKUAWDI-HZPDHXFCSA-N 1 0 319.405 0.318 50 0 DCAARO CC[NH+]1CCC(N(C)C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)CC1 ZINC000220542052 395848353 /nfs/dbraw/zinc/84/83/53/395848353.db2.gz ASFLHMXBICDDKG-HNNXBMFYSA-N 1 0 321.425 0.400 50 0 DCAARO C[C@H](CCC(=O)N(C)Cc1cnn(C)c1)[NH+]1CCN(C)CC1 ZINC000221441518 395850831 /nfs/dbraw/zinc/85/08/31/395850831.db2.gz SNPLKBPITGJMEM-CQSZACIVSA-N 1 0 307.442 0.795 50 0 DCAARO C[C@H](C(=O)NCC(F)(F)F)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000221940510 395850866 /nfs/dbraw/zinc/85/08/66/395850866.db2.gz CCYVEKVJHLBPKP-NEPJUHHUSA-N 1 0 323.359 0.708 50 0 DCAARO C[NH+]1CCN(c2ccc(C(=O)NCCn3cncn3)cc2)CC1 ZINC000223672276 395855766 /nfs/dbraw/zinc/85/57/66/395855766.db2.gz ZVXZMCMLFXLFMY-UHFFFAOYSA-N 1 0 314.393 0.460 50 0 DCAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000055131904 395912034 /nfs/dbraw/zinc/91/20/34/395912034.db2.gz HBPKDOYZQQEDJF-HNNXBMFYSA-N 1 0 317.389 0.350 50 0 DCAARO CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)NS(C)(=O)=O ZINC000245289730 395927364 /nfs/dbraw/zinc/92/73/64/395927364.db2.gz DSRPMQPXLJPSQS-IJLUTSLNSA-N 1 0 302.440 0.861 50 0 DCAARO Cn1ncc2c1ncnc2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000052326027 395862576 /nfs/dbraw/zinc/86/25/76/395862576.db2.gz AYNJPCPTKMOTSY-UHFFFAOYSA-N 1 0 316.409 0.912 50 0 DCAARO Nc1ncc(Cl)cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246496389 395951606 /nfs/dbraw/zinc/95/16/06/395951606.db2.gz AZJAKNAIVYZLPC-JTQLQIEISA-N 1 0 316.814 0.786 50 0 DCAARO CN1CCO[C@@H](C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000248163495 395983868 /nfs/dbraw/zinc/98/38/68/395983868.db2.gz YTGUSCDNUHBHQF-ZFWWWQNUSA-N 1 0 319.405 0.547 50 0 DCAARO O=C(N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1ccc(O)cn1 ZINC000252527467 396022610 /nfs/dbraw/zinc/02/26/10/396022610.db2.gz CPVHIHLMXPMGMB-UXIGCNINSA-N 1 0 305.378 0.656 50 0 DCAARO CNC(=O)c1nn(CCOc2ccccc2)c2c1C[NH2+]CC2 ZINC000257178965 396034507 /nfs/dbraw/zinc/03/45/07/396034507.db2.gz CFPTYCPXFBYSDR-UHFFFAOYSA-N 1 0 300.362 0.967 50 0 DCAARO Cc1oncc1C(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1CO ZINC000257193351 396035141 /nfs/dbraw/zinc/03/51/41/396035141.db2.gz YCNDIIPHISZIOS-SWLSCSKDSA-N 1 0 316.361 0.601 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc2ccccn2n1 ZINC000067966670 396040783 /nfs/dbraw/zinc/04/07/83/396040783.db2.gz SVMUSXJOXINHCP-MFKMUULPSA-N 1 0 301.350 0.012 50 0 DCAARO CC(C)c1cc(C(=O)N[C@H]2[C@@H]3OCC[C@@H]3[C@@H]2[NH3+])nc2ncnn21 ZINC000252494420 396020655 /nfs/dbraw/zinc/02/06/55/396020655.db2.gz NUVSGMKLRWZWIN-GHORINQJSA-N 1 0 316.365 0.092 50 0 DCAARO CC(C)(O)C[NH+]1CCN(C(=O)Cc2cn3ccsc3n2)CC1 ZINC000069777812 396090270 /nfs/dbraw/zinc/09/02/70/396090270.db2.gz IBUXTQDMPGEZAX-UHFFFAOYSA-N 1 0 322.434 0.853 50 0 DCAARO CN1C(=O)c2cccn2C[C@@H]1CNC(=O)C[NH+]1CCCCCC1 ZINC000169778793 396090685 /nfs/dbraw/zinc/09/06/85/396090685.db2.gz VRDZWYKCERJBBU-AWEZNQCLSA-N 1 0 318.421 0.935 50 0 DCAARO Cc1cc(C[N@H+](C)[C@H]2CCc3nn(C)c(=O)n3CC2)n(C)n1 ZINC000169783351 396091891 /nfs/dbraw/zinc/09/18/91/396091891.db2.gz SCTSHDKGWLNPHF-LBPRGKRZSA-N 1 0 304.398 0.461 50 0 DCAARO COCCC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1C[NH+](C)C ZINC000169790829 396093594 /nfs/dbraw/zinc/09/35/94/396093594.db2.gz NRRSXQZYZIAWEQ-GDBMZVCRSA-N 1 0 320.437 0.596 50 0 DCAARO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)N2CCNC2=O)n1 ZINC000069897957 396093779 /nfs/dbraw/zinc/09/37/79/396093779.db2.gz HGNWVPSYWNOJMS-CQSZACIVSA-N 1 0 319.409 0.906 50 0 DCAARO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H]2Cn2cncn2)C1=O ZINC000069920037 396094307 /nfs/dbraw/zinc/09/43/07/396094307.db2.gz OJXXWZQDMAFYBS-NSHDSACASA-N 1 0 306.370 0.073 50 0 DCAARO Cc1cc(N2CC[NH2+][C@@H](C(=O)[O-])C2)nc(N2CCCCC2)[nH+]1 ZINC000071775727 396114084 /nfs/dbraw/zinc/11/40/84/396114084.db2.gz PURANWIABBBIRF-GFCCVEGCSA-N 1 0 305.382 0.638 50 0 DCAARO O=C(C[C@H]1NC(=O)NC1=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000071837420 396117926 /nfs/dbraw/zinc/11/79/26/396117926.db2.gz MJKLLNYWVYXZKV-CYBMUJFWSA-N 1 0 322.409 0.309 50 0 DCAARO O=C(CC[N@@H+]1CCCC[C@@H]1Cn1cncn1)N1CCOCC1 ZINC000071876371 396121365 /nfs/dbraw/zinc/12/13/65/396121365.db2.gz URSQOAYUJKAUNG-CQSZACIVSA-N 1 0 307.398 0.382 50 0 DCAARO Cc1nc(CN2CCC[N@H+](C[C@H](O)Cn3cccn3)CC2)no1 ZINC000071877591 396121670 /nfs/dbraw/zinc/12/16/70/396121670.db2.gz GCIWCJOLLGIFHA-AWEZNQCLSA-N 1 0 320.397 0.143 50 0 DCAARO Cc1cnn(CC[NH2+]CCNS(=O)(=O)c2ccccc2)c1 ZINC000072253149 396127149 /nfs/dbraw/zinc/12/71/49/396127149.db2.gz XAVLTGDJULGIAU-UHFFFAOYSA-N 1 0 308.407 0.760 50 0 DCAARO O=C(C[NH2+]CCn1cccn1)N1CCN(c2ccccc2)CC1 ZINC000072267791 396128403 /nfs/dbraw/zinc/12/84/03/396128403.db2.gz ZJPKUZRQNRUINH-UHFFFAOYSA-N 1 0 313.405 0.822 50 0 DCAARO O=C1NCCN1C1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000069374034 396076496 /nfs/dbraw/zinc/07/64/96/396076496.db2.gz RFTGXJCBZRCUMA-OAHLLOKOSA-N 1 0 319.405 0.916 50 0 DCAARO O=C1NCCN1C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000069374038 396076794 /nfs/dbraw/zinc/07/67/94/396076794.db2.gz RFTGXJCBZRCUMA-HNNXBMFYSA-N 1 0 319.405 0.916 50 0 DCAARO CNC(=O)COc1ccccc1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000069493535 396080083 /nfs/dbraw/zinc/08/00/83/396080083.db2.gz QRMCVFLNZBZUDV-ZDUSSCGKSA-N 1 0 315.377 0.508 50 0 DCAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000069530673 396081871 /nfs/dbraw/zinc/08/18/71/396081871.db2.gz XIBDXAPXLQHMJH-CYBMUJFWSA-N 1 0 300.366 0.876 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)o2)C[C@@H]1[NH+](C)C ZINC000076051576 396194003 /nfs/dbraw/zinc/19/40/03/396194003.db2.gz CKVKLNVMZDNPPO-JQWIXIFHSA-N 1 0 314.407 0.846 50 0 DCAARO O[C@@]1(C[NH2+]CC2(c3ccccc3)CCOCC2)CNCCOC1 ZINC000077421887 396221858 /nfs/dbraw/zinc/22/18/58/396221858.db2.gz VESYVVXVMPCAKJ-GOSISDBHSA-N 1 0 320.433 0.675 50 0 DCAARO C[N@@H+]1CCOC[C@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC000584885618 396632294 /nfs/dbraw/zinc/63/22/94/396632294.db2.gz MGLXTMHSJLJXJK-SNVBAGLBSA-N 1 0 306.366 0.368 50 0 DCAARO CCc1noc(CCNC(=O)C[C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000584885470 396632371 /nfs/dbraw/zinc/63/23/71/396632371.db2.gz SFGABHYDXQVTKH-GFCCVEGCSA-N 1 0 310.398 0.790 50 0 DCAARO C[C@H](C(=O)NCCc1nc(N)cc(=O)[nH]1)[NH+]1CCCCCC1 ZINC000584893737 396634428 /nfs/dbraw/zinc/63/44/28/396634428.db2.gz ZIPZFWSYKCMBOH-LLVKDONJSA-N 1 0 307.398 0.688 50 0 DCAARO C[N@@H+]1CCOC[C@@H](CNC(=O)c2ccc3[nH]c(CO)nc3c2)C1 ZINC000584903288 396637360 /nfs/dbraw/zinc/63/73/60/396637360.db2.gz OFOIXHBFXRTHGV-NSHDSACASA-N 1 0 318.377 0.363 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3ncc[nH]3)C[C@H]2C)CC1 ZINC000299753981 396713894 /nfs/dbraw/zinc/71/38/94/396713894.db2.gz DNCHFYDQPFATCK-UKRRQHHQSA-N 1 0 305.426 0.784 50 0 DCAARO O=C1C[C@@H]([NH2+][C@H]2CCCOCC2)CN1CCN1CCOCC1 ZINC000329137413 396839970 /nfs/dbraw/zinc/83/99/70/396839970.db2.gz DGZCHSBGMIXNAM-LSDHHAIUSA-N 1 0 311.426 0.078 50 0 DCAARO CCN1C[C@@H](S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)CC1=O ZINC000630094162 396940530 /nfs/dbraw/zinc/94/05/30/396940530.db2.gz XZODPCGVFBBART-RYUDHWBXSA-N 1 0 303.428 0.044 50 0 DCAARO O=C([C@H]1CCCO1)N1CCCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390833370 397302832 /nfs/dbraw/zinc/30/28/32/397302832.db2.gz GQXFHDKWIPVCIE-LJISPDSOSA-N 1 0 321.421 0.224 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000606441209 397681309 /nfs/dbraw/zinc/68/13/09/397681309.db2.gz XMNYBODTCBBYMG-OYVUYXNMSA-N 1 0 323.418 0.558 50 0 DCAARO CCn1cnc2c(c1=O)CCN([C@H]1CCN(C3CC3)C1=O)C2 ZINC000329177902 159070527 /nfs/dbraw/zinc/07/05/27/159070527.db2.gz MDMMJDCDLOTAQN-AWEZNQCLSA-N 1 0 302.378 0.385 50 0 DCAARO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3C(N)=O)C2=O)n(C)n1 ZINC000130899784 196120750 /nfs/dbraw/zinc/12/07/50/196120750.db2.gz QVSQZTHOTZUHHM-XQQFMLRXSA-N 1 0 319.409 0.468 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1 ZINC000134020637 196353936 /nfs/dbraw/zinc/35/39/36/196353936.db2.gz BBFULOIQWWALJB-GFCCVEGCSA-N 1 0 311.407 0.466 50 0 DCAARO C[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC[C@H]1C ZINC000044945968 415235649 /nfs/dbraw/zinc/23/56/49/415235649.db2.gz YGBVPAKDEUUOHY-FRRDWIJNSA-N 1 0 317.455 0.736 50 0 DCAARO CNC(=O)C[N@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000044975300 415237521 /nfs/dbraw/zinc/23/75/21/415237521.db2.gz NASBLJAAECZVIL-CYBMUJFWSA-N 1 0 304.394 0.692 50 0 DCAARO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000332132196 415262018 /nfs/dbraw/zinc/26/20/18/415262018.db2.gz JVBMQRFEQWDQEO-MRXNPFEDSA-N 1 0 324.446 0.910 50 0 DCAARO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000048037741 415282070 /nfs/dbraw/zinc/28/20/70/415282070.db2.gz KMYBPKHNDOFTBA-OCCSQVGLSA-N 1 0 319.405 0.550 50 0 DCAARO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000044869105 415229345 /nfs/dbraw/zinc/22/93/45/415229345.db2.gz VTSPIVOQNFJGBZ-LBPRGKRZSA-N 1 0 319.471 0.505 50 0 DCAARO C[NH2+]CCCNC(=O)C(=O)Nc1c(C)nn(CC(C)C)c1C ZINC000044900620 415231158 /nfs/dbraw/zinc/23/11/58/415231158.db2.gz WOIBWCQFBPVPTB-UHFFFAOYSA-N 1 0 309.414 0.820 50 0 DCAARO CCOCC[N@@H+]1CCN(c2ncnc3c2cnn3C)C[C@@H]1C ZINC000069951397 415404505 /nfs/dbraw/zinc/40/45/05/415404505.db2.gz AEXNMVBHCREYDE-LBPRGKRZSA-N 1 0 304.398 0.910 50 0 DCAARO [NH3+]C1(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)CCC1 ZINC000067786618 415385743 /nfs/dbraw/zinc/38/57/43/415385743.db2.gz JBYYUORAFKEWRC-QWHCGFSZSA-N 1 0 318.373 0.974 50 0 DCAARO CCN1CCO[C@H](C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000075133684 415436020 /nfs/dbraw/zinc/43/60/20/415436020.db2.gz JSMCZLQWOAJVGI-OAHLLOKOSA-N 1 0 305.426 0.887 50 0 DCAARO C[C@@H](C(=O)N1CCCC1)[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075132943 415438635 /nfs/dbraw/zinc/43/86/35/415438635.db2.gz JJUMLBRWFDRNDU-ZDUSSCGKSA-N 1 0 308.426 0.829 50 0 DCAARO C[NH2+][C@@H](CO)C(=O)N1CCC2(CCC(=O)N(C3CCC3)C2)CC1 ZINC000091444587 415534240 /nfs/dbraw/zinc/53/42/40/415534240.db2.gz UNKFFYZEGFDDIS-AWEZNQCLSA-N 1 0 323.437 0.350 50 0 DCAARO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000333370960 415624650 /nfs/dbraw/zinc/62/46/50/415624650.db2.gz MJQYKLKNKYTUDY-ZFWWWQNUSA-N 1 0 322.453 0.187 50 0 DCAARO CC(=O)N(C)CC(=O)Nc1ccc2c(c1)N(C)CC[N@@H+](C)C2 ZINC000097046238 415581336 /nfs/dbraw/zinc/58/13/36/415581336.db2.gz HDXUCUFQTSYTTC-UHFFFAOYSA-N 1 0 304.394 0.985 50 0 DCAARO O=C(CC1Cc2ccccc2C1)N1CC[N@@H+](CCO)C[C@@H](O)C1 ZINC000097117565 415585393 /nfs/dbraw/zinc/58/53/93/415585393.db2.gz XQDGZLFPHQOTKA-QGZVFWFLSA-N 1 0 318.417 0.289 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000107354905 415669421 /nfs/dbraw/zinc/66/94/21/415669421.db2.gz VWIVQZBCUUJMHO-DOMZBBRYSA-N 1 0 321.425 0.753 50 0 DCAARO Cc1ccccc1[C@@H](CC(=O)N1CC[NH2+]C[C@H]1C)NC(N)=O ZINC000125335443 415864383 /nfs/dbraw/zinc/86/43/83/415864383.db2.gz GYOKDGACAWQNIW-TZMCWYRMSA-N 1 0 304.394 0.915 50 0 DCAARO Cc1cc(C)c2c(OCC(=O)N(C)[C@H]3CC[NH2+]C3)nn(C)c2n1 ZINC000299740000 416064131 /nfs/dbraw/zinc/06/41/31/416064131.db2.gz UOWRJGOOKNNCSE-LBPRGKRZSA-N 1 0 317.393 0.784 50 0 DCAARO COc1ccc(OC)c(NC(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)c1 ZINC000299756301 416064279 /nfs/dbraw/zinc/06/42/79/416064279.db2.gz GBBGEFFJWMUKQK-MNOVXSKESA-N 1 0 309.366 0.890 50 0 DCAARO CC(C)n1cnnc1CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000299780301 416067227 /nfs/dbraw/zinc/06/72/27/416067227.db2.gz JFAOAGVMSIQPEJ-ZDUSSCGKSA-N 1 0 309.414 0.486 50 0 DCAARO CCn1cc(NC(=O)NC[C@@H]2CC[N@H+](CCCOC)C2)nn1 ZINC000299775999 416067579 /nfs/dbraw/zinc/06/75/79/416067579.db2.gz MYZTXOLQRSCYDP-LBPRGKRZSA-N 1 0 310.402 0.778 50 0 DCAARO CCc1nnc2ccc(N3CC[N@H+](CCOC)[C@H](C)C3)nn21 ZINC000174734941 416086600 /nfs/dbraw/zinc/08/66/00/416086600.db2.gz SDQSGUSICWPFJU-GFCCVEGCSA-N 1 0 304.398 0.844 50 0 DCAARO CN(CC(=O)N1CCOCC1)[C@@H]1CCc2ccccc2NC1=O ZINC000191914268 416292280 /nfs/dbraw/zinc/29/22/80/416292280.db2.gz FVHUOMDBAGGOOM-OAHLLOKOSA-N 1 0 317.389 0.731 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000247493736 416333051 /nfs/dbraw/zinc/33/30/51/416333051.db2.gz MEYHITQDBLVGPT-XQQFMLRXSA-N 1 0 303.428 0.120 50 0 DCAARO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000253416675 416334761 /nfs/dbraw/zinc/33/47/61/416334761.db2.gz ONQGTGRFGYXFAW-FIXISWKDSA-N 1 0 311.382 0.496 50 0 DCAARO [NH2+]=C1c2c(cc(=O)n3c2N[C@@H]2C=CC=C[C@H]23)CN1Cc1ccco1 ZINC000229479866 416328074 /nfs/dbraw/zinc/32/80/74/416328074.db2.gz QGXREZRGNJJXHS-ZIAGYGMSSA-N 1 0 320.352 0.150 50 0 DCAARO C[C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H]1C[NH3+] ZINC000237443534 416328335 /nfs/dbraw/zinc/32/83/35/416328335.db2.gz OXXHOCLYEQHWPO-NOZJJQNGSA-N 1 0 316.361 0.416 50 0 DCAARO O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238099832 416329830 /nfs/dbraw/zinc/32/98/30/416329830.db2.gz YRDFLRLMRMKANH-AAEUAGOBSA-N 1 0 304.325 0.350 50 0 DCAARO CC(C)N(C)S(=O)(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000241287081 416330089 /nfs/dbraw/zinc/33/00/89/416330089.db2.gz LJSCWPSOGWXFJU-CQSZACIVSA-N 1 0 319.471 0.758 50 0 DCAARO CO[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000240555826 416330154 /nfs/dbraw/zinc/33/01/54/416330154.db2.gz GXMNQKCYNLKYOO-KGLIPLIRSA-N 1 0 309.410 0.176 50 0 DCAARO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1nnnn1C ZINC000242302239 416330467 /nfs/dbraw/zinc/33/04/67/416330467.db2.gz YQRJLMQZHDBULB-LLVKDONJSA-N 1 0 316.369 0.198 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC[C@@H](O)CC1 ZINC000244724740 416330807 /nfs/dbraw/zinc/33/08/07/416330807.db2.gz MZUPPGPUHWFSIH-FQUUOJAGSA-N 1 0 311.426 0.334 50 0 DCAARO C[C@H](C[NH+]1CCOCC1)C(=O)NCCn1cc(Cl)cn1 ZINC000244659846 416330839 /nfs/dbraw/zinc/33/08/39/416330839.db2.gz HJVRCIOZFBPUJL-LLVKDONJSA-N 1 0 300.790 0.621 50 0 DCAARO COc1cncc([C@H](NC(=O)C[NH2+]C2CC2)[C@H]2C[C@H](O)C2)c1 ZINC000244723823 416330922 /nfs/dbraw/zinc/33/09/22/416330922.db2.gz MHYMWEVAPRYOGH-CKUKBARFSA-N 1 0 305.378 0.770 50 0 DCAARO CNC(=O)C[C@H](C)[N@H+](C)Cc1cc(=O)n2cccc(O)c2n1 ZINC000244691838 416330944 /nfs/dbraw/zinc/33/09/44/416330944.db2.gz JJZRDWFGRNPHER-JTQLQIEISA-N 1 0 304.350 0.357 50 0 DCAARO Nc1nc(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)cs1 ZINC000584890851 416515671 /nfs/dbraw/zinc/51/56/71/416515671.db2.gz RKRMNSHROJHNTR-UHFFFAOYSA-N 1 0 310.423 0.788 50 0 DCAARO Nc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 ZINC000584890924 416515953 /nfs/dbraw/zinc/51/59/53/416515953.db2.gz TWYNAIPLHHUCRK-JTQLQIEISA-N 1 0 311.411 0.380 50 0 DCAARO COc1cccc(C(=O)N2CCN(C(=O)[C@@H](C)[NH+](C)C)CC2)c1 ZINC000585131694 416520237 /nfs/dbraw/zinc/52/02/37/416520237.db2.gz DEDJBXDWGNFIOX-CYBMUJFWSA-N 1 0 319.405 0.930 50 0 DCAARO CN(Cc1cnc(N)nc1)C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426582938 416777152 /nfs/dbraw/zinc/77/71/52/416777152.db2.gz ZETQSGCPTQXBBL-UHFFFAOYSA-N 1 0 315.377 0.597 50 0 DCAARO COCC[N@@H+]1CCC[C@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000521332209 417002761 /nfs/dbraw/zinc/00/27/61/417002761.db2.gz NCUBJJDAXZMQAG-JTQLQIEISA-N 1 0 306.370 0.592 50 0 DCAARO CN1CCC[C@@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC000529356783 417448320 /nfs/dbraw/zinc/44/83/20/417448320.db2.gz BNGBGEBIACDXNG-MCIONIFRSA-N 1 0 324.425 0.145 50 0 DCAARO Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659324277 418082153 /nfs/dbraw/zinc/08/21/53/418082153.db2.gz LPOQUQDNWURTNB-ZDUSSCGKSA-N 1 0 322.409 0.917 50 0 DCAARO COCCOc1cccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000655298860 418250202 /nfs/dbraw/zinc/25/02/02/418250202.db2.gz UIGFUJOXINXHIT-LSDHHAIUSA-N 1 0 320.389 0.603 50 0 DCAARO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1=O ZINC000299752434 229394957 /nfs/dbraw/zinc/39/49/57/229394957.db2.gz UDEIRFMPDGCATQ-FWYOQMDTSA-N 1 0 313.401 0.826 50 0 DCAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)c1cncs1 ZINC000299783746 229437016 /nfs/dbraw/zinc/43/70/16/229437016.db2.gz WTUDPBBMHHNQBH-NSHDSACASA-N 1 0 310.423 0.816 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C\c1ccc(OCC(N)=O)cc1 ZINC000493448622 272189501 /nfs/dbraw/zinc/18/95/01/272189501.db2.gz IPMOGJVEAAWWLS-PIZKADEWSA-N 1 0 317.389 0.774 50 0 DCAARO CC1(C)CN(c2ncccn2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091914602 276137337 /nfs/dbraw/zinc/13/73/37/276137337.db2.gz UWDIJFMWTQEDQT-INIZCTEOSA-N 1 0 306.410 0.776 50 0 DCAARO CN(C)S(=O)(=O)CCC[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000091770373 289235315 /nfs/dbraw/zinc/23/53/15/289235315.db2.gz IEZDCNKHBDMQQT-CYBMUJFWSA-N 1 0 320.455 0.274 50 0 DCAARO Cc1ccn(CCC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)n1 ZINC000534636259 334309451 /nfs/dbraw/zinc/30/94/51/334309451.db2.gz RWGRGCWLPCEIDX-GJZGRUSLSA-N 1 0 306.410 0.951 50 0 DCAARO CCn1ncc(C[NH2+][C@H](C)CNS(=O)(=O)C2CC2)c1C ZINC000534649223 334316872 /nfs/dbraw/zinc/31/68/72/334316872.db2.gz XAENYGMLOUQVFJ-SNVBAGLBSA-N 1 0 300.428 0.771 50 0 DCAARO Cc1c(C(=O)N2C[C@@H]3[NH2+]CCO[C@H]3C2)cnn1-c1ccccn1 ZINC000534663943 334323142 /nfs/dbraw/zinc/32/31/42/334323142.db2.gz CYSDOTFELQNZOT-KBPBESRZSA-N 1 0 313.361 0.389 50 0 DCAARO C[NH+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000129301127 337383172 /nfs/dbraw/zinc/38/31/72/337383172.db2.gz YCXKXRNNHGQUPP-AWEZNQCLSA-N 1 0 312.458 0.690 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000124643844 525090424 /nfs/dbraw/zinc/09/04/24/525090424.db2.gz ROEOAXGZOSSNLV-QLJPJBMISA-N 1 0 316.361 0.175 50 0 DCAARO [NH3+]C[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1F)C1CC1 ZINC000159286999 527227866 /nfs/dbraw/zinc/22/78/66/527227866.db2.gz QNEYXIHWFCRFCG-ZDUSSCGKSA-N 1 0 306.341 0.822 50 0 DCAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1nc2cccnc2[nH]1 ZINC000222719010 545943109 /nfs/dbraw/zinc/94/31/09/545943109.db2.gz TZYFZUZMIIJGQY-SASUGWTJSA-N 1 0 301.350 0.405 50 0 DCAARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCCN1CCCCC1=O ZINC000670447578 547094949 /nfs/dbraw/zinc/09/49/49/547094949.db2.gz ZBHYZPJOXMVUAR-AWEZNQCLSA-N 1 0 310.442 0.141 50 0 DCAARO Cn1nc2cccc(S(=O)(=O)N3CCC([NH+](C)C)CC3)c2n1 ZINC000670470683 547100571 /nfs/dbraw/zinc/10/05/71/547100571.db2.gz ZEXYBWZILZMTHU-UHFFFAOYSA-N 1 0 323.422 0.683 50 0 DCAARO C[NH+](C)[C@@H]1CN(Cc2ccc3nonc3c2)C[C@@H]1n1ccnn1 ZINC000685940192 548745853 /nfs/dbraw/zinc/74/58/53/548745853.db2.gz UAPLYEDXBKGXEE-CABCVRRESA-N 1 0 313.365 0.801 50 0 DCAARO Cn1nc(C[C@H]2CCCC[C@H]2[NH2+]CCc2cn[nH]n2)n(C)c1=O ZINC000685943524 548748362 /nfs/dbraw/zinc/74/83/62/548748362.db2.gz XXGUDXQRELDQHX-DGCLKSJQSA-N 1 0 319.413 0.171 50 0 DCAARO Cc1nc(S(=O)(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)cn1C ZINC000888095678 661167582 /nfs/dbraw/zinc/16/75/82/661167582.db2.gz QAIAMLXSVIOSGZ-QWRGUYRKSA-N 1 0 300.428 0.736 50 0 DCAARO O=c1ccc(-c2ccccc2)nn1CCNC[C@]1(O)CC[NH2+]C1 ZINC000072423997 658696286 /nfs/dbraw/zinc/69/62/86/658696286.db2.gz MMCUKJXABFMVKV-KRWDZBQOSA-N 1 0 314.389 0.224 50 0 DCAARO COc1ccc2cc(C[N@H+](C)[C@H]3COC[C@@H]3O)c(=O)[nH]c2c1 ZINC000067841210 664550752 /nfs/dbraw/zinc/55/07/52/664550752.db2.gz JIMVZYOCABQHMK-GJZGRUSLSA-N 1 0 304.346 0.728 50 0 DCAARO CS(C)(=O)=NS(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000864094426 667214014 /nfs/dbraw/zinc/21/40/14/667214014.db2.gz VBRHONXGKMDOFM-UHFFFAOYSA-N 1 0 305.425 0.420 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](CNc2cncc(C(=O)N(C)C)n2)C1 ZINC000952962850 685598482 /nfs/dbraw/zinc/59/84/82/685598482.db2.gz GEYHNPIFYZJRQK-ZDUSSCGKSA-N 1 0 321.425 0.949 50 0 DCAARO O=C([C@H]1CC12CCC2)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000952977918 685601141 /nfs/dbraw/zinc/60/11/41/685601141.db2.gz WDOQHTFUBWXBMS-MRXNPFEDSA-N 1 0 321.465 0.778 50 0 DCAARO CN(CC1(CO)CCC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000952981871 685601659 /nfs/dbraw/zinc/60/16/59/685601659.db2.gz WTDSUXAVSWORII-ZDUSSCGKSA-N 1 0 311.426 0.018 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccn1-c1cccc(C#N)c1 ZINC000067513973 685069172 /nfs/dbraw/zinc/06/91/72/685069172.db2.gz DMHFZSRWEGQQDR-YOEHRIQHSA-N 1 0 323.400 0.997 50 0 DCAARO C[NH+](C)[C@@H](CNC(=O)c1cnc(C(N)=O)cn1)c1cccs1 ZINC001772701821 1157840635 /nfs/dbraw/zinc/84/06/35/1157840635.db2.gz ACYXKYGREFHIDJ-NSHDSACASA-N 1 0 319.390 0.670 50 0 DCAARO Cc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772703996 1157842940 /nfs/dbraw/zinc/84/29/40/1157842940.db2.gz OLPPCBRNDCGDLM-SJLPKXTDSA-N 1 0 318.417 0.942 50 0 DCAARO O=C1N[C@@H]2COC[C@H]1C[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC001704316408 1179970928 /nfs/dbraw/zinc/97/09/28/1179970928.db2.gz OOKNDASVARCFGK-CABCVRRESA-N 1 0 312.373 0.819 50 0 DCAARO C[N@H+](CCCOc1ccc(C(N)=O)cc1)C[C@H]1COCCO1 ZINC001704347194 1179981174 /nfs/dbraw/zinc/98/11/74/1179981174.db2.gz JFQYAIKXKMJCIC-HNNXBMFYSA-N 1 0 308.378 0.902 50 0 DCAARO C[NH+](C)C[C@@H]1COCCN(C2CCN(C(=O)C3CC3)CC2)C1 ZINC000823690089 758261727 /nfs/dbraw/zinc/26/17/27/758261727.db2.gz LLKISTYSVMBQEA-AWEZNQCLSA-N 1 0 309.454 0.897 50 0 DCAARO COCC[N@@H+]1CCC[C@H](CNS(=O)(=O)N2CCCC2)C1 ZINC000824413179 758772731 /nfs/dbraw/zinc/77/27/31/758772731.db2.gz SPTFWOBSSMFYNH-CYBMUJFWSA-N 1 0 305.444 0.275 50 0 DCAARO Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2C=CC[NH2+]2)cc1 ZINC000827785158 758880149 /nfs/dbraw/zinc/88/01/49/758880149.db2.gz GFOBDEIQUNXQSR-CQSZACIVSA-N 1 0 323.418 0.308 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)CSc1nncn1C ZINC000827847632 758892272 /nfs/dbraw/zinc/89/22/72/758892272.db2.gz DBIBUOQYQGIEMO-UHFFFAOYSA-N 1 0 306.395 0.261 50 0 DCAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCc1noc(-c2cccs2)n1 ZINC000828116138 758924459 /nfs/dbraw/zinc/92/44/59/758924459.db2.gz XDYDZCNHNOYIRC-VIFPVBQESA-N 1 0 318.362 0.707 50 0 DCAARO COCC[N@H+](C)C[C@H]1C[C@@H](CO)CN(c2noc(C3CC3)n2)C1 ZINC000219603787 766272302 /nfs/dbraw/zinc/27/23/02/766272302.db2.gz SRDLQZOXKYSYEN-CHWSQXEVSA-N 1 0 324.425 0.960 50 0 DCAARO C[C@@H](O)C[N@H+](C)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC000952879672 768944767 /nfs/dbraw/zinc/94/47/67/768944767.db2.gz GIOSDEPMVJSQHS-BPLDGKMQSA-N 1 0 308.378 0.681 50 0 DCAARO COc1cccnc1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000952884302 768952866 /nfs/dbraw/zinc/95/28/66/768952866.db2.gz XHLHZKUCSLWLCT-RYUDHWBXSA-N 1 0 307.398 0.846 50 0 DCAARO COc1ccc(C[N@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)cn1 ZINC001529089603 1014494043 /nfs/dbraw/zinc/49/40/43/1014494043.db2.gz PSGVVYZNNKYAQH-UKRRQHHQSA-N 1 0 300.362 0.916 50 0 DCAARO CN(C)c1nccnc1N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC001529106541 1014497319 /nfs/dbraw/zinc/49/73/19/1014497319.db2.gz PYEAXYAOTMRWDW-CQSZACIVSA-N 1 0 305.426 0.826 50 0 DCAARO C[C@H](C[NH+]1CCCCC1)C(=O)N1CCCN(C(=O)CO)CC1 ZINC001529186169 1014517187 /nfs/dbraw/zinc/51/71/87/1014517187.db2.gz WAUWTEBVRAFAEL-CQSZACIVSA-N 1 0 311.426 0.162 50 0 DCAARO CN(CC[N@H+](C)C1CCCC1)C(=O)CCCS(N)(=O)=O ZINC001506418460 1017263229 /nfs/dbraw/zinc/26/32/29/1017263229.db2.gz TXUFNFZRCQNQKL-UHFFFAOYSA-N 1 0 305.444 0.388 50 0 DCAARO Nc1ncc(/C=C/C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cn1 ZINC001506400010 1017255775 /nfs/dbraw/zinc/25/57/75/1017255775.db2.gz LHCWJMHSHQLVNT-CTXXGXLOSA-N 1 0 317.393 0.130 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1nc2c(cc1=O)CCCC2 ZINC000095480068 185373683 /nfs/dbraw/zinc/37/36/83/185373683.db2.gz FSUXGFFXCZUHGG-AWEZNQCLSA-N 1 0 318.421 0.723 50 0 DCAARO O=C(CCCn1cnnn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000082134308 192360551 /nfs/dbraw/zinc/36/05/51/192360551.db2.gz JDPFABDYONTFIW-UHFFFAOYSA-N 1 0 306.414 0.930 50 0 DCAARO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(-n2ccnn2)cc1 ZINC000097033687 185399960 /nfs/dbraw/zinc/39/99/60/185399960.db2.gz HCGQEEOUFQFXMC-CYBMUJFWSA-N 1 0 315.377 0.777 50 0 DCAARO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000069740509 190811140 /nfs/dbraw/zinc/81/11/40/190811140.db2.gz YNJAVRCAYRPNFY-KGLIPLIRSA-N 1 0 302.378 0.931 50 0 DCAARO O=C([O-])C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071753618 191023784 /nfs/dbraw/zinc/02/37/84/191023784.db2.gz HMUQJQZMWIOTET-LBPRGKRZSA-N 1 0 309.410 0.526 50 0 DCAARO CC[C@@H]1CN(C(=O)Cc2nnc(-c3ccncc3)[nH]2)CC[NH2+]1 ZINC000071755450 191024852 /nfs/dbraw/zinc/02/48/52/191024852.db2.gz QUPDKXPMACKYCI-GFCCVEGCSA-N 1 0 300.366 0.620 50 0 DCAARO [NH3+]CC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072149056 191054277 /nfs/dbraw/zinc/05/42/77/191054277.db2.gz FLDGTYBMPNWFNZ-MRXNPFEDSA-N 1 0 320.412 0.897 50 0 DCAARO COc1cccc(CN2CCN(C[C@@H]3CC[NH2+]C3)CC2=O)c1 ZINC000072153816 191058113 /nfs/dbraw/zinc/05/81/13/191058113.db2.gz CXNHJJORPLWNFT-OAHLLOKOSA-N 1 0 303.406 0.949 50 0 DCAARO O=C(c1n[nH]c2ccccc21)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072162624 191063604 /nfs/dbraw/zinc/06/36/04/191063604.db2.gz JTIKADKATWYHDZ-MRXNPFEDSA-N 1 0 316.361 0.394 50 0 DCAARO Nc1cc(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)ccn1 ZINC000072174288 191071354 /nfs/dbraw/zinc/07/13/54/191071354.db2.gz CVJCWQRQULJFKT-UHFFFAOYSA-N 1 0 304.394 0.725 50 0 DCAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCS(N)(=O)=O ZINC000072253596 191087728 /nfs/dbraw/zinc/08/77/28/191087728.db2.gz YPPZBDLDEHANLK-GFCCVEGCSA-N 1 0 300.428 0.852 50 0 DCAARO C[NH+](C)C[C@H]1CN(CC(=O)N2CCc3ccccc32)CCO1 ZINC000072267642 191090995 /nfs/dbraw/zinc/09/09/95/191090995.db2.gz LIFFOYXWKRHLBE-HNNXBMFYSA-N 1 0 303.406 0.838 50 0 DCAARO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000094345672 290939801 /nfs/dbraw/zinc/93/98/01/290939801.db2.gz XXUVFWNNUQGFQY-CMPLNLGQSA-N 1 0 312.391 0.734 50 0 DCAARO Nc1nc2c(c(NC3CC3)n1)CCN(C(=O)[C@@H]1C=CC[NH2+]1)CC2 ZINC000072423170 191158434 /nfs/dbraw/zinc/15/84/34/191158434.db2.gz NMEUMXAKYAFTSP-ZDUSSCGKSA-N 1 0 314.393 0.088 50 0 DCAARO Cn1cccc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072480009 191181498 /nfs/dbraw/zinc/18/14/98/191181498.db2.gz NFXYXUMZNTZSNA-QWHCGFSZSA-N 1 0 304.394 0.437 50 0 DCAARO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1C[C@@H](O)[C@H](O)C2 ZINC000003831166 181047804 /nfs/dbraw/zinc/04/78/04/181047804.db2.gz VWPOSFSPZNDTMJ-NWANDNLSSA-N 1 0 309.406 0.635 50 0 DCAARO CC[NH+](CC)CCNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000004109131 181074554 /nfs/dbraw/zinc/07/45/54/181074554.db2.gz QAWYRDTZDXFVIL-UHFFFAOYSA-N 1 0 316.405 0.934 50 0 DCAARO C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H]1C[NH3+] ZINC000237516926 202269407 /nfs/dbraw/zinc/26/94/07/202269407.db2.gz LNZZAFNAHRBZJS-GMTAPVOTSA-N 1 0 321.343 0.983 50 0 DCAARO C[C@H]1CCCN(C(=O)COc2ccc(CC(N)=O)cc2)[C@@H]1C[NH3+] ZINC000237696987 202329591 /nfs/dbraw/zinc/32/95/91/202329591.db2.gz FUFCYENRAUWWQX-SWLSCSKDSA-N 1 0 319.405 0.679 50 0 DCAARO CNc1cc(C(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)ccn1 ZINC000244852983 202501839 /nfs/dbraw/zinc/50/18/39/202501839.db2.gz VDBQZEMHJXSZQJ-DZKIICNBSA-N 1 0 318.421 0.992 50 0 DCAARO C[C@H](c1ccncc1)N(C)C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000091425929 193054324 /nfs/dbraw/zinc/05/43/24/193054324.db2.gz SSYSPNLUJZELNH-GFCCVEGCSA-N 1 0 304.394 0.798 50 0 DCAARO Cc1cc(=O)cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)o1 ZINC000091562945 193073196 /nfs/dbraw/zinc/07/31/96/193073196.db2.gz QVSKPBLUEXVIKV-ZIAGYGMSSA-N 1 0 320.389 0.725 50 0 DCAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2cnc(C3CC3)nc2)C1 ZINC000091574204 193074161 /nfs/dbraw/zinc/07/41/61/193074161.db2.gz LYCFBWWSZJFHAI-OLZOCXBDSA-N 1 0 318.421 0.986 50 0 DCAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(c3nccc(N)n3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091587371 193076848 /nfs/dbraw/zinc/07/68/48/193076848.db2.gz WBERRIPUDMIDRF-XJFOESAGSA-N 1 0 321.425 0.213 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(c2ncc(OC)cn2)C[C@@H]1CO ZINC000091492900 193064647 /nfs/dbraw/zinc/06/46/47/193064647.db2.gz UCBCFXDLAQPDJS-CHWSQXEVSA-N 1 0 310.398 0.108 50 0 DCAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(c2noc(C3CC3)n2)C1 ZINC000091819537 193112371 /nfs/dbraw/zinc/11/23/71/193112371.db2.gz SRDLQZOXKYSYEN-OLZOCXBDSA-N 1 0 324.425 0.960 50 0 DCAARO Cc1nccnc1N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091876885 193121603 /nfs/dbraw/zinc/12/16/03/193121603.db2.gz ZKJAHTJEOMIAPL-OCVGTWLNSA-N 1 0 320.437 0.939 50 0 DCAARO O=C(CCn1cnnn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000221162021 201582367 /nfs/dbraw/zinc/58/23/67/201582367.db2.gz ABGLPZKGQOCASD-UHFFFAOYSA-N 1 0 314.393 0.975 50 0 DCAARO C[NH+]1CCN(CCCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000022934995 182342822 /nfs/dbraw/zinc/34/28/22/182342822.db2.gz HRPCAQNYCACXFU-UHFFFAOYSA-N 1 0 311.451 0.744 50 0 DCAARO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCNC(N)=O)CC1 ZINC000157075050 296243641 /nfs/dbraw/zinc/24/36/41/296243641.db2.gz DSHBTSCZHMONSZ-LBPRGKRZSA-N 1 0 319.409 0.782 50 0 DCAARO C[C@H](CNC(=O)c1cnc2n(c1=O)CCS2)[NH+]1CCCC1 ZINC000042505257 183278025 /nfs/dbraw/zinc/27/80/25/183278025.db2.gz GMIFNOQTJFQDPV-SNVBAGLBSA-N 1 0 308.407 0.563 50 0 DCAARO Cc1csc(N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)n1 ZINC000044975418 183471205 /nfs/dbraw/zinc/47/12/05/183471205.db2.gz FUGMZGSKNYLOJU-ZDUSSCGKSA-N 1 0 307.423 0.831 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1C[C@@H]1COc2ccccc2C1 ZINC000077389291 284872311 /nfs/dbraw/zinc/87/23/11/284872311.db2.gz QBURBUMCDVRMAD-GFCCVEGCSA-N 1 0 315.373 0.912 50 0 DCAARO CCCn1nc(C(=O)NC2CC[NH+](CCOC)CC2)ccc1=O ZINC000063975090 184291382 /nfs/dbraw/zinc/29/13/82/184291382.db2.gz GAJFBSXCDMRSRB-UHFFFAOYSA-N 1 0 322.409 0.494 50 0 DCAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCc1nc(Cc2cccs2)no1 ZINC000067820253 184486709 /nfs/dbraw/zinc/48/67/09/184486709.db2.gz PIWGLAOPKGEDSK-ONGXEEELSA-N 1 0 321.406 0.370 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000044869188 285259220 /nfs/dbraw/zinc/25/92/20/285259220.db2.gz UTEBLFAJAZHTCT-OLZOCXBDSA-N 1 0 317.455 0.401 50 0 DCAARO COc1ccccc1N1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000261596966 257237692 /nfs/dbraw/zinc/23/76/92/257237692.db2.gz AKAUWSCELYSWJS-STQMWFEESA-N 1 0 305.378 0.067 50 0 DCAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCOc1cccc(C(N)=O)c1 ZINC000237471427 257239381 /nfs/dbraw/zinc/23/93/81/257239381.db2.gz JZICMTAEMMKZQS-YPMHNXCESA-N 1 0 305.378 0.893 50 0 DCAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cncc(=O)[nH]1 ZINC000426596674 257245808 /nfs/dbraw/zinc/24/58/08/257245808.db2.gz WXPLYGBRGUSLAI-AWEZNQCLSA-N 1 0 312.373 0.899 50 0 DCAARO [NH3+]CCc1nnc(SC[C@H](O)CO)n1-c1ccccc1F ZINC000426551081 257247216 /nfs/dbraw/zinc/24/72/16/257247216.db2.gz IOSUPVNPQXZOIK-SECBINFHSA-N 1 0 312.370 0.353 50 0 DCAARO COCc1noc(-c2cncnc2N2CCC(C[NH3+])CC2)n1 ZINC000263619121 285516604 /nfs/dbraw/zinc/51/66/04/285516604.db2.gz WZKRDUHJPDHSHB-UHFFFAOYSA-N 1 0 304.354 0.848 50 0 DCAARO CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@H](O)[C@H]12)C(C)C ZINC000001661197 395681205 /nfs/dbraw/zinc/68/12/05/395681205.db2.gz LMFKRLGHEKVMNT-DSRCVFDASA-N 1 0 313.394 0.327 50 0 biogenic DCAARO CCOc1cccc(C[NH2+]CCNC(=O)c2nonc2N)c1 ZINC000002181777 395681440 /nfs/dbraw/zinc/68/14/40/395681440.db2.gz OHRFDYUWKHEPNL-UHFFFAOYSA-N 1 0 305.338 0.570 50 0 DCAARO CCc1nnc(NC(=O)CSc2nc(N)cc(N)[nH+]2)s1 ZINC000002768912 395681787 /nfs/dbraw/zinc/68/17/87/395681787.db2.gz MNKJNJWHGYHCQL-UHFFFAOYSA-N 1 0 311.396 0.786 50 0 DCAARO Cc1ccccc1OCC(=O)N1CCOC[C@H]1C[N@H+](C)CCO ZINC000085469964 395701114 /nfs/dbraw/zinc/70/11/14/395701114.db2.gz CLWWDNJCQAHIRR-OAHLLOKOSA-N 1 0 322.405 0.525 50 0 DCAARO CC(=O)N(Cc1ncc(C)o1)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC000089702325 395714541 /nfs/dbraw/zinc/71/45/41/395714541.db2.gz FPLNDOWSTYEJAZ-CQSZACIVSA-N 1 0 318.381 0.698 50 0 DCAARO Cc1cc2nc(C)c(=O)n(CC(=O)NCC[NH+](C)C)c2cc1C ZINC000032974644 395715052 /nfs/dbraw/zinc/71/50/52/395715052.db2.gz MMWOVNAHUDMJRZ-UHFFFAOYSA-N 1 0 316.405 1.000 50 0 DCAARO CS(=O)(=O)NCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000035624222 395721332 /nfs/dbraw/zinc/72/13/32/395721332.db2.gz WPRKYGCBNRYLBQ-UHFFFAOYSA-N 1 0 308.407 0.570 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1c1ncnc2onc(C)c21 ZINC000091780669 395727437 /nfs/dbraw/zinc/72/74/37/395727437.db2.gz VSNLHWSUGHQPKJ-QWRGUYRKSA-N 1 0 318.381 0.701 50 0 DCAARO C[NH+](C)CC(=O)N1CCN(C(=O)/C=C\c2ccccn2)CC1 ZINC000096292698 395752276 /nfs/dbraw/zinc/75/22/76/395752276.db2.gz OPNXLFZLGAHHTQ-SREVYHEPSA-N 1 0 302.378 0.327 50 0 DCAARO O=C(Nc1cccnc1)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096422122 395753391 /nfs/dbraw/zinc/75/33/91/395753391.db2.gz SEBLEXMEDDEHGQ-NWANDNLSSA-N 1 0 314.389 0.963 50 0 DCAARO CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC000096441635 395753395 /nfs/dbraw/zinc/75/33/95/395753395.db2.gz IKMPWSWMQRTHLM-JTQLQIEISA-N 1 0 321.343 0.998 50 0 DCAARO Cc1cccn(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1=O ZINC000096455271 395753767 /nfs/dbraw/zinc/75/37/67/395753767.db2.gz JOXGBPKRQVKWNL-OAHLLOKOSA-N 1 0 321.421 0.630 50 0 DCAARO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cnccn1 ZINC000097237870 395756571 /nfs/dbraw/zinc/75/65/71/395756571.db2.gz NYRGTESWVYFOAC-HNNXBMFYSA-N 1 0 312.373 0.973 50 0 DCAARO COC(=O)c1cn(C2CC[NH+](Cc3cnn(C)c3C)CC2)nn1 ZINC000097376372 395757722 /nfs/dbraw/zinc/75/77/22/395757722.db2.gz ISXVMSPLWNLUAE-UHFFFAOYSA-N 1 0 318.381 0.944 50 0 DCAARO Cc1nc(CN2CCC[C@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)no1 ZINC000106786728 395783937 /nfs/dbraw/zinc/78/39/37/395783937.db2.gz VTFQIZVNNUWHQT-UONOGXRCSA-N 1 0 320.397 0.190 50 0 DCAARO O=C(c1cccs1)N1CCC(N2CC[NH2+]C[C@@H](O)C2)CC1 ZINC000097515205 395758585 /nfs/dbraw/zinc/75/85/85/395758585.db2.gz GSBXLZXLWOUSLU-CYBMUJFWSA-N 1 0 309.435 0.619 50 0 DCAARO Cc1nnnn1Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000097766497 395760561 /nfs/dbraw/zinc/76/05/61/395760561.db2.gz ZIBPFDCKMVHTGI-UHFFFAOYSA-N 1 0 314.393 0.855 50 0 DCAARO CCCCN1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1=O ZINC000218882392 395843841 /nfs/dbraw/zinc/84/38/41/395843841.db2.gz JUTNOFPAXVOLAA-UHFFFAOYSA-N 1 0 318.425 0.712 50 0 DCAARO COC[C@H](O)C[N@@H+]1CC[C@@H](N(C)Cc2noc(C3CC3)n2)C1 ZINC000221796394 395850946 /nfs/dbraw/zinc/85/09/46/395850946.db2.gz XIISANZGPUGSJR-CHWSQXEVSA-N 1 0 310.398 0.460 50 0 DCAARO Cc1ccnn1CCC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000222377977 395852878 /nfs/dbraw/zinc/85/28/78/395852878.db2.gz XBDNFVGZVMAXAM-XLNGHYISSA-N 1 0 318.421 0.950 50 0 DCAARO [NH3+]C1CC(c2cc(NCCNC(=O)c3cccnc3)ncn2)C1 ZINC000223219942 395853957 /nfs/dbraw/zinc/85/39/57/395853957.db2.gz BQEFMNQTATXTQK-UHFFFAOYSA-N 1 0 312.377 0.918 50 0 DCAARO CCCCN(CCCCO)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055153611 395912191 /nfs/dbraw/zinc/91/21/91/395912191.db2.gz JITXKWLBDLDVOB-CQSZACIVSA-N 1 0 313.442 0.585 50 0 DCAARO C[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC[C@H]1C ZINC000060894708 395965188 /nfs/dbraw/zinc/96/51/88/395965188.db2.gz YGBVPAKDEUUOHY-AGIUHOORSA-N 1 0 317.455 0.736 50 0 DCAARO C[NH+]1CCN(c2cc(CNC(=O)Cn3cccn3)ccn2)CC1 ZINC000061632751 395969867 /nfs/dbraw/zinc/96/98/67/395969867.db2.gz JWTOVBAFHXPWND-UHFFFAOYSA-N 1 0 314.393 0.346 50 0 DCAARO NC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247714393 395978093 /nfs/dbraw/zinc/97/80/93/395978093.db2.gz MIAJHDXMCCTJRD-YPMHNXCESA-N 1 0 303.362 0.434 50 0 DCAARO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000252669678 396023884 /nfs/dbraw/zinc/02/38/84/396023884.db2.gz IIWHERDYFFBEFY-FRRDWIJNSA-N 1 0 319.471 0.503 50 0 DCAARO NC(=O)C[NH2+]C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067713135 396031744 /nfs/dbraw/zinc/03/17/44/396031744.db2.gz KDPRATXFMJUXCM-QGZVFWFLSA-N 1 0 319.405 0.048 50 0 DCAARO Cc1nc2c(cccc2C(=O)N[C@H]2C[C@H]3CN(C)CC[N@@H+]3C2)[nH]1 ZINC000067742846 396032511 /nfs/dbraw/zinc/03/25/11/396032511.db2.gz HERKKVLLJUXVAD-STQMWFEESA-N 1 0 313.405 0.989 50 0 DCAARO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000257181743 396034226 /nfs/dbraw/zinc/03/42/26/396034226.db2.gz FXCDQEGNRLSQJY-JKSUJKDBSA-N 1 0 314.389 0.492 50 0 DCAARO O=C(N[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1CO)c1ccncc1 ZINC000257191941 396035227 /nfs/dbraw/zinc/03/52/27/396035227.db2.gz RWDUOHDCWOLFJO-DZGCQCFKSA-N 1 0 305.378 0.283 50 0 DCAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]CCO ZINC000067841555 396035939 /nfs/dbraw/zinc/03/59/39/396035939.db2.gz RDAZNHDHTAPVII-QGZVFWFLSA-N 1 0 306.406 0.555 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)/C=C/c1ccccc1 ZINC000067921615 396038879 /nfs/dbraw/zinc/03/88/79/396038879.db2.gz ICVRSBAQEHRAFK-NAISLTENSA-N 1 0 309.391 0.135 50 0 DCAARO CN(C)c1nc2c(c(N(C)Cc3nccn3C)n1)CC[NH2+]C2 ZINC000067909735 396039042 /nfs/dbraw/zinc/03/90/42/396039042.db2.gz WRTHJWHISNJPDP-UHFFFAOYSA-N 1 0 301.398 0.558 50 0 DCAARO OC[C@H](O)C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000067967117 396040548 /nfs/dbraw/zinc/04/05/48/396040548.db2.gz JVXULXFKSCIDOB-OAHLLOKOSA-N 1 0 316.405 0.275 50 0 DCAARO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000261597055 396047688 /nfs/dbraw/zinc/04/76/88/396047688.db2.gz AMCTWTCRFIZUKW-JSGCOSHPSA-N 1 0 308.403 0.424 50 0 DCAARO NC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000261755091 396061932 /nfs/dbraw/zinc/06/19/32/396061932.db2.gz NSBYBFSQROEZCW-QLFBSQMISA-N 1 0 316.405 0.730 50 0 DCAARO CCOC(=O)N[C@@H]1CCC[N@H+](CCCC(=O)NC(=O)NC)C1 ZINC000068960389 396067409 /nfs/dbraw/zinc/06/74/09/396067409.db2.gz PDIKVDXFVVJMLM-LLVKDONJSA-N 1 0 314.386 0.433 50 0 DCAARO CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000261819434 396069280 /nfs/dbraw/zinc/06/92/80/396069280.db2.gz SDJYXFRRKPRRCL-OWCLPIDISA-N 1 0 301.390 0.808 50 0 DCAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(Cc2nnnn2C2CC2)CC1 ZINC000069653242 396086223 /nfs/dbraw/zinc/08/62/23/396086223.db2.gz TXNBFYHJYBJLHN-ZDUSSCGKSA-N 1 0 308.430 0.533 50 0 DCAARO O=S(=O)(CC[NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000069814130 396090695 /nfs/dbraw/zinc/09/06/95/396090695.db2.gz GQYDDKUEWAZPKX-HNNXBMFYSA-N 1 0 324.446 0.913 50 0 DCAARO O=S(=O)(CC[NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000069814128 396091054 /nfs/dbraw/zinc/09/10/54/396091054.db2.gz GQYDDKUEWAZPKX-OAHLLOKOSA-N 1 0 324.446 0.913 50 0 DCAARO CC(=O)N1CCC(C(=O)N2C[C@H](CO)C3(C2)CC[NH2+]CC3)CC1 ZINC000169789432 396093510 /nfs/dbraw/zinc/09/35/10/396093510.db2.gz JQDHONCSJGSANB-OAHLLOKOSA-N 1 0 323.437 0.065 50 0 DCAARO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000069930124 396095741 /nfs/dbraw/zinc/09/57/41/396095741.db2.gz VFJWRUCQWOJQLM-AWEZNQCLSA-N 1 0 317.397 0.135 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C[C@H](O)COCc2cccs2)CCO1 ZINC000070004071 396097222 /nfs/dbraw/zinc/09/72/22/396097222.db2.gz MOLWTYDNTQIKAO-UONOGXRCSA-N 1 0 314.451 0.888 50 0 DCAARO C[NH+](C)C[C@H]1CN(C[C@H](O)c2ccc3c(c2)OCO3)CCO1 ZINC000071877058 396121090 /nfs/dbraw/zinc/12/10/90/396121090.db2.gz STDUVQMYBDVGCD-KBPBESRZSA-N 1 0 308.378 0.711 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)n1 ZINC000069493275 396080418 /nfs/dbraw/zinc/08/04/18/396080418.db2.gz WYYNXNSZRDIKEA-HNNXBMFYSA-N 1 0 321.425 0.608 50 0 DCAARO O=C(C[NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)NC1CC1 ZINC000069626438 396085440 /nfs/dbraw/zinc/08/54/40/396085440.db2.gz UVVLFMHLHZBMFI-ZDUSSCGKSA-N 1 0 319.409 0.780 50 0 DCAARO O=C(C[NH2+][C@H]1CCc2ncnn2C1)NCCc1ccsc1 ZINC000075603491 396182368 /nfs/dbraw/zinc/18/23/68/396182368.db2.gz FPSGDOQNNLLZQK-LBPRGKRZSA-N 1 0 305.407 0.603 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)o2)C[C@@H]1[NH+](C)C ZINC000076051569 396194302 /nfs/dbraw/zinc/19/43/02/396194302.db2.gz CKVKLNVMZDNPPO-PWSUYJOCSA-N 1 0 314.407 0.846 50 0 DCAARO CN(C)c1nc(N)nc(CN2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000077315329 396218323 /nfs/dbraw/zinc/21/83/23/396218323.db2.gz WYLGOMRRXULLCC-LBPRGKRZSA-N 1 0 305.430 0.580 50 0 DCAARO CC[NH+](CC)CC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077428118 396221799 /nfs/dbraw/zinc/22/17/99/396221799.db2.gz OBZGARHECKTAAH-CYBMUJFWSA-N 1 0 321.425 0.065 50 0 DCAARO O=C(N[C@@H]1CC[N@H+](C2CCOCC2)C[C@H]1O)c1cccnc1 ZINC000077459342 396223262 /nfs/dbraw/zinc/22/32/62/396223262.db2.gz ICSXBXKDQOWIOL-HUUCEWRRSA-N 1 0 305.378 0.426 50 0 DCAARO C[N@@H+]1CCOC[C@@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC000584885617 396631997 /nfs/dbraw/zinc/63/19/97/396631997.db2.gz MGLXTMHSJLJXJK-JTQLQIEISA-N 1 0 306.366 0.368 50 0 DCAARO Cc1nn(C)c(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)c1Cl ZINC000584886327 396632559 /nfs/dbraw/zinc/63/25/59/396632559.db2.gz FMKAMECGKYOLHU-QWRGUYRKSA-N 1 0 312.801 0.663 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)N[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000584902378 396637352 /nfs/dbraw/zinc/63/73/52/396637352.db2.gz IZMZYVAEAOLJCM-HNNXBMFYSA-N 1 0 316.405 0.824 50 0 DCAARO Cc1ccc(N2CCC[N@H+](C[C@@H](O)Cn3cccn3)CC2)nn1 ZINC000247193677 287091811 /nfs/dbraw/zinc/09/18/11/287091811.db2.gz OILCZFCKXCKSAI-OAHLLOKOSA-N 1 0 316.409 0.555 50 0 DCAARO Cn1ncc2c1nc(N1CCCC1)nc2N1CC[NH+](C)CC1 ZINC000021929760 415155074 /nfs/dbraw/zinc/15/50/74/415155074.db2.gz SSXGGKZVCQGNNV-UHFFFAOYSA-N 1 0 301.398 0.715 50 0 DCAARO COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000007448539 415141698 /nfs/dbraw/zinc/14/16/98/415141698.db2.gz VPTAAHYHWJNCFX-CQSZACIVSA-N 1 0 319.405 0.551 50 0 DCAARO CC[C@@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)[NH+]1CCCC1 ZINC000042498738 415213210 /nfs/dbraw/zinc/21/32/10/415213210.db2.gz KLGZDRAHYTZPDB-QWHCGFSZSA-N 1 0 317.455 0.401 50 0 DCAARO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1C(N)=O ZINC000044492848 415221673 /nfs/dbraw/zinc/22/16/73/415221673.db2.gz PZWPCJVFRDBUBF-LLVKDONJSA-N 1 0 311.407 0.514 50 0 DCAARO C[C@H](Cn1ccnc1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000065452683 415355378 /nfs/dbraw/zinc/35/53/78/415355378.db2.gz MUPUTXDNOYWARH-KGLIPLIRSA-N 1 0 309.414 0.418 50 0 DCAARO O=S1(=O)CC[C@H](C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000048709556 415296559 /nfs/dbraw/zinc/29/65/59/415296559.db2.gz MVWSWRGMLHYWQM-GFCCVEGCSA-N 1 0 310.423 0.601 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCn2cc(Cl)cn2)C1 ZINC000072139104 415408829 /nfs/dbraw/zinc/40/88/29/415408829.db2.gz ZDKBNUHVUSAQBG-AWEZNQCLSA-N 1 0 314.817 0.842 50 0 DCAARO COCCN1CCC[C@@](O)(C[NH2+]Cc2cc(C)nc(C)c2)C1=O ZINC000067676557 415381323 /nfs/dbraw/zinc/38/13/23/415381323.db2.gz KRIOFVGIOCCTPF-QGZVFWFLSA-N 1 0 321.421 0.788 50 0 DCAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc[nH]2)C1 ZINC000091434074 415534941 /nfs/dbraw/zinc/53/49/41/415534941.db2.gz PJTLSQGCFZEOJC-KGLIPLIRSA-N 1 0 309.410 0.664 50 0 DCAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000095367214 415554501 /nfs/dbraw/zinc/55/45/01/415554501.db2.gz QFCXLGZHOBRPIQ-NSHDSACASA-N 1 0 307.398 0.275 50 0 DCAARO Cc1nc2ncccc2c(NCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000095387426 415556582 /nfs/dbraw/zinc/55/65/82/415556582.db2.gz OWXAVRFYUMUZAW-LBPRGKRZSA-N 1 0 314.393 0.942 50 0 DCAARO C[S@@](=O)c1ncn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000095438961 415558768 /nfs/dbraw/zinc/55/87/68/415558768.db2.gz PJNMZXWRXJMYEX-PEBXRYMYSA-N 1 0 320.418 0.435 50 0 DCAARO CCS(=O)(=O)NCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000095939784 415562980 /nfs/dbraw/zinc/56/29/80/415562980.db2.gz KRGGDVXQISDNOX-CYBMUJFWSA-N 1 0 317.455 0.306 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2cccnc2)CC[N@@H+]1C[C@H](C)O ZINC000106906960 415652372 /nfs/dbraw/zinc/65/23/72/415652372.db2.gz WDKJUTQEDDIQNB-DZGCQCFKSA-N 1 0 306.410 0.797 50 0 DCAARO C[C@@H](C[NH+]1CCC(N2CCO[C@H](C)C2)CC1)C(=O)OCCO ZINC000107149767 415661428 /nfs/dbraw/zinc/66/14/28/415661428.db2.gz VUJICXWPYPGXSV-UONOGXRCSA-N 1 0 314.426 0.343 50 0 DCAARO CC[C@@H]1CN(CC(=O)Nc2ccncc2)CC[N@@H+]1C[C@H](C)O ZINC000107351168 415668541 /nfs/dbraw/zinc/66/85/41/415668541.db2.gz FCYLWKNIXXQWKE-DZGCQCFKSA-N 1 0 306.410 0.797 50 0 DCAARO Cc1ccc(C(=O)NCC(=O)NC2CC2)cc1OCCC[NH3+] ZINC000299774515 416065982 /nfs/dbraw/zinc/06/59/82/416065982.db2.gz DKVYNJDOZOFQAA-UHFFFAOYSA-N 1 0 305.378 0.731 50 0 DCAARO Cc1n[nH]nc1C(=O)N1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000299777409 416068085 /nfs/dbraw/zinc/06/80/85/416068085.db2.gz JWKQPYBGKLWKIW-LBPRGKRZSA-N 1 0 307.398 0.686 50 0 DCAARO CC(C)(C)[C@H](NC(=O)C[NH2+]C1CC1)c1nc(-c2nc[nH]n2)no1 ZINC000170593125 416027015 /nfs/dbraw/zinc/02/70/15/416027015.db2.gz MMPZKTNHRQSTIP-SNVBAGLBSA-N 1 0 319.369 0.810 50 0 DCAARO COCC[C@H]1COCCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000253429380 416334790 /nfs/dbraw/zinc/33/47/90/416334790.db2.gz SBGCIYAKLDSGSM-STQMWFEESA-N 1 0 302.440 0.688 50 0 DCAARO Cc1nnc(SCCNC(=O)CN2CCC[C@H](O)C2)s1 ZINC000215607316 416327209 /nfs/dbraw/zinc/32/72/09/416327209.db2.gz SVWWILBZLZNCLP-JTQLQIEISA-N 1 0 316.452 0.512 50 0 DCAARO Cc1nccn1Cc1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000237631824 416328713 /nfs/dbraw/zinc/32/87/13/416328713.db2.gz OAQWPCIQYBLTSD-JKSUJKDBSA-N 1 0 314.389 0.579 50 0 DCAARO CO[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000240555827 416329977 /nfs/dbraw/zinc/32/99/77/416329977.db2.gz GXMNQKCYNLKYOO-UONOGXRCSA-N 1 0 309.410 0.176 50 0 DCAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC000241126099 416330000 /nfs/dbraw/zinc/33/00/00/416330000.db2.gz JJMNFYLBPBRASN-OIISXLGYSA-N 1 0 317.433 0.954 50 0 DCAARO CCS(=O)(=O)N1CCC(C[N@@H+]2CCN(C)C[C@H]2C)CC1 ZINC000245026554 416331201 /nfs/dbraw/zinc/33/12/01/416331201.db2.gz NADQQTXIMDLNLZ-CYBMUJFWSA-N 1 0 303.472 0.684 50 0 DCAARO Cn1ccnc1-c1ccc(N[C@H]2COC[C@@H]2[NH+]2CCCC2)nn1 ZINC000584900230 416516801 /nfs/dbraw/zinc/51/68/01/416516801.db2.gz QOPOVXGVKBKFLY-KBPBESRZSA-N 1 0 314.393 1.152 50 0 DCAARO CC(C)(C)n1nnnc1CN1CCC([NH+]2CCOCC2)CC1 ZINC000585116250 416518914 /nfs/dbraw/zinc/51/89/14/416518914.db2.gz NNUZNIDKJGUIRD-UHFFFAOYSA-N 1 0 308.430 0.725 50 0 DCAARO COc1ccc(C(=O)NCc2nnc(N)s2)cc1OCC[NH3+] ZINC000426550383 416775312 /nfs/dbraw/zinc/77/53/12/416775312.db2.gz HNYAOGHOISXYFD-UHFFFAOYSA-N 1 0 323.378 0.396 50 0 DCAARO C[NH+](C)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)C[C@@H]1O ZINC000647886190 418069531 /nfs/dbraw/zinc/06/95/31/418069531.db2.gz FXKIQFZWLLXEKV-QWRGUYRKSA-N 1 0 304.799 0.635 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000089107889 262524968 /nfs/dbraw/zinc/52/49/68/262524968.db2.gz WGONFVDGUQRUIU-FDYHWXHSSA-N 1 0 305.444 0.448 50 0 DCAARO COc1ccnc(N2CCN(c3cc(C)[nH+]c(N)n3)CC2)n1 ZINC000053576303 274164793 /nfs/dbraw/zinc/16/47/93/274164793.db2.gz IRHKWNVHPARPBE-UHFFFAOYSA-N 1 0 301.354 0.492 50 0 DCAARO CCOc1ncccc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+](C)C ZINC000223706664 276501542 /nfs/dbraw/zinc/50/15/42/276501542.db2.gz OMBBHMJCBYRKMZ-YXCITZCRSA-N 1 0 305.378 0.928 50 0 DCAARO C[N@@H+]1CCN2C[C@@H](NC(=O)c3cn4ccsc4n3)C[C@H]2C1 ZINC000067654167 277115866 /nfs/dbraw/zinc/11/58/66/277115866.db2.gz HHXDXBCEYDUPOU-QWRGUYRKSA-N 1 0 305.407 0.514 50 0 DCAARO CN(C)C(=O)NCc1cc2n(n1)CCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000082083286 281958664 /nfs/dbraw/zinc/95/86/64/281958664.db2.gz OHDWAPOHDZQIBM-ZDUSSCGKSA-N 1 0 320.441 0.470 50 0 DCAARO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC2(CC1)OCCO2 ZINC000026935279 289330502 /nfs/dbraw/zinc/33/05/02/289330502.db2.gz ZIBCJSAYNZKESG-LLVKDONJSA-N 1 0 313.398 0.838 50 0 DCAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000237427187 289793113 /nfs/dbraw/zinc/79/31/13/289793113.db2.gz UHBFIAOGMBSBKO-RNJOBUHISA-N 1 0 305.444 0.400 50 0 DCAARO O=C(CCc1cccnc1)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072128140 295483584 /nfs/dbraw/zinc/48/35/84/295483584.db2.gz NPXDXMPPULVRSQ-MRXNPFEDSA-N 1 0 305.378 0.232 50 0 DCAARO C[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1[NH+](C)C ZINC000078896480 300113336 /nfs/dbraw/zinc/11/33/36/300113336.db2.gz JQOSDVFQIFTQME-NWDGAFQWSA-N 1 0 302.440 0.752 50 0 DCAARO O=C(C1CC[NH2+]CC1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000003882103 303560428 /nfs/dbraw/zinc/56/04/28/303560428.db2.gz VIVZVNQFGWIOBQ-OCCSQVGLSA-N 1 0 301.390 0.794 50 0 biogenic DCAARO CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cc(C)ccc1F ZINC000534590281 334294101 /nfs/dbraw/zinc/29/41/01/334294101.db2.gz TXKIWYITGFQCJH-RYUDHWBXSA-N 1 0 302.371 0.741 50 0 DCAARO Cn1nc(-c2cccc(C(=O)NC[C@@H]3CCC[NH2+]3)c2)ccc1=O ZINC000534631082 334307519 /nfs/dbraw/zinc/30/75/19/334307519.db2.gz CZGYNTFNLXPPTL-AWEZNQCLSA-N 1 0 312.373 0.929 50 0 DCAARO O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccc(NCc2ccncc2)cc1 ZINC000534665374 334318586 /nfs/dbraw/zinc/31/85/86/334318586.db2.gz QALKBXFNIQUCRI-HZPDHXFCSA-N 1 0 312.373 0.756 50 0 DCAARO O=C(c1ccc(=O)n(-c2ccccc2F)n1)N1CC[NH2+]CC1 ZINC000237899677 526659832 /nfs/dbraw/zinc/65/98/32/526659832.db2.gz MGAYBWNQSAYZSN-UHFFFAOYSA-N 1 0 302.309 0.417 50 0 DCAARO Cc1cc([C@H]2CCC[N@H+](C[C@H](O)CN3CCCC3=O)C2)[nH]n1 ZINC000084111113 545699621 /nfs/dbraw/zinc/69/96/21/545699621.db2.gz HNNWLJWUGUWMPC-KBPBESRZSA-N 1 0 306.410 0.881 50 0 DCAARO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000084281165 545700967 /nfs/dbraw/zinc/70/09/67/545700967.db2.gz KGVVBQMNSPPDQG-ZDUSSCGKSA-N 1 0 323.397 0.279 50 0 DCAARO CN1C[C@@]2(CC[N@@H+](C3CSCCSC3)C2)OCC1=O ZINC000670436139 547088903 /nfs/dbraw/zinc/08/89/03/547088903.db2.gz ARMQEYPIYDKAEP-CYBMUJFWSA-N 1 0 302.465 0.768 50 0 DCAARO CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C ZINC000670442497 547092761 /nfs/dbraw/zinc/09/27/61/547092761.db2.gz BVLFIXDRRHFQIN-LBPRGKRZSA-N 1 0 322.409 0.356 50 0 DCAARO CC1(C)CC[N@H+](CC(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)C1 ZINC000685942416 548748411 /nfs/dbraw/zinc/74/84/11/548748411.db2.gz PSRBEKDGMRZKTH-QWHCGFSZSA-N 1 0 308.382 0.404 50 0 DCAARO O=C(N[C@@H]1CCC[NH2+]C1)c1cccc(C(=O)N2CCCC2)n1 ZINC000120149054 659177041 /nfs/dbraw/zinc/17/70/41/659177041.db2.gz LNJPTBRLUYWBRL-GFCCVEGCSA-N 1 0 302.378 0.799 50 0 DCAARO Cc1c(C[N@H+]2CCCN(CC(=O)N(C)C)CC2)cc(C#N)n1C ZINC000129375299 664125223 /nfs/dbraw/zinc/12/52/23/664125223.db2.gz VCASZGAFJZAYEA-UHFFFAOYSA-N 1 0 317.437 0.801 50 0 DCAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCCC(=O)N2C)CC1 ZINC000169792846 664561776 /nfs/dbraw/zinc/56/17/76/664561776.db2.gz DIISHYPXRVODHB-OAHLLOKOSA-N 1 0 324.469 0.531 50 0 DCAARO C=CCOC[C@H](O)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000043737039 669833024 /nfs/dbraw/zinc/83/30/24/669833024.db2.gz HETZRKDPACLXIP-QLFBSQMISA-N 1 0 304.390 0.831 50 0 DCAARO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952969808 685599046 /nfs/dbraw/zinc/59/90/46/685599046.db2.gz QGSXNAQAQDGJBC-ZWNOBZJWSA-N 1 0 321.425 0.411 50 0 DCAARO OC[C@]1(O)CCOC2(CC[NH+](CCCn3cccn3)CC2)C1 ZINC001704336356 1179977127 /nfs/dbraw/zinc/97/71/27/1179977127.db2.gz MCLGPQMCTFAYPQ-HNNXBMFYSA-N 1 0 309.410 0.642 50 0 DCAARO CCn1nc(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)nc1OC ZINC001704339563 1179979355 /nfs/dbraw/zinc/97/93/55/1179979355.db2.gz MKEJPDYQMGMQGU-CQSZACIVSA-N 1 0 322.457 0.770 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccc3c1OCCO3)C2 ZINC001704354036 1179983474 /nfs/dbraw/zinc/98/34/74/1179983474.db2.gz XEQPCVIZWVWNDE-STQMWFEESA-N 1 0 318.373 0.860 50 0 DCAARO CCCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000822993560 758217664 /nfs/dbraw/zinc/21/76/64/758217664.db2.gz RDPLEBFKSMETDJ-GFCCVEGCSA-N 1 0 300.424 0.986 50 0 DCAARO C[N@@H+]1CC[C@@](C)(CNS(=O)(=O)c2cc(C(N)=O)cs2)C1 ZINC000823755054 758264706 /nfs/dbraw/zinc/26/47/06/758264706.db2.gz VTCVONMCKSAIBG-LBPRGKRZSA-N 1 0 317.436 0.467 50 0 DCAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCC(=O)Nc1nncs1 ZINC000828084898 758926044 /nfs/dbraw/zinc/92/60/44/758926044.db2.gz XGNVJAIAVUBETJ-SNVBAGLBSA-N 1 0 311.411 0.809 50 0 DCAARO Nc1nc2nc[nH]c2c(NCCC[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000828711214 759073385 /nfs/dbraw/zinc/07/33/85/759073385.db2.gz RMQWJMDMLFIABE-JTQLQIEISA-N 1 0 305.386 0.393 50 0 DCAARO Cn1ncc2c1nc(NCC[N@@H+]1CCC[C@H](CO)C1)nc2N ZINC000828711154 759074941 /nfs/dbraw/zinc/07/49/41/759074941.db2.gz KKNIFSKKPUGVJX-JTQLQIEISA-N 1 0 305.386 0.062 50 0 DCAARO O=c1ccc(C2CC2)nn1CC1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000585505343 768083135 /nfs/dbraw/zinc/08/31/35/768083135.db2.gz PAVQVQSGRLDRRH-HZPDHXFCSA-N 1 0 319.405 0.592 50 0 DCAARO Cc1cc2n(n1)CCCN(C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)C2 ZINC000952861009 768921125 /nfs/dbraw/zinc/92/11/25/768921125.db2.gz BJWTXZGDBVIENT-CYBMUJFWSA-N 1 0 319.409 0.121 50 0 DCAARO O=C(Cn1cccn1)NCC1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000952867271 768957421 /nfs/dbraw/zinc/95/74/21/768957421.db2.gz LPLZOJCIKOALJQ-HNNXBMFYSA-N 1 0 322.409 0.127 50 0 DCAARO C[NH+](C)C(C)(C)CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529133595 1014502561 /nfs/dbraw/zinc/50/25/61/1014502561.db2.gz QKBQQHNNFYJMBG-CABCVRRESA-N 1 0 319.405 0.699 50 0 DCAARO Cc1nn(C)cc1Cn1ncc(N2CCC[N@H+](C)CC2)cc1=O ZINC000095524578 185377888 /nfs/dbraw/zinc/37/78/88/185377888.db2.gz YNICXOWULIDYEH-UHFFFAOYSA-N 1 0 316.409 0.475 50 0 DCAARO O=C(NCc1ccno1)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000082109218 192357936 /nfs/dbraw/zinc/35/79/36/192357936.db2.gz QAOKPNHVYRHHDC-LLVKDONJSA-N 1 0 304.354 0.728 50 0 DCAARO C[C@H](O)CN(C)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC000095459705 185370771 /nfs/dbraw/zinc/37/07/71/185370771.db2.gz DLVBAJKFCWPMAM-AWEZNQCLSA-N 1 0 320.437 0.961 50 0 DCAARO CC(C)(C)C(=O)N1CC[N@H+](CCC(=O)NC(N)=O)C(C)(C)C1 ZINC000095463383 185371186 /nfs/dbraw/zinc/37/11/86/185371186.db2.gz XLYQAHOUFYIRLD-UHFFFAOYSA-N 1 0 312.414 0.540 50 0 DCAARO CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000071662008 191000821 /nfs/dbraw/zinc/00/08/21/191000821.db2.gz IQRGCSCDLAUHSF-HNNXBMFYSA-N 1 0 300.362 0.819 50 0 DCAARO O=C(NCCc1csc(-c2cccnc2)n1)[C@H]1C[NH2+]CCO1 ZINC000071738561 191019698 /nfs/dbraw/zinc/01/96/98/191019698.db2.gz AWHDPKPRPFXEIZ-CYBMUJFWSA-N 1 0 318.402 0.852 50 0 DCAARO CN(C(=O)CNC(N)=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072133933 191047082 /nfs/dbraw/zinc/04/70/82/191047082.db2.gz BEGIFOALRARTCP-HNNXBMFYSA-N 1 0 318.421 0.820 50 0 DCAARO O=C(NCCc1nc(Cc2ccccc2)no1)[C@H]1C[NH2+]CCO1 ZINC000072128214 191042526 /nfs/dbraw/zinc/04/25/26/191042526.db2.gz SVUUWXTUPPBKKF-CYBMUJFWSA-N 1 0 316.361 0.308 50 0 DCAARO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000072134457 191046744 /nfs/dbraw/zinc/04/67/44/191046744.db2.gz SGGILNCCWHVJRB-MRXNPFEDSA-N 1 0 310.394 0.995 50 0 DCAARO [NH3+][C@H]1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000072141993 191049603 /nfs/dbraw/zinc/04/96/03/191049603.db2.gz OSTAHIRALYQJJX-ZDUSSCGKSA-N 1 0 300.366 0.545 50 0 DCAARO CN(C)c1ccccc1C(=O)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072151245 191055760 /nfs/dbraw/zinc/05/57/60/191055760.db2.gz NOCKFZFDIGHBSP-QGZVFWFLSA-N 1 0 319.405 0.584 50 0 DCAARO Cn1cnnc1C1CCN(Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072155881 191059970 /nfs/dbraw/zinc/05/99/70/191059970.db2.gz XSRHQHDVRKCTMF-UHFFFAOYSA-N 1 0 315.425 0.885 50 0 DCAARO CN1C(=O)CO[C@H](C(=O)NCCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000072237965 191082078 /nfs/dbraw/zinc/08/20/78/191082078.db2.gz SHCVSWMDYZFIFU-CVEARBPZSA-N 1 0 319.405 0.653 50 0 DCAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](CCCO)C1 ZINC000072420126 191157700 /nfs/dbraw/zinc/15/77/00/191157700.db2.gz UOSQPJDWYQNUKV-CQSZACIVSA-N 1 0 323.441 0.209 50 0 DCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3nccc(OC)n3)CC[C@H]21 ZINC000072463586 191174784 /nfs/dbraw/zinc/17/47/84/191174784.db2.gz NRXJDIMWLIRWGT-QWHCGFSZSA-N 1 0 319.409 0.522 50 0 DCAARO C[NH+](C)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000004071386 181069895 /nfs/dbraw/zinc/06/98/95/181069895.db2.gz BXWPUOSKDZAZHT-UHFFFAOYSA-N 1 0 300.380 0.688 50 0 DCAARO COCC[NH2+]CC(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000237141634 202166059 /nfs/dbraw/zinc/16/60/59/202166059.db2.gz NJAIGBXHLBLLFZ-CQSZACIVSA-N 1 0 323.368 0.625 50 0 DCAARO C[C@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CCN1 ZINC000237645252 202315667 /nfs/dbraw/zinc/31/56/67/202315667.db2.gz VSXGKCSHJZILSS-ZDUSSCGKSA-N 1 0 320.418 0.914 50 0 DCAARO Cc1ccccc1[C@H](CC(=O)N1CC[NH2+][C@H](C)C1)NC(N)=O ZINC000188373290 200235744 /nfs/dbraw/zinc/23/57/44/200235744.db2.gz LASUMRJJNFQUQW-OCCSQVGLSA-N 1 0 304.394 0.915 50 0 DCAARO Cn1c(CCNC(=O)[C@@H]2C[NH2+]CCO2)nc2ccc(F)cc21 ZINC000237735664 202343021 /nfs/dbraw/zinc/34/30/21/202343021.db2.gz XOJUCKPISGXGRP-ZDUSSCGKSA-N 1 0 306.341 0.360 50 0 DCAARO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1nnnn1C ZINC000242302240 202472555 /nfs/dbraw/zinc/47/25/55/202472555.db2.gz YQRJLMQZHDBULB-NSHDSACASA-N 1 0 316.369 0.198 50 0 DCAARO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[NH3+])cc1Cl ZINC000195298294 201375266 /nfs/dbraw/zinc/37/52/66/201375266.db2.gz JGOGKWIUHTVSHZ-SSDOTTSWSA-N 1 0 306.771 0.752 50 0 DCAARO COCC[NH2+]CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000006552471 181353032 /nfs/dbraw/zinc/35/30/32/181353032.db2.gz LOCVYRUFJOZRKG-UHFFFAOYSA-N 1 0 318.377 0.659 50 0 DCAARO CCC(=O)c1ccc(OC[C@@H](O)C[NH+](CCO)CCO)cc1 ZINC000006790350 181389956 /nfs/dbraw/zinc/38/99/56/181389956.db2.gz LZBCTXJTNWKWFU-AWEZNQCLSA-N 1 0 311.378 0.306 50 0 DCAARO CCCn1ncc(C(=O)NCCCN2CC[NH+](C)CC2)c1C ZINC000091289055 193031359 /nfs/dbraw/zinc/03/13/59/193031359.db2.gz XCCQTTRLRRSPLW-UHFFFAOYSA-N 1 0 307.442 0.969 50 0 DCAARO C[N@@H+]1CCN(C(=O)NC2CCCC2)C[C@]12CCNC(=O)CC2 ZINC000091548543 193071947 /nfs/dbraw/zinc/07/19/47/193071947.db2.gz WEJFDQBCOQGMMI-INIZCTEOSA-N 1 0 308.426 0.925 50 0 DCAARO [NH3+][C@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1c1ccccc1 ZINC000091656900 193086173 /nfs/dbraw/zinc/08/61/73/193086173.db2.gz JHZSJMIOJOXYFU-CABCVRRESA-N 1 0 301.390 0.952 50 0 DCAARO CCC[C@H]1C[N@H+](CCOC)C[C@@H]1NS(=O)(=O)N(C)CC ZINC000091625913 193081252 /nfs/dbraw/zinc/08/12/52/193081252.db2.gz NJULEIXURCNPQU-STQMWFEESA-N 1 0 307.460 0.519 50 0 DCAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)CN2CCCCC2=O)C1 ZINC000091859787 193118746 /nfs/dbraw/zinc/11/87/46/193118746.db2.gz FQLPWCJVNVYECS-KGLIPLIRSA-N 1 0 311.426 0.018 50 0 DCAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000095996600 193485176 /nfs/dbraw/zinc/48/51/76/193485176.db2.gz WIJCXTBLPNZCSO-SECBINFHSA-N 1 0 304.803 0.690 50 0 DCAARO Cc1nnnn1-c1ccc(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000096133648 193547969 /nfs/dbraw/zinc/54/79/69/193547969.db2.gz OGKHGJMSRHILIP-OKILXGFUSA-N 1 0 312.377 0.191 50 0 DCAARO NC(=O)NCc1cn(CC2CC[NH+]([C@H]3CCSC3)CC2)nn1 ZINC000020406857 182214882 /nfs/dbraw/zinc/21/48/82/182214882.db2.gz WUMHKNMRODCMBH-ZDUSSCGKSA-N 1 0 324.454 0.664 50 0 DCAARO CCNc1cc(NCCNS(=O)(=O)N(C)C)nc(C)[nH+]1 ZINC000042380925 183261873 /nfs/dbraw/zinc/26/18/73/183261873.db2.gz WYLSWAGCOOVAIC-UHFFFAOYSA-N 1 0 302.404 0.025 50 0 DCAARO CCNc1cc(NCCNC(=O)c2ncccn2)nc(C)[nH+]1 ZINC000056906802 184021394 /nfs/dbraw/zinc/02/13/94/184021394.db2.gz DJNZJXFJKXLCPF-UHFFFAOYSA-N 1 0 301.354 0.849 50 0 DCAARO C[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cccn3)c2)C[C@H]1CO ZINC000065492954 184354163 /nfs/dbraw/zinc/35/41/63/184354163.db2.gz IGGQHJZPFHCVJK-HIFRSBDPSA-N 1 0 300.362 0.667 50 0 DCAARO O=C(NCc1cc(Cl)c2c(c1)OCCO2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238008062 256600261 /nfs/dbraw/zinc/60/02/61/256600261.db2.gz BMRGKIQCVQXQAS-MWLCHTKSSA-N 1 0 312.753 0.450 50 0 DCAARO CCc1[nH+]c(N)nc(N2CCC[C@@H](C(=O)NCCCO)C2)c1C ZINC000095377905 257271895 /nfs/dbraw/zinc/27/18/95/257271895.db2.gz ISPUTZZYYFRDQB-GFCCVEGCSA-N 1 0 321.425 0.645 50 0 DCAARO C[C@H]1CN(C(=O)Cc2csc(-c3nc[nH]n3)n2)C[C@H](C)[NH2+]1 ZINC000153954371 257240209 /nfs/dbraw/zinc/24/02/09/257240209.db2.gz XVRJZFLAYRBVKH-IUCAKERBSA-N 1 0 306.395 0.680 50 0 DCAARO COc1ccc(C(=O)NCc2nc(C)c[nH]2)c(OCC[NH3+])c1 ZINC000426602397 257245197 /nfs/dbraw/zinc/24/51/97/257245197.db2.gz HTDGTOBQBMLSFO-UHFFFAOYSA-N 1 0 304.350 0.994 50 0 DCAARO CCO[C@H]1CN(CC)C[C@@H]1NC(=O)c1cn(C)c(C)cc1=O ZINC000426551747 257246733 /nfs/dbraw/zinc/24/67/33/257246733.db2.gz DFWQIGAZCNWBKC-ZFWWWQNUSA-N 1 0 307.394 0.533 50 0 DCAARO Cn1cnnc1SCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000426544541 257246921 /nfs/dbraw/zinc/24/69/21/257246921.db2.gz WULXAMJAXZUSFH-UHFFFAOYSA-N 1 0 313.427 0.134 50 0 DCAARO Cc1cc(=O)cc(C(=O)NC[C@H](O)C[NH+]2CCCCCC2)[nH]1 ZINC000426507881 257248886 /nfs/dbraw/zinc/24/88/86/257248886.db2.gz NFJJISKILARONK-AWEZNQCLSA-N 1 0 307.394 0.650 50 0 DCAARO C[NH+]1CCC(CC(=O)N2CCN(c3ncc[nH]c3=O)CC2)CC1 ZINC000426424389 257250090 /nfs/dbraw/zinc/25/00/90/257250090.db2.gz RJFIIWTVSWBCFV-UHFFFAOYSA-N 1 0 319.409 0.150 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCNc1ncnc2nc[nH]c21 ZINC000012322612 395687350 /nfs/dbraw/zinc/68/73/50/395687350.db2.gz RCTADCSJXGLJEM-NSHDSACASA-N 1 0 317.397 0.755 50 0 DCAARO Cc1cc(OC[C@H](O)C[NH+](CCO)CCO)cc(C)c1Cl ZINC000002940771 395682133 /nfs/dbraw/zinc/68/21/33/395682133.db2.gz ZQQGFHAUKBOKRT-CYBMUJFWSA-N 1 0 317.813 0.983 50 0 DCAARO O=C(CN1CC[NH+](C[C@H](O)C2CC2)CC1)NC1CCCCC1 ZINC000085436831 395700593 /nfs/dbraw/zinc/70/05/93/395700593.db2.gz CPIBOGVUSJSQEN-INIZCTEOSA-N 1 0 309.454 0.824 50 0 DCAARO CN1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)C1=O ZINC000089374995 395710429 /nfs/dbraw/zinc/71/04/29/395710429.db2.gz NYPFKHMKVRAUHF-ZDUSSCGKSA-N 1 0 308.382 0.584 50 0 DCAARO CC[C@@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC000089943400 395717649 /nfs/dbraw/zinc/71/76/49/395717649.db2.gz AJGOAMAMZXWMCU-STQMWFEESA-N 1 0 317.455 0.595 50 0 DCAARO CS(=O)(=O)NCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000037241668 395726201 /nfs/dbraw/zinc/72/62/01/395726201.db2.gz JAQMWRXMVBHONW-UHFFFAOYSA-N 1 0 300.409 0.777 50 0 DCAARO C[NH2+]Cc1nc(CC(N)=O)nn1-c1ccc2nc(C)sc2c1 ZINC000096148823 395746065 /nfs/dbraw/zinc/74/60/65/395746065.db2.gz WQTUMHYSPIILBA-UHFFFAOYSA-N 1 0 316.390 0.933 50 0 DCAARO Cc1cc(N2CCN(CC(=O)N3CCCC3)CC2)nc(N)[nH+]1 ZINC000043533209 395753452 /nfs/dbraw/zinc/75/34/52/395753452.db2.gz VSZYMROEZPBTPM-UHFFFAOYSA-N 1 0 304.398 0.112 50 0 DCAARO C[C@H]1CCC[N@H+](CCNC(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000046878759 395781409 /nfs/dbraw/zinc/78/14/09/395781409.db2.gz HTNYJNJHLVLITF-NSHDSACASA-N 1 0 322.434 0.811 50 0 DCAARO O[C@@H](CN1CCOCC1)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000106785722 395783621 /nfs/dbraw/zinc/78/36/21/395783621.db2.gz VKGPXTOMZOFCAG-CVEARBPZSA-N 1 0 308.426 0.431 50 0 DCAARO CCNc1ncc(C(=O)NCCC[N@@H+]2CCCC[C@H]2CO)cn1 ZINC000097594830 395759069 /nfs/dbraw/zinc/75/90/69/395759069.db2.gz QJRDPUCWHPKZIQ-AWEZNQCLSA-N 1 0 321.425 0.875 50 0 DCAARO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000097660531 395759686 /nfs/dbraw/zinc/75/96/86/395759686.db2.gz WWFIJPKPZJOFSR-HUUCEWRRSA-N 1 0 307.369 0.193 50 0 DCAARO CC[N@@H+]1CC[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 ZINC000097657156 395760033 /nfs/dbraw/zinc/76/00/33/395760033.db2.gz QMLZLTJOMYOLKY-CYBMUJFWSA-N 1 0 304.394 0.818 50 0 DCAARO O=C(Cc1cnc[nH]1)N1CCN(c2cc[nH+]cc2)C[C@@H](O)C1 ZINC000097805644 395761088 /nfs/dbraw/zinc/76/10/88/395761088.db2.gz SMTINWJHFWQWLO-CQSZACIVSA-N 1 0 301.350 0.057 50 0 DCAARO COC(=O)[C@@H]1C[C@H](O)CN1CCn1c(C)nc2ccccc21 ZINC000225352815 395859222 /nfs/dbraw/zinc/85/92/22/395859222.db2.gz QSCZAIWNYNDGKZ-WFASDCNBSA-N 1 0 303.362 0.953 50 0 DCAARO Cc1nc(NCC2(O)CC[NH+](C)CC2)cc(C2CC(O)C2)n1 ZINC000218859023 395844003 /nfs/dbraw/zinc/84/40/03/395844003.db2.gz RISMGJCZVSIBCO-UHFFFAOYSA-N 1 0 306.410 0.892 50 0 DCAARO COc1ccc(CC(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)cc1OC ZINC000219308079 395844641 /nfs/dbraw/zinc/84/46/41/395844641.db2.gz QXXLVSAASRHJIN-KGLIPLIRSA-N 1 0 322.405 0.770 50 0 DCAARO CSc1ncc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cn1 ZINC000220139647 395848016 /nfs/dbraw/zinc/84/80/16/395848016.db2.gz VOQCOKAFTROJOP-STQMWFEESA-N 1 0 322.434 0.870 50 0 DCAARO CS(=O)(=O)NCCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000051187442 395848248 /nfs/dbraw/zinc/84/82/48/395848248.db2.gz NDUHLNHHSOIEEV-UHFFFAOYSA-N 1 0 309.395 0.501 50 0 DCAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cnccn1 ZINC000222411173 395852651 /nfs/dbraw/zinc/85/26/51/395852651.db2.gz IAEGXRGLHWWAKC-HUUCEWRRSA-N 1 0 322.409 0.261 50 0 DCAARO Cc1occc1C(=O)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000223290628 395854886 /nfs/dbraw/zinc/85/48/86/395854886.db2.gz CTGMUOXFDDZSMX-UHFFFAOYSA-N 1 0 321.421 0.803 50 0 DCAARO CC(C)C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)CC(N)=O ZINC000054174182 395895526 /nfs/dbraw/zinc/89/55/26/395895526.db2.gz COUVWOQEDMNVKV-UHFFFAOYSA-N 1 0 302.378 0.909 50 0 DCAARO Cc1cccc([C@H](CC(=O)N2CC[NH2+]C[C@H]2C)NC(N)=O)c1 ZINC000124644462 395901890 /nfs/dbraw/zinc/90/18/90/395901890.db2.gz ZPTPZBRQMRUUMJ-OCCSQVGLSA-N 1 0 304.394 0.915 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000126118839 395909860 /nfs/dbraw/zinc/90/98/60/395909860.db2.gz OVJXTSDOCDBLOL-GOEBONIOSA-N 1 0 303.406 0.708 50 0 DCAARO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000225563996 395862216 /nfs/dbraw/zinc/86/22/16/395862216.db2.gz TZESPDGOXVZQEH-UHFFFAOYSA-N 1 0 302.440 0.959 50 0 DCAARO C[NH+](C)C1(CNC(=O)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000052550872 395865143 /nfs/dbraw/zinc/86/51/43/395865143.db2.gz XVPWWOIGAVJEEB-GFCCVEGCSA-N 1 0 302.440 0.802 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C)CC1 ZINC000229829125 395876727 /nfs/dbraw/zinc/87/67/27/395876727.db2.gz NFDHFEZAZGSNLJ-NUEKZKHPSA-N 1 0 322.453 0.092 50 0 DCAARO CNS(=O)(=O)c1csc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000154134143 396032129 /nfs/dbraw/zinc/03/21/29/396032129.db2.gz PLGYMIPKUHJAEZ-RKDXNWHRSA-N 1 0 317.436 0.479 50 0 DCAARO O=C(NCCc1nnc2n1CC[NH2+]CC2)c1cc2ccccc2[nH]1 ZINC000067770161 396033439 /nfs/dbraw/zinc/03/34/39/396033439.db2.gz WHJTWNZLEMAABS-UHFFFAOYSA-N 1 0 324.388 0.878 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CSc1nc(C)cs1 ZINC000067919599 396038742 /nfs/dbraw/zinc/03/87/42/396038742.db2.gz RVBRHXKVXXXCRC-IUCAKERBSA-N 1 0 314.436 0.218 50 0 DCAARO C[C@@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)[N@H+](C)C1CC1 ZINC000068216961 396050130 /nfs/dbraw/zinc/05/01/30/396050130.db2.gz AJFPODRJUNZOOR-LBPRGKRZSA-N 1 0 321.425 0.370 50 0 DCAARO Cc1cc(N2CCN(CC(=O)NC[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000252496805 396021798 /nfs/dbraw/zinc/02/17/98/396021798.db2.gz PSCQBMVEKZJEGT-MRXNPFEDSA-N 1 0 318.421 0.807 50 0 DCAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)no1 ZINC000069659324 396085917 /nfs/dbraw/zinc/08/59/17/396085917.db2.gz IEIIRZILASADGQ-ONGXEEELSA-N 1 0 304.354 0.815 50 0 DCAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000069701282 396087913 /nfs/dbraw/zinc/08/79/13/396087913.db2.gz HEPOFEPIAWFAKW-IRXDYDNUSA-N 1 0 317.433 0.958 50 0 DCAARO Cc1nnc2n1CCN(CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000069739556 396088426 /nfs/dbraw/zinc/08/84/26/396088426.db2.gz XYPBXYOQEXDCNS-UHFFFAOYSA-N 1 0 318.425 0.145 50 0 DCAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)CN2CCCC2=O)CC1 ZINC000069771703 396089574 /nfs/dbraw/zinc/08/95/74/396089574.db2.gz WUOZWGXWRKWDNX-ZDUSSCGKSA-N 1 0 311.426 0.160 50 0 DCAARO CC[C@H]1CN(CC(=O)NCC(F)(F)F)CC[N@@H+]1CCOC ZINC000069840609 396091847 /nfs/dbraw/zinc/09/18/47/396091847.db2.gz BBCAEISVRNIBFA-NSHDSACASA-N 1 0 311.348 0.708 50 0 DCAARO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000069951650 396096394 /nfs/dbraw/zinc/09/63/94/396096394.db2.gz KRUALKYMSVWOBP-BXUZGUMPSA-N 1 0 318.377 0.933 50 0 DCAARO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000070016330 396098460 /nfs/dbraw/zinc/09/84/60/396098460.db2.gz GVQMZCVQINIYKO-SNVBAGLBSA-N 1 0 321.406 0.969 50 0 DCAARO O=C(CN1CC[NH+](CC2CCCCC2)CC1)N1CCNC(=O)C1 ZINC000071837423 396117889 /nfs/dbraw/zinc/11/78/89/396117889.db2.gz CLHVHEZZRYJYGS-UHFFFAOYSA-N 1 0 322.453 0.143 50 0 DCAARO COCCn1nc(C(=O)N2CCC([NH+](C)C)CC2)ccc1=O ZINC000071846630 396118794 /nfs/dbraw/zinc/11/87/94/396118794.db2.gz WWIAHPNDOKYKEL-UHFFFAOYSA-N 1 0 308.382 0.056 50 0 DCAARO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)COC)CC1 ZINC000071920301 396125235 /nfs/dbraw/zinc/12/52/35/396125235.db2.gz NMGSLWHDVPUMCN-KGLIPLIRSA-N 1 0 300.447 0.594 50 0 DCAARO CN1CCN(C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C1=O ZINC000072267478 396127990 /nfs/dbraw/zinc/12/79/90/396127990.db2.gz SNHVMWWJPKWZSZ-CQSZACIVSA-N 1 0 307.398 0.076 50 0 DCAARO COc1ccccc1[C@H](C)NC(=O)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000072267956 396128245 /nfs/dbraw/zinc/12/82/45/396128245.db2.gz PMWZLYOHLJQFDJ-KBPBESRZSA-N 1 0 321.421 0.793 50 0 DCAARO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000072277635 396129129 /nfs/dbraw/zinc/12/91/29/396129129.db2.gz IDIPGAXCXBJEGY-GFCCVEGCSA-N 1 0 300.428 0.539 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CCO1 ZINC000072298298 396130927 /nfs/dbraw/zinc/13/09/27/396130927.db2.gz IXTNHTYQMNMXCV-YNEHKIRRSA-N 1 0 303.428 0.120 50 0 DCAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000069487220 396080074 /nfs/dbraw/zinc/08/00/74/396080074.db2.gz DHQCJGRQXRNXMQ-UPJWGTAASA-N 1 0 300.424 0.506 50 0 DCAARO Cn1cc(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078788829 396254681 /nfs/dbraw/zinc/25/46/81/396254681.db2.gz XYNWXBFIHHGDJA-CABCVRRESA-N 1 0 306.410 0.410 50 0 DCAARO O=C(Cc1ccc(F)c(Cl)c1F)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000077453452 396222796 /nfs/dbraw/zinc/22/27/96/396222796.db2.gz CZNFCNSPODKSDW-NXEZZACHSA-N 1 0 304.724 1.000 50 0 DCAARO Cc1cccn2c(CN3C(=O)NC4(CC[NH2+]CC4)C3=O)cnc12 ZINC000077504668 396225153 /nfs/dbraw/zinc/22/51/53/396225153.db2.gz BDHGECNYNLFHFX-UHFFFAOYSA-N 1 0 313.361 0.817 50 0 DCAARO COC(=O)c1cc(O)cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000584885140 396632112 /nfs/dbraw/zinc/63/21/12/396632112.db2.gz BPQSRCFYKHJIOT-BETUJISGSA-N 1 0 304.346 0.812 50 0 DCAARO Cc1nonc1CNC(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000584887773 396632871 /nfs/dbraw/zinc/63/28/71/396632871.db2.gz MKCFMBJAUARPBW-LBPRGKRZSA-N 1 0 308.382 0.885 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC000299754174 396714382 /nfs/dbraw/zinc/71/43/82/396714382.db2.gz KIIALSPDIRDJSJ-HYVNUMGLSA-N 1 0 309.454 0.897 50 0 DCAARO COc1ccc([C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2[NH+](C)C)cc1 ZINC000095525252 286362905 /nfs/dbraw/zinc/36/29/05/286362905.db2.gz NOHKGJYKJXNSFC-UONOGXRCSA-N 1 0 320.393 0.220 50 0 DCAARO CCc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(=O)[nH]1 ZINC000262251655 158790361 /nfs/dbraw/zinc/79/03/61/158790361.db2.gz IRGYVDFGVHFVFP-CQSZACIVSA-N 1 0 304.394 0.469 50 0 DCAARO CC(=O)NC[C@@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000330514260 159184077 /nfs/dbraw/zinc/18/40/77/159184077.db2.gz DMJPAVDCMOVLEB-ZDUSSCGKSA-N 1 0 305.444 0.116 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000133741124 196333342 /nfs/dbraw/zinc/33/33/42/196333342.db2.gz JLQZWDZOYVXEMP-CYBMUJFWSA-N 1 0 314.389 0.997 50 0 DCAARO CC[NH+]1CCN(C[C@H](O)COc2cccc(C(=O)OC)c2)CC1 ZINC000025561403 415163431 /nfs/dbraw/zinc/16/34/31/415163431.db2.gz JKNZPZWKDBUYTJ-HNNXBMFYSA-N 1 0 322.405 0.850 50 0 DCAARO C[NH+]1CCC(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)CC1 ZINC000040808462 415197815 /nfs/dbraw/zinc/19/78/15/415197815.db2.gz COJGVGKHTYBANB-MRXNPFEDSA-N 1 0 303.362 0.987 50 0 DCAARO O=C(Cn1nc2ccccn2c1=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044934366 415235129 /nfs/dbraw/zinc/23/51/29/415235129.db2.gz JKPGXLXROOQIKJ-LBPRGKRZSA-N 1 0 315.377 0.097 50 0 DCAARO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1cn[nH]c1 ZINC000048249678 415288264 /nfs/dbraw/zinc/28/82/64/415288264.db2.gz FFHAZCPCIIWGIV-HNNXBMFYSA-N 1 0 315.377 0.950 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)CCNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000048428900 415292394 /nfs/dbraw/zinc/29/23/94/415292394.db2.gz VTWHYZIEUHASAB-ZIAGYGMSSA-N 1 0 311.426 0.329 50 0 DCAARO Cc1nc(CN2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)cs1 ZINC000072149488 415410621 /nfs/dbraw/zinc/41/06/21/415410621.db2.gz WPPQDVNUVDOCNA-CYBMUJFWSA-N 1 0 324.450 0.474 50 0 DCAARO OCC[C@H]1C[N@H+](CCO)CCN1Cc1ccc(F)c(F)c1 ZINC000067689056 415384391 /nfs/dbraw/zinc/38/43/91/415384391.db2.gz VRHZXZPXMFOCHN-ZDUSSCGKSA-N 1 0 300.349 0.826 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc2ccccn2n1 ZINC000067714645 415385083 /nfs/dbraw/zinc/38/50/83/415385083.db2.gz SVMUSXJOXINHCP-GWCFXTLKSA-N 1 0 301.350 0.012 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1c(OC)cccc1OC ZINC000067833505 415386894 /nfs/dbraw/zinc/38/68/94/415386894.db2.gz CJJKWSGWWPVFLO-QWRGUYRKSA-N 1 0 321.377 0.382 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2cccc(OC)c2n1 ZINC000067885768 415390062 /nfs/dbraw/zinc/39/00/62/415390062.db2.gz XWFUZHRUOUSXNT-OCCSQVGLSA-N 1 0 314.389 0.891 50 0 DCAARO CC(C)(CNC(=O)[C@H]1CNC(=O)N1)[N@@H+]1CCc2ccccc2C1 ZINC000089761730 415522647 /nfs/dbraw/zinc/52/26/47/415522647.db2.gz DRIXLYMXSMELQC-CQSZACIVSA-N 1 0 316.405 0.621 50 0 DCAARO O=C(CCn1cncn1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091985927 415538537 /nfs/dbraw/zinc/53/85/37/415538537.db2.gz PLPMGIKVYXUJMY-HUUCEWRRSA-N 1 0 321.425 0.221 50 0 DCAARO CC(C)CN1CC2(CC1=O)CCN(C(=O)[C@H]1C[NH2+]CCO1)CC2 ZINC000095367535 415552523 /nfs/dbraw/zinc/55/25/23/415552523.db2.gz RQPHOEMIILPCQR-CQSZACIVSA-N 1 0 323.437 0.472 50 0 DCAARO CCCCSc1nc(NCCNS(C)(=O)=O)cc(N)[nH+]1 ZINC000095366273 415555325 /nfs/dbraw/zinc/55/53/25/415555325.db2.gz LCKQLQFAFPKYFQ-UHFFFAOYSA-N 1 0 319.456 0.912 50 0 DCAARO CC(C)[NH+]1CCC(CC(=O)NCc2noc(C(N)=O)n2)CC1 ZINC000095388665 415559720 /nfs/dbraw/zinc/55/97/20/415559720.db2.gz MVELNVHBEUUKHI-UHFFFAOYSA-N 1 0 309.370 0.295 50 0 DCAARO C[NH2+]C1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000095972628 415568629 /nfs/dbraw/zinc/56/86/29/415568629.db2.gz SKYFQCBGFDUROQ-UHFFFAOYSA-N 1 0 322.394 0.035 50 0 DCAARO CC(C)=CC(=O)N1CCN(c2cc(C)[nH+]c(N)n2)C[C@H](O)C1 ZINC000097076199 415582222 /nfs/dbraw/zinc/58/22/22/415582222.db2.gz XLHWAKXKGLWDBX-LBPRGKRZSA-N 1 0 305.382 0.343 50 0 DCAARO C[N@@H+]1CCN(Cc2cccnc2N)C[C@@]12CCNC(=O)CC2 ZINC000108001984 415675360 /nfs/dbraw/zinc/67/53/60/415675360.db2.gz RXFKTNBKWXLCTO-MRXNPFEDSA-N 1 0 303.410 0.450 50 0 DCAARO CNC(=O)c1noc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC000299770355 416065880 /nfs/dbraw/zinc/06/58/80/416065880.db2.gz QHLCGDFGGIGLDH-SNVBAGLBSA-N 1 0 309.370 0.310 50 0 DCAARO COc1cc2c(cc1CNC(=O)[C@H]1C[NH2+]CCO1)OCCO2 ZINC000299776228 416067689 /nfs/dbraw/zinc/06/76/89/416067689.db2.gz MFWBTQPRESMOLI-CQSZACIVSA-N 1 0 308.334 0.071 50 0 DCAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CCc1csc(N)n1 ZINC000299794327 416069180 /nfs/dbraw/zinc/06/91/80/416069180.db2.gz KFWSGRDUHVGIPE-RYUDHWBXSA-N 1 0 312.439 0.882 50 0 DCAARO Cc1nn(CC(=O)NCC[N@@H+]2CCCC[C@@H]2CO)cc1Cl ZINC000299793374 416069873 /nfs/dbraw/zinc/06/98/73/416069873.db2.gz GJVDSQMJLYEBCW-GFCCVEGCSA-N 1 0 314.817 0.808 50 0 DCAARO O=C(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)N1CCNC(=O)C1 ZINC000170607296 416027696 /nfs/dbraw/zinc/02/76/96/416027696.db2.gz YPLWIBKNSBVAAA-HOTGVXAUSA-N 1 0 315.417 0.946 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C[C@@H](C)[NH2+]1 ZINC000179161502 416182852 /nfs/dbraw/zinc/18/28/52/416182852.db2.gz BAGCBKJVODXIIP-ZYUZMQFOSA-N 1 0 307.316 0.652 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000247309238 416332815 /nfs/dbraw/zinc/33/28/15/416332815.db2.gz QRAYXYAOCBGAGG-UTLUCORTSA-N 1 0 307.316 0.654 50 0 DCAARO O[C@@H]1CC[N@H+](Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000215458667 416326982 /nfs/dbraw/zinc/32/69/82/416326982.db2.gz JHQBCQHUJDRMDV-MRXNPFEDSA-N 1 0 306.406 0.964 50 0 DCAARO Cc1c(C(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)cnn1C ZINC000215455094 416327114 /nfs/dbraw/zinc/32/71/14/416327114.db2.gz WVWDRZUUXJXAAU-UHFFFAOYSA-N 1 0 305.426 0.486 50 0 DCAARO Cn1c(CCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)nc2ccccc21 ZINC000237729724 416328697 /nfs/dbraw/zinc/32/86/97/416328697.db2.gz LRFMFCZMIPJRCT-WCQYABFASA-N 1 0 302.378 0.345 50 0 DCAARO C[C@H]1CCCN(C(=O)Cn2c3ccccc3[nH]c2=O)[C@@H]1C[NH3+] ZINC000237628725 416328764 /nfs/dbraw/zinc/32/87/64/416328764.db2.gz YGMFSMANZWKMON-SMDDNHRTSA-N 1 0 302.378 0.915 50 0 DCAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC000241126097 416330175 /nfs/dbraw/zinc/33/01/75/416330175.db2.gz JJMNFYLBPBRASN-DJIMGWMZSA-N 1 0 317.433 0.954 50 0 DCAARO CN(CCCc1nccn1C)C(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000243932657 416330271 /nfs/dbraw/zinc/33/02/71/416330271.db2.gz BXKULDWQNSHODR-CQSZACIVSA-N 1 0 307.442 0.447 50 0 DCAARO CN1CC[N@H+](C)[C@H](CC(=O)NCCCNc2cccnc2)C1 ZINC000244601864 416330309 /nfs/dbraw/zinc/33/03/09/416330309.db2.gz DTCYMLNSZWFNQT-OAHLLOKOSA-N 1 0 305.426 0.636 50 0 DCAARO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCNS(=O)(=O)c1ccccc1 ZINC000242292558 416330532 /nfs/dbraw/zinc/33/05/32/416330532.db2.gz YNGKKOOEXYJVJC-UONOGXRCSA-N 1 0 311.451 0.989 50 0 DCAARO Cn1c(CNC(=O)CN2CC[C@@H]([NH+](C)C)C2)nc2ccccc21 ZINC000244708195 416330892 /nfs/dbraw/zinc/33/08/92/416330892.db2.gz KPIFOBZHRPMRCX-CYBMUJFWSA-N 1 0 315.421 0.825 50 0 DCAARO Cc1nc(C)c(S(=O)(=O)NC2(C[NH3+])CCOCC2)s1 ZINC000528056324 417300338 /nfs/dbraw/zinc/30/03/38/417300338.db2.gz MIWMOXAFTFRMQJ-UHFFFAOYSA-N 1 0 305.425 0.546 50 0 DCAARO C[C@@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)C[C@@H](C)[NH2+]1 ZINC000299738994 229372203 /nfs/dbraw/zinc/37/22/03/229372203.db2.gz JILVLAXRUWFQJQ-VXGBXAGGSA-N 1 0 300.366 0.544 50 0 DCAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1COCCN1 ZINC000299740033 229374899 /nfs/dbraw/zinc/37/48/99/229374899.db2.gz USWUPZUALQYEOI-BMFZPTHFSA-N 1 0 318.421 0.397 50 0 DCAARO C[N@@H+]1CCN(CCCNS(N)(=O)=O)[C@H](c2ccccc2)C1 ZINC000065564265 277105497 /nfs/dbraw/zinc/10/54/97/277105497.db2.gz LSIIDUNPDVBGDQ-AWEZNQCLSA-N 1 0 312.439 0.158 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@@H]1CO ZINC000091624927 289197219 /nfs/dbraw/zinc/19/72/19/289197219.db2.gz SLCGDQQMNYODRW-ZIAGYGMSSA-N 1 0 311.426 0.018 50 0 DCAARO CCC[C@H]1CN(S(=O)(=O)N2CCOCC2)C[C@@H]1[NH+](C)C ZINC000091270155 332102624 /nfs/dbraw/zinc/10/26/24/332102624.db2.gz PFRMJTJAYXIEBE-STQMWFEESA-N 1 0 305.444 0.226 50 0 DCAARO Cc1cnn(CCNC(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)c1 ZINC000534590927 334294227 /nfs/dbraw/zinc/29/42/27/334294227.db2.gz PQFVJCYCOIZCQF-OAHLLOKOSA-N 1 0 307.442 0.724 50 0 DCAARO CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cnnc3)nc2)[C@@H](OC)C1 ZINC000534655884 334313711 /nfs/dbraw/zinc/31/37/11/334313711.db2.gz VEHQWKNLUUWGMJ-STQMWFEESA-N 1 0 316.365 0.111 50 0 DCAARO O=C(NCCc1csc(-c2ncccn2)n1)[C@H]1C=CC[NH2+]1 ZINC000534655232 334313764 /nfs/dbraw/zinc/31/37/64/334313764.db2.gz AQGQLQWKQMRRQZ-LLVKDONJSA-N 1 0 301.375 0.787 50 0 DCAARO Cc1ccc(OCCS(=O)(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000534663993 334323294 /nfs/dbraw/zinc/32/32/94/334323294.db2.gz MGVHJSXOAHLHBB-AWEZNQCLSA-N 1 0 314.407 0.282 50 0 DCAARO NC(=O)c1cc([C@@H]2CCC[N@H+](CCOC[C@H]3CCCO3)C2)n[nH]1 ZINC000299754303 534472178 /nfs/dbraw/zinc/47/21/78/534472178.db2.gz HLGPNFAEHWZUSW-CHWSQXEVSA-N 1 0 322.409 0.884 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC[NH2+]1 ZINC000188387128 524867669 /nfs/dbraw/zinc/86/76/69/524867669.db2.gz YHSQQHHVIFKMAU-QLJPJBMISA-N 1 0 316.361 0.175 50 0 DCAARO Cn1cc([C@@]2(C)CN(C(=O)[C@H]3CC34CC[NH2+]CC4)CCO2)cn1 ZINC000237802346 527311023 /nfs/dbraw/zinc/31/10/23/527311023.db2.gz VRTAQQRMJMBREB-GDBMZVCRSA-N 1 0 318.421 0.884 50 0 DCAARO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000084325932 545699685 /nfs/dbraw/zinc/69/96/85/545699685.db2.gz QRINROYLFLZYHN-CYBMUJFWSA-N 1 0 307.442 0.970 50 0 DCAARO O=C(CCN1CCCCC1=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000670438028 547090941 /nfs/dbraw/zinc/09/09/41/547090941.db2.gz DMACGBUNSDORTG-AWEZNQCLSA-N 1 0 311.426 0.352 50 0 DCAARO CN(C)C(=O)CN1CC[C@H]([N@H+](C)CC2(C)COC2)CCC1=O ZINC000670450614 547096003 /nfs/dbraw/zinc/09/60/03/547096003.db2.gz LGNDXQIGTDZZNF-CYBMUJFWSA-N 1 0 311.426 0.424 50 0 DCAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCCCn2ccccc2=O)C1 ZINC000670467497 547100464 /nfs/dbraw/zinc/10/04/64/547100464.db2.gz UDIGVWRGMLTWAO-OAHLLOKOSA-N 1 0 321.421 0.854 50 0 DCAARO Cc1nc2n(c1C)CCN(C(=O)[C@]13C[NH2+]C[C@H]1COCC3)C2 ZINC000685942639 548747994 /nfs/dbraw/zinc/74/79/94/548747994.db2.gz QDLVEGYWFSOONM-XJKSGUPXSA-N 1 0 304.394 0.468 50 0 DCAARO CC(=O)N1CCC[C@H](S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000257365071 563595087 /nfs/dbraw/zinc/59/50/87/563595087.db2.gz FUUURUZFUUCUOH-KBPBESRZSA-N 1 0 315.439 0.107 50 0 DCAARO [NH3+]Cc1cn(C[C@@H]2CCCN(C(=O)Cc3ccccn3)C2)nn1 ZINC000023153597 658828871 /nfs/dbraw/zinc/82/88/71/658828871.db2.gz CLBHGNMVQGCKKG-CYBMUJFWSA-N 1 0 314.393 0.613 50 0 DCAARO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(-c2ccno2)o1 ZINC000082136900 670466512 /nfs/dbraw/zinc/46/65/12/670466512.db2.gz YARJBHHWKXFNKZ-IUCAKERBSA-N 1 0 315.326 0.913 50 0 DCAARO C[C@H](c1nccs1)N(C)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952963550 685597921 /nfs/dbraw/zinc/59/79/21/685597921.db2.gz KSIQHAUJERPINB-GHMZBOCLSA-N 1 0 310.423 0.860 50 0 DCAARO C[C@H](c1nccs1)N(C)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952963553 685598497 /nfs/dbraw/zinc/59/84/97/685598497.db2.gz KSIQHAUJERPINB-MNOVXSKESA-N 1 0 310.423 0.860 50 0 DCAARO C[C@H](CO)C[NH+]1CCC(CNC(=O)CN2CCCC2=O)CC1 ZINC000952966755 685598752 /nfs/dbraw/zinc/59/87/52/685598752.db2.gz JSUBASHNGFYBMQ-ZDUSSCGKSA-N 1 0 311.426 0.065 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCC3(CCOCC3)CC2)C1 ZINC000952967529 685598821 /nfs/dbraw/zinc/59/88/21/685598821.db2.gz KTVJUWAZMQSFPF-AWEZNQCLSA-N 1 0 323.437 0.603 50 0 DCAARO Cn1ccnc1[C@@H](NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)C1CC1 ZINC000952965887 685599148 /nfs/dbraw/zinc/59/91/48/685599148.db2.gz UOJTTZAUGQPGQS-JSGCOSHPSA-N 1 0 319.409 0.185 50 0 DCAARO Cc1cccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952984889 685601928 /nfs/dbraw/zinc/60/19/28/685601928.db2.gz YHJWRNUNPMRWOD-CHWSQXEVSA-N 1 0 304.394 0.765 50 0 DCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1c[nH]c2ccccc12 ZINC000067908568 685070657 /nfs/dbraw/zinc/07/06/57/685070657.db2.gz WTVGQDMLNOVCQT-FZMZJTMJSA-N 1 0 300.362 0.385 50 0 DCAARO Cn1ncc2c1nc(C(C)(C)C)nc2N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000072152887 685075059 /nfs/dbraw/zinc/07/50/59/685075059.db2.gz NKMBKOCPLZZOOV-RYUDHWBXSA-N 1 0 318.425 0.772 50 0 DCAARO CN(CC(=O)N[C@H](c1nccn1C)C1CC1)C1CC[NH2+]CC1 ZINC000828000871 758907401 /nfs/dbraw/zinc/90/74/01/758907401.db2.gz IHCRXQKFUDBKOO-HNNXBMFYSA-N 1 0 305.426 0.671 50 0 DCAARO O=S(=O)(N1CCCC1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000828605403 759045335 /nfs/dbraw/zinc/04/53/35/759045335.db2.gz YBVFOLZHTRQLFL-UHFFFAOYSA-N 1 0 317.455 0.250 50 0 DCAARO O=S(=O)(CC1CCCC1)NCCC[N@H+]1CCC[C@H](O)C1 ZINC000828627378 759048635 /nfs/dbraw/zinc/04/86/35/759048635.db2.gz JBXYYFYFGUDEFY-AWEZNQCLSA-N 1 0 304.456 0.943 50 0 DCAARO Nc1ccc(O)cc1C(=O)NCCC[N@@H+]1CCC[C@H](CO)C1 ZINC000828711095 759074737 /nfs/dbraw/zinc/07/47/37/759074737.db2.gz DJRIBKKRPXMSDU-LBPRGKRZSA-N 1 0 307.394 0.799 50 0 DCAARO CC(C)(C[NH2+]CCN1CCC[C@@H](CO)C1)CN1CCOCC1 ZINC000952861409 768922824 /nfs/dbraw/zinc/92/28/24/768922824.db2.gz FFNVGJJJTVXQDO-MRXNPFEDSA-N 1 0 313.486 0.639 50 0 DCAARO Cc1csc(CCNC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952869312 768925032 /nfs/dbraw/zinc/92/50/32/768925032.db2.gz HEBBECBOIYTWPE-LLVKDONJSA-N 1 0 310.423 0.308 50 0 DCAARO CC(C)[N@@H+]1CCCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1 ZINC001529168063 1014511223 /nfs/dbraw/zinc/51/12/23/1014511223.db2.gz WNJGBWHDVCTQQH-CQSZACIVSA-N 1 0 305.426 0.968 50 0 DCAARO CN(C)S(=O)(=O)C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O ZINC001529150959 1014506477 /nfs/dbraw/zinc/50/64/77/1014506477.db2.gz CHCPRGTXWYXPPF-LSDHHAIUSA-N 1 0 312.435 0.413 50 0 DCAARO CC(=O)N1CCC([N@@H+]2C[C@H](O)[C@H](Cc3cc(C)n[nH]3)C2)CC1 ZINC001529191957 1014517895 /nfs/dbraw/zinc/51/78/95/1014517895.db2.gz KRFZOSVLBXHVOG-CJNGLKHVSA-N 1 0 306.410 0.564 50 0 DCAARO O=C(CN1CCC[NH2+]CC1)Nc1nnc([C@@H]2CCCO2)s1 ZINC001506420265 1017267024 /nfs/dbraw/zinc/26/70/24/1017267024.db2.gz ADBXFRDKWPEOQJ-JTQLQIEISA-N 1 0 311.411 0.623 50 0 DCAARO Cc1nn(C)c2nc(NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)sc12 ZINC000095507383 185375563 /nfs/dbraw/zinc/37/55/63/185375563.db2.gz XTZZQYPYLMIWTL-SNVBAGLBSA-N 1 0 322.438 0.947 50 0 DCAARO O=C(C1=NNC(=O)CC1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095513167 185376467 /nfs/dbraw/zinc/37/64/67/185376467.db2.gz NSZOLMLCHHSNRA-CHWSQXEVSA-N 1 0 304.394 0.585 50 0 DCAARO O=C(Cn1c(=O)[nH]c2ccccc21)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000095517447 185376849 /nfs/dbraw/zinc/37/68/49/185376849.db2.gz DJBSOHWCVKIHIK-NEPJUHHUSA-N 1 0 300.362 0.540 50 0 DCAARO Cn1cc(CNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)cn1 ZINC000082157550 185174117 /nfs/dbraw/zinc/17/41/17/185174117.db2.gz FRORQXRENHTKAC-CYBMUJFWSA-N 1 0 317.397 0.474 50 0 DCAARO Cc1nc(C)c(CC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(=O)[nH]1 ZINC000067805639 190723729 /nfs/dbraw/zinc/72/37/29/190723729.db2.gz FLWWFADIRHIPFB-MRXNPFEDSA-N 1 0 304.394 0.531 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]CC(=O)N(C)Cc1ccco1)CC2 ZINC000069700063 190805294 /nfs/dbraw/zinc/80/52/94/190805294.db2.gz YPOQXYAIFTXUBK-GFCCVEGCSA-N 1 0 317.393 0.997 50 0 DCAARO CN1C(=O)C[C@H](C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC000237056231 282639151 /nfs/dbraw/zinc/63/91/51/282639151.db2.gz XBDSJFLATDIBMO-ZFWWWQNUSA-N 1 0 305.353 0.777 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3nc[nH]n3)C2)CC1 ZINC000071681594 191007167 /nfs/dbraw/zinc/00/71/67/191007167.db2.gz JZZYPUKMDHUTRB-LBPRGKRZSA-N 1 0 306.414 0.227 50 0 DCAARO CO[C@H]1CN(C(=O)c2ccccc2-n2cncn2)CC[C@H]1[NH3+] ZINC000071754368 191024539 /nfs/dbraw/zinc/02/45/39/191024539.db2.gz QUJSKEDAAPYQPC-OCCSQVGLSA-N 1 0 301.350 0.456 50 0 DCAARO Cc1cccc(N2CCN(CC(=O)N[C@H]3CC[C@H]3[NH3+])CC2)c1 ZINC000072128795 191042905 /nfs/dbraw/zinc/04/29/05/191042905.db2.gz PLOLFVWCTKZHFO-CVEARBPZSA-N 1 0 302.422 0.723 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCn2ccccc2=O)CC1 ZINC000072162402 191063499 /nfs/dbraw/zinc/06/34/99/191063499.db2.gz WMEKRYITNTWYQF-QGZVFWFLSA-N 1 0 321.421 0.544 50 0 DCAARO O=S(=O)(NC[C@H]1C[NH2+]CCOC1)c1ccc(F)c(F)c1F ZINC000072164816 191064516 /nfs/dbraw/zinc/06/45/16/191064516.db2.gz KZEMYZSCIODUSN-MRVPVSSYSA-N 1 0 324.324 0.618 50 0 DCAARO O=C(NC[C@@]1(O)CC[NH2+]C1)C1(c2ccc(F)cc2)CCOCC1 ZINC000072168211 191066705 /nfs/dbraw/zinc/06/67/05/191066705.db2.gz UXJDXZHDNLZMMB-MRXNPFEDSA-N 1 0 322.380 0.715 50 0 DCAARO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H](C[NH3+])C3)cc21 ZINC000172212698 198058614 /nfs/dbraw/zinc/05/86/14/198058614.db2.gz UZFCRIZELRSVNJ-LBPRGKRZSA-N 1 0 323.418 0.565 50 0 DCAARO O=C(CCn1ccc(=O)[nH]c1=O)N[C@H]1CC[C@H]1[NH2+]C1CCCC1 ZINC000072432508 191164819 /nfs/dbraw/zinc/16/48/19/191164819.db2.gz WVVLVHJYOHSUQS-OLZOCXBDSA-N 1 0 320.393 0.106 50 0 DCAARO O=C1OCCN1CCn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072475061 191177350 /nfs/dbraw/zinc/17/73/50/191177350.db2.gz BSKXZFMFBXSMEI-UHFFFAOYSA-N 1 0 316.365 0.692 50 0 DCAARO C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000237217861 202194502 /nfs/dbraw/zinc/19/45/02/202194502.db2.gz UFNRQBHVRSFUAZ-MRXNPFEDSA-N 1 0 302.422 0.607 50 0 DCAARO CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000237281337 202217313 /nfs/dbraw/zinc/21/73/13/202217313.db2.gz RJGMXSSXFYCBKW-KGLIPLIRSA-N 1 0 321.352 0.378 50 0 DCAARO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187225581 200079616 /nfs/dbraw/zinc/07/96/16/200079616.db2.gz MUVOJOQOXHWAHB-CYBMUJFWSA-N 1 0 316.361 0.260 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC[NH2+]1 ZINC000237552136 202281581 /nfs/dbraw/zinc/28/15/81/202281581.db2.gz XMYXVBRTBOFUTR-LBPRGKRZSA-N 1 0 301.346 0.924 50 0 DCAARO C[C@H]1CN(C(=O)Cc2csc(N3CCCNC3=O)n2)CC[NH2+]1 ZINC000237748586 202345879 /nfs/dbraw/zinc/34/58/79/202345879.db2.gz CTUDECUMYLRJDR-JTQLQIEISA-N 1 0 323.422 0.426 50 0 DCAARO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000408513639 239271234 /nfs/dbraw/zinc/27/12/34/239271234.db2.gz AJYISFMZISLEGC-OLZOCXBDSA-N 1 0 319.471 0.982 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1CCCOc1ccccc1OC ZINC000091468309 193060099 /nfs/dbraw/zinc/06/00/99/193060099.db2.gz BDDQJVLSCVFYEC-OLZOCXBDSA-N 1 0 307.394 0.612 50 0 DCAARO [NH3+][C@H]1CN(C(=O)c2c[nH]nc2-c2cccc(F)c2)C[C@@H]1CCO ZINC000091694227 193092969 /nfs/dbraw/zinc/09/29/69/193092969.db2.gz YMFBZFOLHGUQTN-FZMZJTMJSA-N 1 0 318.352 0.998 50 0 DCAARO Cc1nccc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000091746767 193101393 /nfs/dbraw/zinc/10/13/93/193101393.db2.gz ULXNRXBSWALTNZ-INIZCTEOSA-N 1 0 303.410 0.918 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@@H]1CO ZINC000091847210 193116835 /nfs/dbraw/zinc/11/68/35/193116835.db2.gz IKOBWKAGNRWDEZ-GHMZBOCLSA-N 1 0 315.801 0.889 50 0 DCAARO Cn1cncc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091894946 193122701 /nfs/dbraw/zinc/12/27/01/193122701.db2.gz VMKKIFUPBUTHEL-HUUCEWRRSA-N 1 0 320.437 0.977 50 0 DCAARO COc1c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(C)nn1C ZINC000093817788 193312263 /nfs/dbraw/zinc/31/22/63/193312263.db2.gz JOPKBPQEEGRZND-CQSZACIVSA-N 1 0 308.426 0.891 50 0 DCAARO COC(=O)c1ccc(N2C(=O)C[C@@H](SCC[NH3+])C2=O)cc1 ZINC000018105987 182093300 /nfs/dbraw/zinc/09/33/00/182093300.db2.gz VPWCXRAISGZQMU-LLVKDONJSA-N 1 0 308.359 0.797 50 0 DCAARO COc1cc(NC(=O)CN2CC[NH2+]CC2)cc(OC)c1OC ZINC000023292106 182356457 /nfs/dbraw/zinc/35/64/57/182356457.db2.gz XFZCLBMMZFSKJT-UHFFFAOYSA-N 1 0 309.366 0.556 50 0 DCAARO O=C(NCC[NH+]1CCCC1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000041905337 183224708 /nfs/dbraw/zinc/22/47/08/183224708.db2.gz MZLCQWNZPZRYRW-OAHLLOKOSA-N 1 0 314.393 0.669 50 0 DCAARO C[C@H](Cn1cccn1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000044954804 183466638 /nfs/dbraw/zinc/46/66/38/183466638.db2.gz QNBJXQBGXSFXFL-ZIAGYGMSSA-N 1 0 309.414 0.418 50 0 DCAARO C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 ZINC000356977048 257235792 /nfs/dbraw/zinc/23/57/92/257235792.db2.gz JFPFHNWSXCBDSM-HOCLYGCPSA-N 1 0 306.406 0.505 50 0 DCAARO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@H]1C[C@H](O)C[NH2+]1 ZINC000521394593 257241114 /nfs/dbraw/zinc/24/11/14/257241114.db2.gz SPNUMTUZYABINZ-XROYCOCOSA-N 1 0 319.188 0.866 50 0 DCAARO Cc1nc(C)c(CC(=O)N2CCN3CC[N@@H+](C)C[C@H]3C2)s1 ZINC000106241043 257242508 /nfs/dbraw/zinc/24/25/08/257242508.db2.gz DHIFFOKYGMGXTA-ZDUSSCGKSA-N 1 0 308.451 0.761 50 0 DCAARO O=C(CCc1nc2cc(F)ccc2[nH]1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000426623259 257244872 /nfs/dbraw/zinc/24/48/72/257244872.db2.gz QFMZRYAWBOJHIJ-DGCLKSJQSA-N 1 0 306.341 0.474 50 0 DCAARO Cn1c(SCC(=O)N2CCCC2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426620306 257245344 /nfs/dbraw/zinc/24/53/44/257245344.db2.gz XITHKCOTWTWDII-LLVKDONJSA-N 1 0 309.439 0.997 50 0 DCAARO Cc1cc(CNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)on1 ZINC000426598836 257246254 /nfs/dbraw/zinc/24/62/54/257246254.db2.gz ILSYZWRTHVLJQN-LBPRGKRZSA-N 1 0 303.366 0.963 50 0 DCAARO COc1ccc(C(=O)N(C)Cc2nonc2C)c(OCC[NH3+])c1 ZINC000426512370 257247488 /nfs/dbraw/zinc/24/74/88/257247488.db2.gz XQLYZXZBNAJKSO-UHFFFAOYSA-N 1 0 320.349 0.996 50 0 DCAARO CN(C)C(=O)c1ccc(CSc2nnc(CC[NH3+])n2C)o1 ZINC000426473399 257250531 /nfs/dbraw/zinc/25/05/31/257250531.db2.gz FBJGALOENUNTCO-UHFFFAOYSA-N 1 0 309.395 0.903 50 0 DCAARO COC1CCN(C(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000426415664 257251870 /nfs/dbraw/zinc/25/18/70/257251870.db2.gz UECSZVARBXQSKX-CYBMUJFWSA-N 1 0 306.410 0.988 50 0 DCAARO O[C@@]1(CN2CCc3c4ccccc4[nH]c3C2)C[NH2+]CCOC1 ZINC000077470214 285344375 /nfs/dbraw/zinc/34/43/75/285344375.db2.gz FLWXECGHJMOGDZ-QGZVFWFLSA-N 1 0 301.390 0.877 50 0 DCAARO Cc1nnc(CN(C)CC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])n1C ZINC000122122194 132161387 /nfs/dbraw/zinc/16/13/87/132161387.db2.gz DTIZQLDVXOWDTN-YPMHNXCESA-N 1 0 308.430 0.284 50 0 DCAARO C[NH+](C)CCNC(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000010111564 395685901 /nfs/dbraw/zinc/68/59/01/395685901.db2.gz DGTKDODIKFLDMT-UHFFFAOYSA-N 1 0 317.386 0.270 50 0 DCAARO C[NH+](C)CCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000010111565 395685930 /nfs/dbraw/zinc/68/59/30/395685930.db2.gz KFJZMVSCEVKNTH-UHFFFAOYSA-N 1 0 317.386 0.270 50 0 DCAARO CCC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)[nH+]2)CC1 ZINC000021793762 395691602 /nfs/dbraw/zinc/69/16/02/395691602.db2.gz XECKPJPAGRCFKP-UHFFFAOYSA-N 1 0 319.409 0.680 50 0 DCAARO C[N@H+](CCO)C[C@H]1COCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000085469862 395701067 /nfs/dbraw/zinc/70/10/67/395701067.db2.gz XITVETHKDNPRPB-ZDUSSCGKSA-N 1 0 322.361 0.180 50 0 DCAARO CC(C)(O)C[NH+]1CCN(Cn2cc(Br)cn2)CC1 ZINC000089761702 395714962 /nfs/dbraw/zinc/71/49/62/395714962.db2.gz NWPZTLHPGJQMGX-UHFFFAOYSA-N 1 0 317.231 0.992 50 0 DCAARO O=C1[C@H]([N@@H+]2CCCC[C@H]2CN2CCOCC2)CCN1C1CC1 ZINC000089819035 395715340 /nfs/dbraw/zinc/71/53/40/395715340.db2.gz DWJQRYZIJWZERD-JKSUJKDBSA-N 1 0 307.438 0.936 50 0 DCAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CNC(=O)N1 ZINC000089794426 395715343 /nfs/dbraw/zinc/71/53/43/395715343.db2.gz XVPPRSQTKUINDN-NEPJUHHUSA-N 1 0 306.366 0.604 50 0 DCAARO CC(C)CNC(=O)NC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000089840248 395715767 /nfs/dbraw/zinc/71/57/67/395715767.db2.gz JDFHEXPFRJIOKR-AWEZNQCLSA-N 1 0 310.442 0.886 50 0 DCAARO Cn1cnc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1Cl ZINC000027968345 395695509 /nfs/dbraw/zinc/69/55/09/395695509.db2.gz DZKRGBVLIOCGJU-UHFFFAOYSA-N 1 0 318.830 0.979 50 0 DCAARO COc1ncccc1-c1cc(N2CC[NH+](C)CC2)nc(N)n1 ZINC000040379201 395733569 /nfs/dbraw/zinc/73/35/69/395733569.db2.gz YBGJKWMSOQBSDD-UHFFFAOYSA-N 1 0 300.366 0.881 50 0 DCAARO CN1CC[N@H+](C)C[C@H]1Cc1nc(-c2ccncc2)nn1CCO ZINC000096162715 395746927 /nfs/dbraw/zinc/74/69/27/395746927.db2.gz QHOMALBTHKUVHW-CQSZACIVSA-N 1 0 316.409 0.121 50 0 DCAARO CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000097234920 395756372 /nfs/dbraw/zinc/75/63/72/395756372.db2.gz ICEMQYHOQFLPRO-JTQLQIEISA-N 1 0 300.428 0.657 50 0 DCAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000046878755 395781541 /nfs/dbraw/zinc/78/15/41/395781541.db2.gz HTNYJNJHLVLITF-LLVKDONJSA-N 1 0 322.434 0.811 50 0 DCAARO Cc1ccc(C)c(CC(=O)N2CC[N@H+](CCO)C[C@@H](O)C2)c1 ZINC000097797197 395760721 /nfs/dbraw/zinc/76/07/21/395760721.db2.gz LRGGCODMYJQVCP-MRXNPFEDSA-N 1 0 306.406 0.343 50 0 DCAARO Cn1nc(C(=O)N2CCC([NH+]3CCSCC3)CC2)ccc1=O ZINC000097823547 395761066 /nfs/dbraw/zinc/76/10/66/395761066.db2.gz QOIKIJCMOFRCAE-UHFFFAOYSA-N 1 0 322.434 0.434 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000046035203 395769607 /nfs/dbraw/zinc/76/96/07/395769607.db2.gz FMCSATAFCSYAIG-MELADBBJSA-N 1 0 319.471 0.662 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000048326361 395813141 /nfs/dbraw/zinc/81/31/41/395813141.db2.gz SBNHFUFYZHDHQL-FRRDWIJNSA-N 1 0 305.444 0.414 50 0 DCAARO NC(=O)C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000051186154 395848293 /nfs/dbraw/zinc/84/82/93/395848293.db2.gz LSHFXNLYGJTDIL-KBPBESRZSA-N 1 0 309.410 0.354 50 0 DCAARO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(Cc2ccccc2)CC1 ZINC000052875714 395872697 /nfs/dbraw/zinc/87/26/97/395872697.db2.gz DLRFNRDXICNGRK-KRWDZBQOSA-N 1 0 317.433 0.788 50 0 DCAARO NC(=O)[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000052942574 395873568 /nfs/dbraw/zinc/87/35/68/395873568.db2.gz MIAJHDXMCCTJRD-WCQYABFASA-N 1 0 303.362 0.434 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000229918224 395876321 /nfs/dbraw/zinc/87/63/21/395876321.db2.gz UHYQICMSXAGYFT-WMLDXEAASA-N 1 0 319.453 0.447 50 0 DCAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC000248146519 395983952 /nfs/dbraw/zinc/98/39/52/395983952.db2.gz SAPATCDQEBCNPT-NWDGAFQWSA-N 1 0 303.428 0.011 50 0 DCAARO O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000151563417 395987950 /nfs/dbraw/zinc/98/79/50/395987950.db2.gz FTHUPFMNJMGHFV-CMPLNLGQSA-N 1 0 318.295 0.967 50 0 DCAARO CCn1c(CN(C)CCn2ccnc2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252536574 396022401 /nfs/dbraw/zinc/02/24/01/396022401.db2.gz IWVSJZUKKYLFQR-BETUJISGSA-N 1 0 303.414 0.831 50 0 DCAARO Cc1nccn1CCN(C)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000252537688 396023082 /nfs/dbraw/zinc/02/30/82/396023082.db2.gz MAPUXZPGLXGUKE-TXEJJXNPSA-N 1 0 302.382 0.938 50 0 DCAARO Cc1cc(=O)n(CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(=O)[nH]1 ZINC000253537354 396030239 /nfs/dbraw/zinc/03/02/39/396030239.db2.gz QOZHIPJQDLSJLA-GFCCVEGCSA-N 1 0 303.366 0.860 50 0 DCAARO CN1CCC2(CC1)CN(C(=O)CN1CCOC1=O)CCC[N@@H+]2C ZINC000067770806 396033224 /nfs/dbraw/zinc/03/32/24/396033224.db2.gz CGDTVVFUZVINJK-UHFFFAOYSA-N 1 0 324.425 0.067 50 0 DCAARO COc1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)nc(OC)n1 ZINC000067822136 396034641 /nfs/dbraw/zinc/03/46/41/396034641.db2.gz XLMJVVRJNNGNBX-OAHLLOKOSA-N 1 0 306.366 0.710 50 0 DCAARO O=C1CN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)CCN1 ZINC000067894105 396038126 /nfs/dbraw/zinc/03/81/26/396038126.db2.gz VTBLDSCJEBRJMJ-UHFFFAOYSA-N 1 0 309.373 0.726 50 0 DCAARO O=C(C[NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)N1CCC1 ZINC000069779083 396090195 /nfs/dbraw/zinc/09/01/95/396090195.db2.gz AMWBXCKOTQGJAM-CYBMUJFWSA-N 1 0 319.409 0.733 50 0 DCAARO Cc1nc(CN2CCC[C@H]([NH2+]CCCN3CCCC3=O)C2)no1 ZINC000069875038 396093538 /nfs/dbraw/zinc/09/35/38/396093538.db2.gz MXFHVXQKXKLAKG-AWEZNQCLSA-N 1 0 321.425 0.945 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(CCC(=O)N2CCc3ccccc32)CC1 ZINC000069922967 396095559 /nfs/dbraw/zinc/09/55/59/396095559.db2.gz NBIXUPLQMAFTHO-OAHLLOKOSA-N 1 0 317.433 0.964 50 0 DCAARO C[C@H](O)C[NH+]1CCN(Cc2cn(-c3ccccc3)nn2)CC1 ZINC000071877383 396121329 /nfs/dbraw/zinc/12/13/29/396121329.db2.gz MVAPTCNHKDOYNJ-AWEZNQCLSA-N 1 0 301.394 0.766 50 0 DCAARO Cn1nnnc1SCCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071886446 396123691 /nfs/dbraw/zinc/12/36/91/396123691.db2.gz FFBSIEQDSNEFQQ-GFCCVEGCSA-N 1 0 324.454 0.779 50 0 DCAARO C[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)C(C)(C)CO ZINC000072290416 396129835 /nfs/dbraw/zinc/12/98/35/396129835.db2.gz BYJNIBKZVBMSJF-GFCCVEGCSA-N 1 0 308.378 0.645 50 0 DCAARO CC1CC[NH+](C[C@H](O)CN2CCO[C@H](Cn3cccn3)C2)CC1 ZINC000069376724 396076269 /nfs/dbraw/zinc/07/62/69/396076269.db2.gz CLVUZJXDPNXVFA-IRXDYDNUSA-N 1 0 322.453 0.677 50 0 DCAARO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000069529607 396081740 /nfs/dbraw/zinc/08/17/40/396081740.db2.gz YEWHTPBVFSJYFV-HNNXBMFYSA-N 1 0 324.469 0.483 50 0 DCAARO CC[C@@H]1CN(c2ncnc3c2cnn3C)CC[N@@H+]1C[C@@H](C)O ZINC000078766440 396253739 /nfs/dbraw/zinc/25/37/39/396253739.db2.gz SXKBSXRTYFNBTA-VXGBXAGGSA-N 1 0 304.398 0.645 50 0 DCAARO C[N@@H+]1CC[C@H]2CN(c3cc(N4CCC(O)CC4)ncn3)C[C@H]21 ZINC000077285955 396217427 /nfs/dbraw/zinc/21/74/27/396217427.db2.gz GDDSNQXXPCRUMX-GXTWGEPZSA-N 1 0 303.410 0.578 50 0 DCAARO O[C@@]1(C[NH+]2CCC(OCc3ccccn3)CC2)CNCCOC1 ZINC000077357661 396219244 /nfs/dbraw/zinc/21/92/44/396219244.db2.gz FNGLIJILJSXZCP-QGZVFWFLSA-N 1 0 321.421 0.414 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1noc([C@H]2CCCO2)n1 ZINC000077388064 396220273 /nfs/dbraw/zinc/22/02/73/396220273.db2.gz QKPIMJPRZVUALA-SECBINFHSA-N 1 0 321.337 0.095 50 0 DCAARO CN(Cc1ccc2nsnc2c1)C[C@]1(O)C[NH2+]CCOC1 ZINC000077406764 396221299 /nfs/dbraw/zinc/22/12/99/396221299.db2.gz VJPNMXQSECHIQC-CQSZACIVSA-N 1 0 308.407 0.474 50 0 DCAARO CC(=O)c1ccc(N2CCOC[C@](O)(C[NH+]3CCCC3)C2)nc1 ZINC000077406795 396221601 /nfs/dbraw/zinc/22/16/01/396221601.db2.gz MYHCMTSKNSZYFR-KRWDZBQOSA-N 1 0 319.405 0.948 50 0 DCAARO c1cn(CC[NH+]2CCN(c3ncccn3)CC2)c(-c2c[nH]cn2)n1 ZINC000077524065 396225214 /nfs/dbraw/zinc/22/52/14/396225214.db2.gz REBJZZRBNOTTRP-UHFFFAOYSA-N 1 0 324.392 0.885 50 0 DCAARO COc1cccc(CN2CCN(C[C@@]3(O)CC[NH2+]C3)CC2=O)c1 ZINC000077537992 396225612 /nfs/dbraw/zinc/22/56/12/396225612.db2.gz QLALSCHKJRPKKW-QGZVFWFLSA-N 1 0 319.405 0.064 50 0 DCAARO CNC(=O)c1cccc(NCC2(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000584900342 396636555 /nfs/dbraw/zinc/63/65/55/396636555.db2.gz LLGMCPVYZMFAIB-UHFFFAOYSA-N 1 0 317.437 0.881 50 0 DCAARO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000370211030 397456294 /nfs/dbraw/zinc/45/62/94/397456294.db2.gz AWJIIONDWCWIPA-VXGBXAGGSA-N 1 0 320.459 0.179 50 0 DCAARO COc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1Cl ZINC000165655565 158365023 /nfs/dbraw/zinc/36/50/23/158365023.db2.gz CISDASHUSGIHNQ-VIFPVBQESA-N 1 0 320.798 0.697 50 0 DCAARO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000261975011 158761001 /nfs/dbraw/zinc/76/10/01/158761001.db2.gz NPUQXUGZOARWOG-GHMZBOCLSA-N 1 0 316.361 0.298 50 0 DCAARO C[C@H](Cn1cccn1)[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000138123509 287029307 /nfs/dbraw/zinc/02/93/07/287029307.db2.gz HAIFFLMBWYNWMO-OAHLLOKOSA-N 1 0 315.425 0.473 50 0 DCAARO COC[C@@H](C)NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000025355672 415161376 /nfs/dbraw/zinc/16/13/76/415161376.db2.gz SAMBTHUVVYXKGD-MRXNPFEDSA-N 1 0 319.449 0.998 50 0 DCAARO CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000044966436 415239716 /nfs/dbraw/zinc/23/97/16/415239716.db2.gz KRNIHDJKKHRWPM-GFCCVEGCSA-N 1 0 317.455 0.689 50 0 DCAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000046859817 415262776 /nfs/dbraw/zinc/26/27/76/415262776.db2.gz DENVTQCCVNCDAK-STQMWFEESA-N 1 0 317.455 0.401 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)c2cnc(N(C)C)cn2)CC1 ZINC000332227817 415305993 /nfs/dbraw/zinc/30/59/93/415305993.db2.gz NASUKUPKNQIWIH-UHFFFAOYSA-N 1 0 307.398 0.337 50 0 DCAARO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1cnn(C)c1 ZINC000275801572 415380080 /nfs/dbraw/zinc/38/00/80/415380080.db2.gz WTYNUOCABXLPPD-ZDUSSCGKSA-N 1 0 323.441 0.449 50 0 DCAARO CC(C)c1nccc(C[NH+]2CCC3(CC2)C(=O)NCCN3C)n1 ZINC000067725314 415385774 /nfs/dbraw/zinc/38/57/74/415385774.db2.gz ORSXMDFYYHUNJW-UHFFFAOYSA-N 1 0 317.437 0.996 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1nc2ccccc2[nH]1 ZINC000067820489 415387319 /nfs/dbraw/zinc/38/73/19/415387319.db2.gz GSXYDHKGHVSPTC-GWCFXTLKSA-N 1 0 315.377 0.170 50 0 DCAARO CCC[NH+]1CCC(Cc2noc(CN3C(=O)CNC3=O)n2)CC1 ZINC000095354748 415553528 /nfs/dbraw/zinc/55/35/28/415553528.db2.gz PFYXIUXCBLHZRX-UHFFFAOYSA-N 1 0 321.381 0.786 50 0 DCAARO CCn1cc(CN2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cn1 ZINC000095374005 415556667 /nfs/dbraw/zinc/55/66/67/415556667.db2.gz MDBJXHAJBMRLDL-HZPDHXFCSA-N 1 0 322.453 0.400 50 0 DCAARO CN(C)c1nccnc1N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000095380782 415557041 /nfs/dbraw/zinc/55/70/41/415557041.db2.gz YIPVHNIGDSDQPG-AWEZNQCLSA-N 1 0 305.426 0.968 50 0 DCAARO Cc1n[nH]c(C)c1CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000095374462 415559202 /nfs/dbraw/zinc/55/92/02/415559202.db2.gz SEEUJTBASUPPOF-ZDUSSCGKSA-N 1 0 321.425 0.095 50 0 DCAARO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCC2(CC1)OCCO2 ZINC000105719185 415631353 /nfs/dbraw/zinc/63/13/53/415631353.db2.gz JITGPBPQYONKQN-MCIONIFRSA-N 1 0 312.410 0.850 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@H+]2[C@H](C)C(=O)N2CCOCC2)n1 ZINC000106664243 415644062 /nfs/dbraw/zinc/64/40/62/415644062.db2.gz OUVLJWSZIUBQBU-IUODEOHRSA-N 1 0 321.425 0.607 50 0 DCAARO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000097033308 415579280 /nfs/dbraw/zinc/57/92/80/415579280.db2.gz OYJQTXBXHBTBMB-OLZOCXBDSA-N 1 0 302.440 0.991 50 0 DCAARO C[C@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000107059360 415658945 /nfs/dbraw/zinc/65/89/45/415658945.db2.gz MYCIDNYXIIZUGM-WQGACYEGSA-N 1 0 322.409 0.307 50 0 DCAARO COc1ccc(CN2CCN(C(=O)[C@@H]3C=CC[NH2+]3)CC2=O)cc1 ZINC000299756555 416063649 /nfs/dbraw/zinc/06/36/49/416063649.db2.gz HCBZWZCKMYPLBK-HNNXBMFYSA-N 1 0 315.373 0.394 50 0 DCAARO Cc1ccc([C@@H](CNC(=O)CNC(=O)N(C)C)[NH+](C)C)cc1 ZINC000299767597 416065215 /nfs/dbraw/zinc/06/52/15/416065215.db2.gz MCUXYXHGYLGWKE-CQSZACIVSA-N 1 0 306.410 0.985 50 0 DCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(C(C)C)n(C)c1=O ZINC000299784602 416068318 /nfs/dbraw/zinc/06/83/18/416068318.db2.gz OKBBOTUQQFRTPX-ZFWWWQNUSA-N 1 0 321.421 0.958 50 0 DCAARO Cn1ccnc1[C@H](NC(=O)CN1CCC[N@H+](C)CC1)C1CC1 ZINC000299785862 416069300 /nfs/dbraw/zinc/06/93/00/416069300.db2.gz LXQQEFXVZNHRIR-OAHLLOKOSA-N 1 0 305.426 0.625 50 0 DCAARO Cc1ccc(-c2noc(CCNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)n2)cc1 ZINC000299797725 416072032 /nfs/dbraw/zinc/07/20/32/416072032.db2.gz PDMWOFZXVRSBMB-OLZOCXBDSA-N 1 0 316.361 0.427 50 0 DCAARO O=C(CN1CCOCC1=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000253430263 416334700 /nfs/dbraw/zinc/33/47/00/416334700.db2.gz IOIHDCILCKECRD-ZFWWWQNUSA-N 1 0 321.421 0.321 50 0 DCAARO CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261940304 416335811 /nfs/dbraw/zinc/33/58/11/416335811.db2.gz LHHYKNLOBPZHGP-NWDGAFQWSA-N 1 0 307.398 0.842 50 0 DCAARO Cc1nc([C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccccc2F)no1 ZINC000237779512 416328471 /nfs/dbraw/zinc/32/84/71/416328471.db2.gz IMGZKCQOFCQRTR-STQMWFEESA-N 1 0 320.324 0.711 50 0 DCAARO Cc1nccn1Cc1cccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000237631791 416328706 /nfs/dbraw/zinc/32/87/06/416328706.db2.gz OAQWPCIQYBLTSD-HZPDHXFCSA-N 1 0 314.389 0.579 50 0 DCAARO CN(CCCc1nccn1C)C(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000243932656 416330490 /nfs/dbraw/zinc/33/04/90/416330490.db2.gz BXKULDWQNSHODR-AWEZNQCLSA-N 1 0 307.442 0.447 50 0 DCAARO CC(C)C[N@@H+]1CCN(CC(=O)Nc2ccn(C)n2)C[C@H]1CCO ZINC000244748630 416330640 /nfs/dbraw/zinc/33/06/40/416330640.db2.gz OLMCPTBYPZAJSJ-CQSZACIVSA-N 1 0 323.441 0.383 50 0 DCAARO CCS(=O)(=O)N1CCC[C@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC000416304746 416364979 /nfs/dbraw/zinc/36/49/79/416364979.db2.gz VKKBRLAACHLSEU-LBPRGKRZSA-N 1 0 317.455 0.259 50 0 DCAARO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585116196 416517422 /nfs/dbraw/zinc/51/74/22/416517422.db2.gz KTRCZNVLWYEIQB-WDEREUQCSA-N 1 0 307.398 0.859 50 0 DCAARO Cc1ccc(C(=O)NCc2nc(N)n[nH]2)cc1OCCC[NH3+] ZINC000426521235 416769628 /nfs/dbraw/zinc/76/96/28/416769628.db2.gz MLBNXQBJYWHMNR-UHFFFAOYSA-N 1 0 304.354 0.353 50 0 DCAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000299739974 298997533 /nfs/dbraw/zinc/99/75/33/298997533.db2.gz UHBFIAOGMBSBKO-NDBYEHHHSA-N 1 0 305.444 0.400 50 0 DCAARO Cn1nc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC(F)F ZINC000408383762 417158446 /nfs/dbraw/zinc/15/84/46/417158446.db2.gz XQSHJQKZFRDMBX-VIFPVBQESA-N 1 0 315.324 1.333 50 0 DCAARO CN1CCN(C(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)CC1 ZINC000575605410 417538509 /nfs/dbraw/zinc/53/85/09/417538509.db2.gz PCCRVZYANFUVSK-ZDUSSCGKSA-N 1 0 323.372 0.826 50 0 DCAARO CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000408524214 279200768 /nfs/dbraw/zinc/20/07/68/279200768.db2.gz YWGLJAISCRULRR-AWEZNQCLSA-N 1 0 321.425 0.431 50 0 DCAARO CC(C)N(C)Cc1nnnn1CC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000012111747 279384832 /nfs/dbraw/zinc/38/48/32/279384832.db2.gz LTFHFBWWMRAZKD-CYBMUJFWSA-N 1 0 323.445 0.114 50 0 DCAARO Cc1nc(C[C@H]2CCCN(C(=O)C[NH2+]C[C@H]3CCCO3)C2)no1 ZINC000237773505 293276834 /nfs/dbraw/zinc/27/68/34/293276834.db2.gz CZBJMVPXVSKLKG-ZIAGYGMSSA-N 1 0 322.409 0.928 50 0 DCAARO C[C@](O)(C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O)C(F)(F)F ZINC000408522974 300740824 /nfs/dbraw/zinc/74/08/24/300740824.db2.gz FTOBOWVVDMPHLY-GUBZILKMSA-N 1 0 318.361 0.607 50 0 DCAARO Cc1nnnn1CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091270150 332102525 /nfs/dbraw/zinc/10/25/25/332102525.db2.gz HXQBUNQMCFFEIV-ZIAGYGMSSA-N 1 0 304.398 0.314 50 0 DCAARO NC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000534631896 334307887 /nfs/dbraw/zinc/30/78/87/334307887.db2.gz UTXKHPPYHSHYQV-GJZGRUSLSA-N 1 0 316.405 0.920 50 0 DCAARO Cn1nc2cccc(S(=O)(=O)NC[C@@H]3CCC[NH2+]C3)c2n1 ZINC000534638471 334310150 /nfs/dbraw/zinc/31/01/50/334310150.db2.gz FVPSSUJNUNJNIX-SNVBAGLBSA-N 1 0 309.395 0.246 50 0 DCAARO Cc1ccc(F)c(S(=O)(=O)NC[C@@]2(O)CCC[NH2+]C2)c1 ZINC000534653726 334312893 /nfs/dbraw/zinc/31/28/93/334312893.db2.gz MESOKEKMWNRADB-CYBMUJFWSA-N 1 0 302.371 0.527 50 0 DCAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccccc1-n1cncn1 ZINC000534673766 334321409 /nfs/dbraw/zinc/32/14/09/334321409.db2.gz JZFIMGTZCHQLME-JSGCOSHPSA-N 1 0 301.350 0.326 50 0 DCAARO NC(=O)c1cccc(NCCC[NH+]2CCC(C(N)=O)CC2)n1 ZINC000534676273 334323653 /nfs/dbraw/zinc/32/36/53/334323653.db2.gz BIWJFPNTUPABFO-UHFFFAOYSA-N 1 0 305.382 0.180 50 0 DCAARO C[C@H]1CN(c2ccc(C(=O)N3CC[NH2+]CC3)cn2)C[C@H](C)O1 ZINC000237659833 524668066 /nfs/dbraw/zinc/66/80/66/524668066.db2.gz XVDDEMITEDWXEH-STQMWFEESA-N 1 0 304.394 0.741 50 0 DCAARO O=c1oc2ccccc2n1CC[N@@H+]1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000215999667 545938768 /nfs/dbraw/zinc/93/87/68/545938768.db2.gz ROVNEYOQYXCELS-IKARSPCKSA-N 1 0 318.373 0.658 50 0 DCAARO CC1(C)C[C@@H](C[NH+]2CCN(C(=O)c3nc[nH]n3)CC2)CCO1 ZINC000215869406 545938797 /nfs/dbraw/zinc/93/87/97/545938797.db2.gz MAMCUPZPOCTTMR-LBPRGKRZSA-N 1 0 307.398 0.768 50 0 DCAARO COCC[N@@H+]1CC[C@H](CNC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC000215906471 545939001 /nfs/dbraw/zinc/93/90/01/545939001.db2.gz BXXSHIHZUWDWFT-CYBMUJFWSA-N 1 0 322.409 0.014 50 0 DCAARO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@H]2Cn2cncn2)C[C@@H](C)O1 ZINC000257365393 545976065 /nfs/dbraw/zinc/97/60/65/545976065.db2.gz XIIDOIAPWHAMKG-WCVJEAGWSA-N 1 0 323.441 0.213 50 0 DCAARO CCCS(=O)(=O)NC[C@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000670446029 547095339 /nfs/dbraw/zinc/09/53/39/547095339.db2.gz PJVDUUOQJZSQHV-NSHDSACASA-N 1 0 311.411 0.537 50 0 DCAARO O=C(CCn1cncn1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000670450955 547096664 /nfs/dbraw/zinc/09/66/64/547096664.db2.gz VXWDBSFSGIEPEL-UHFFFAOYSA-N 1 0 307.398 0.428 50 0 DCAARO C[C@@H](CN1CCOCC1)C(=O)NC1(C(N)=O)CCCCCC1 ZINC000670463489 547098493 /nfs/dbraw/zinc/09/84/93/547098493.db2.gz OAUIPCORTQKHKM-ZDUSSCGKSA-N 1 0 311.426 0.649 50 0 DCAARO Cc1c(C(=O)NCc2ccncc2O[C@H]2CC[NH2+]C2)nnn1C ZINC000685941121 548747012 /nfs/dbraw/zinc/74/70/12/548747012.db2.gz RUVUHJVNXUQBNF-LBPRGKRZSA-N 1 0 316.365 0.189 50 0 DCAARO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cnn(C)c1N)C2 ZINC000685942753 548748203 /nfs/dbraw/zinc/74/82/03/548748203.db2.gz VEHAIEBQHGKGBC-BRXULGCHSA-N 1 0 321.425 0.212 50 0 DCAARO CO[C@]12CC[N@H+](CCn3cnnc3C)[C@H]1C[C@@H](OCCO)CC2 ZINC000299783162 659645263 /nfs/dbraw/zinc/64/52/63/659645263.db2.gz QVTXPQZCLZXDSE-HRCADAONSA-N 1 0 324.425 0.607 50 0 DCAARO O=C(CC[NH+]1CCC2(CNC(=O)O2)CC1)Nc1cccnc1 ZINC000299796684 662686962 /nfs/dbraw/zinc/68/69/62/662686962.db2.gz PYUUTEPDDUIALU-UHFFFAOYSA-N 1 0 304.350 0.985 50 0 DCAARO O=C(NCC(F)(F)CO)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000184954023 666308615 /nfs/dbraw/zinc/30/86/15/666308615.db2.gz ZSELWKISHHZHIV-LLVKDONJSA-N 1 0 321.368 0.414 50 0 DCAARO C[C@@H](c1nccs1)N(C)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952963558 685598254 /nfs/dbraw/zinc/59/82/54/685598254.db2.gz KSIQHAUJERPINB-WDEREUQCSA-N 1 0 310.423 0.860 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCCOCc2ccccc2)C1 ZINC000952980450 685601251 /nfs/dbraw/zinc/60/12/51/685601251.db2.gz QPLQNWAPPKVDNS-OAHLLOKOSA-N 1 0 319.405 0.517 50 0 DCAARO Cc1nc2c(c(N3CCO[C@@H](CCO)C3)n1)CC[N@H+](C)CC2 ZINC000065405802 685064376 /nfs/dbraw/zinc/06/43/76/685064376.db2.gz YWOROBOIMKDGOH-ZDUSSCGKSA-N 1 0 306.410 0.403 50 0 DCAARO Cc1nn(C)cc1C(=O)N1CC[C@@]2(CO)CCC[N@H+](C)[C@@H]2C1 ZINC001704297284 1179965166 /nfs/dbraw/zinc/96/51/66/1179965166.db2.gz KRPVMPQTWLBJCC-GDBMZVCRSA-N 1 0 306.410 0.647 50 0 DCAARO COc1cccc(OCC(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)c1 ZINC001704325892 1179973858 /nfs/dbraw/zinc/97/38/58/1179973858.db2.gz WGBXUWPAYGVEJD-KBPBESRZSA-N 1 0 320.389 0.863 50 0 DCAARO Cc1nc(CN(CCO)C(=O)[C@H]2Cc3ccccc3C[NH2+]2)c[nH]1 ZINC001704326295 1179973910 /nfs/dbraw/zinc/97/39/10/1179973910.db2.gz TXQFVRMKPQQPJI-MRXNPFEDSA-N 1 0 314.389 0.754 50 0 DCAARO C[C@@H](C(=O)N1CCC(CNC(=O)c2ccon2)CC1)[NH+](C)C ZINC000820621642 758149280 /nfs/dbraw/zinc/14/92/80/758149280.db2.gz XQXKTDPAIKXHLU-NSHDSACASA-N 1 0 308.382 0.593 50 0 DCAARO CCC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCC(OC)CC2)C1 ZINC000822922794 758213713 /nfs/dbraw/zinc/21/37/13/758213713.db2.gz YCTHIWRXUHMAMC-CYBMUJFWSA-N 1 0 319.471 0.806 50 0 DCAARO C[N@@H+]1CCC[C@@H](Nc2cncc(C(=O)N3CCOCC3)n2)C1 ZINC000823771496 758266834 /nfs/dbraw/zinc/26/68/34/758266834.db2.gz WRJQHUXMLLUWJK-GFCCVEGCSA-N 1 0 305.382 0.455 50 0 DCAARO Cn1nc(C(=O)NCC[NH+]2CCCCC2)c2c1CC[C@@H](O)C2 ZINC000828635505 759053098 /nfs/dbraw/zinc/05/30/98/759053098.db2.gz IAWWHLWOYXTKJH-GFCCVEGCSA-N 1 0 306.410 0.485 50 0 DCAARO CN(C[C@@H]1CCC[N@@H+]1C)c1nccc(N2CCC(O)CC2)n1 ZINC001506397317 1017253885 /nfs/dbraw/zinc/25/38/85/1017253885.db2.gz RVKSPCDDQYUOBT-ZDUSSCGKSA-N 1 0 305.426 0.968 50 0 DCAARO CN(C)C(=O)c1cncc(NCC[N@@H+]2CCC[C@H](CO)C2)n1 ZINC001506404870 1017254838 /nfs/dbraw/zinc/25/48/38/1017254838.db2.gz VUCTUTBBOIMMDE-LBPRGKRZSA-N 1 0 307.398 0.295 50 0 DCAARO CNC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001506404498 1017255985 /nfs/dbraw/zinc/25/59/85/1017255985.db2.gz UUJVWCHTOJGJAO-DABQJJPHSA-N 1 0 323.418 0.404 50 0 DCAARO CSCC[NH+]1CCC(NC(=O)Cn2nc(C)cc2N)CC1 ZINC001506413970 1017262600 /nfs/dbraw/zinc/26/26/00/1017262600.db2.gz MKABGEAXVSACCV-UHFFFAOYSA-N 1 0 311.455 0.717 50 0 DCAARO Cc1cc(N)n(CC(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC001506421269 1017266536 /nfs/dbraw/zinc/26/65/36/1017266536.db2.gz NWDLZLWVSHBYRL-UHFFFAOYSA-N 1 0 307.398 0.097 50 0 DCAARO CCn1ccnc1C1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000095499864 185374702 /nfs/dbraw/zinc/37/47/02/185374702.db2.gz OHRNARVOMXJPQP-AWEZNQCLSA-N 1 0 306.410 0.988 50 0 DCAARO COCc1noc(CCNC(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000095507493 185375555 /nfs/dbraw/zinc/37/55/55/185375555.db2.gz DICLBTKFTXPEPF-UHFFFAOYSA-N 1 0 310.398 0.995 50 0 DCAARO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCCOC3)ccn2)CC1 ZINC000079001463 185144809 /nfs/dbraw/zinc/14/48/09/185144809.db2.gz MRIJJPLUICJVQU-CQSZACIVSA-N 1 0 304.394 0.742 50 0 DCAARO CC[C@@H]1CN([C@H](C)C(=O)Nc2ncccn2)CC[N@@H+]1CCOC ZINC000240707723 529401650 /nfs/dbraw/zinc/40/16/50/529401650.db2.gz HQAZVIGLUDLENK-ZIAGYGMSSA-N 1 0 321.425 0.846 50 0 DCAARO CC(=O)N1CCC(C2CC[NH+]([C@@H]3CC(=O)NC3=O)CC2)CC1 ZINC000096900172 185390576 /nfs/dbraw/zinc/39/05/76/185390576.db2.gz FSFYQQLRTKAODQ-CQSZACIVSA-N 1 0 307.394 0.372 50 0 DCAARO OC[C@H]1CN(c2ccncc2F)C[C@H]1C[NH+]1CCC(O)CC1 ZINC000095388940 185351204 /nfs/dbraw/zinc/35/12/04/185351204.db2.gz VZLAKUXMGDIUDX-CHWSQXEVSA-N 1 0 309.385 0.722 50 0 DCAARO O=C(CO)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072130827 191044512 /nfs/dbraw/zinc/04/45/12/191044512.db2.gz JOWPIOIMQHDWHW-MRXNPFEDSA-N 1 0 321.396 0.931 50 0 DCAARO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(Cn3ccnc3)o2)C1 ZINC000072150284 191055322 /nfs/dbraw/zinc/05/53/22/191055322.db2.gz VLCKKEQLUOESHC-MRXNPFEDSA-N 1 0 318.377 0.663 50 0 DCAARO Cc1c(Cl)c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)nn1C ZINC000072149941 191055552 /nfs/dbraw/zinc/05/55/52/191055552.db2.gz UQPIIUNFJZBGPW-CQSZACIVSA-N 1 0 314.817 0.911 50 0 DCAARO c1cnn(C[C@@H]2CN(Cc3cc4n(n3)CC[NH2+]C4)CCCO2)c1 ZINC000072153273 191057889 /nfs/dbraw/zinc/05/78/89/191057889.db2.gz SAIRLPFGIPYAGY-INIZCTEOSA-N 1 0 316.409 0.474 50 0 DCAARO CN1CCO[C@H](C[NH2+]CC(=O)NCCc2ccc(F)cc2)C1 ZINC000072267988 191090641 /nfs/dbraw/zinc/09/06/41/191090641.db2.gz UMWCHYORWJMFKG-OAHLLOKOSA-N 1 0 309.385 0.405 50 0 DCAARO OC[C@@H]1CCCN1c1cc(N2CC[NH+](CC3CC3)CC2)ncn1 ZINC000072276147 191098647 /nfs/dbraw/zinc/09/86/47/191098647.db2.gz TYVKYKZPNNURFA-HNNXBMFYSA-N 1 0 317.437 0.970 50 0 DCAARO Cn1cc([C@H](O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000253404950 186307909 /nfs/dbraw/zinc/30/79/09/186307909.db2.gz WMMXNLWBPGIQIB-HIFRSBDPSA-N 1 0 322.409 0.024 50 0 DCAARO Cn1nccc1C1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000237677003 282860176 /nfs/dbraw/zinc/86/01/76/282860176.db2.gz CEAZVTRWJPJMMD-AWEZNQCLSA-N 1 0 306.410 0.895 50 0 DCAARO Cc1csc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000081247311 192240128 /nfs/dbraw/zinc/24/01/28/192240128.db2.gz OWUSDSLBRPCUHL-LBPRGKRZSA-N 1 0 324.450 0.520 50 0 DCAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000237266326 202210479 /nfs/dbraw/zinc/21/04/79/202210479.db2.gz FJYRGRWESIHTJP-NSHDSACASA-N 1 0 300.362 0.995 50 0 DCAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000237317739 202227504 /nfs/dbraw/zinc/22/75/04/202227504.db2.gz JQDZORUEDUSBOV-SECBINFHSA-N 1 0 318.830 0.937 50 0 DCAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[NH+](C)C ZINC000006130441 181315538 /nfs/dbraw/zinc/31/55/38/181315538.db2.gz QAJBZZVQWDHJIA-UHFFFAOYSA-N 1 0 318.381 0.245 50 0 DCAARO Cc1ncsc1CCN(C)C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000091416993 193053219 /nfs/dbraw/zinc/05/32/19/193053219.db2.gz GLKFIGRZLUEBLB-UHFFFAOYSA-N 1 0 324.450 0.650 50 0 DCAARO CC(C)[C@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)C[C@@H]1[NH3+] ZINC000091547662 193071494 /nfs/dbraw/zinc/07/14/94/193071494.db2.gz PUSKGINVGURMIJ-CABCVRRESA-N 1 0 318.421 0.974 50 0 DCAARO Nc1ncccc1C[N@@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O ZINC000092004569 193140007 /nfs/dbraw/zinc/14/00/07/193140007.db2.gz HZUDRAKPLWZGQQ-MRXNPFEDSA-N 1 0 304.394 0.471 50 0 DCAARO CCC[C@H]1C[N@H+](CCOC)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000092106891 193160341 /nfs/dbraw/zinc/16/03/41/193160341.db2.gz GHRCKFUYLRLWDC-KBPBESRZSA-N 1 0 311.426 0.472 50 0 DCAARO CN(C)c1nc(NCCCn2ccnn2)cc(C2CC([NH3+])C2)n1 ZINC000220730742 201578835 /nfs/dbraw/zinc/57/88/35/201578835.db2.gz GBHOMKJWOYLWOY-UHFFFAOYSA-N 1 0 316.413 0.841 50 0 DCAARO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000094345671 193363730 /nfs/dbraw/zinc/36/37/30/193363730.db2.gz XXUVFWNNUQGFQY-ZYHUDNBSSA-N 1 0 312.391 0.734 50 0 DCAARO OCCN1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000019360120 182118648 /nfs/dbraw/zinc/11/86/48/182118648.db2.gz PVCYEHFLYKIVMI-OAHLLOKOSA-N 1 0 312.385 0.313 50 0 DCAARO Cc1cccc(CS(=O)(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000020727229 182244606 /nfs/dbraw/zinc/24/46/06/182244606.db2.gz LRMVAEMDHBTMPB-UHFFFAOYSA-N 1 0 311.451 0.662 50 0 DCAARO C[NH2+]Cc1cn(CC2CCN(C(=O)c3ccnn3C)CC2)nn1 ZINC000023506321 182362384 /nfs/dbraw/zinc/36/23/84/182362384.db2.gz DQLJYUSASZWIMU-UHFFFAOYSA-N 1 0 317.397 0.283 50 0 DCAARO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)CN1CCOCC1 ZINC000024840020 182393189 /nfs/dbraw/zinc/39/31/89/182393189.db2.gz QNWZTEXBSMTIEL-AWEZNQCLSA-N 1 0 308.378 0.540 50 0 DCAARO CCc1ccc([C@H](CNC(=O)Cn2cnnn2)[NH+](C)C)cc1 ZINC000041904244 183224769 /nfs/dbraw/zinc/22/47/69/183224769.db2.gz BVULYHADRGTIKA-AWEZNQCLSA-N 1 0 302.382 0.655 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000043822455 183386714 /nfs/dbraw/zinc/38/67/14/183386714.db2.gz TUNPWVFGNOKLCP-OAHLLOKOSA-N 1 0 323.441 0.918 50 0 DCAARO Cn1c(C[N@H+](C)CCOc2ccccc2)cc(=O)n(C)c1=O ZINC000056650066 184017114 /nfs/dbraw/zinc/01/71/14/184017114.db2.gz PLBPPIIGKMHASB-UHFFFAOYSA-N 1 0 303.362 0.595 50 0 DCAARO COc1c(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c(C)nn1C ZINC000058433533 184118469 /nfs/dbraw/zinc/11/84/69/184118469.db2.gz OJIZWHLVOAKVMQ-LLVKDONJSA-N 1 0 316.427 0.251 50 0 DCAARO O=C(C[NH2+]CCN1CCCOC1=O)NCc1ccccc1F ZINC000065387858 184334108 /nfs/dbraw/zinc/33/41/08/184334108.db2.gz UESWEZQQXBLTEQ-UHFFFAOYSA-N 1 0 309.341 0.874 50 0 DCAARO CC[C@@H](CNC(=O)Nc1cnn(CC(N)=O)c1)[NH+]1CCCC1 ZINC000065449102 184346074 /nfs/dbraw/zinc/34/60/74/184346074.db2.gz BJCRZKVBVGCKLK-LBPRGKRZSA-N 1 0 308.386 0.364 50 0 DCAARO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000065491383 184353805 /nfs/dbraw/zinc/35/38/05/184353805.db2.gz PHPDYGXDMHPBBA-LLVKDONJSA-N 1 0 312.395 0.550 50 0 DCAARO C[N@@H+]1CCN2CCN(C(=O)c3cc(Cl)c[nH]c3=O)C[C@@H]2C1 ZINC000065404405 184337733 /nfs/dbraw/zinc/33/77/33/184337733.db2.gz JKZMPDAZLMEBEO-NSHDSACASA-N 1 0 310.785 0.100 50 0 DCAARO COc1cccc([C@@H](CNC(=O)C2=NNC(=O)CC2)[NH+](C)C)c1 ZINC000065608063 184372127 /nfs/dbraw/zinc/37/21/27/184372127.db2.gz ZDGAJCIJEWTUEJ-CQSZACIVSA-N 1 0 318.377 0.680 50 0 DCAARO Nc1cc(NCCC[NH+]2CCC(O)CC2)nc(N2CCCC2)n1 ZINC000065497224 184354714 /nfs/dbraw/zinc/35/47/14/184354714.db2.gz LGJYIDVBGNCAPJ-UHFFFAOYSA-N 1 0 320.441 0.918 50 0 DCAARO COCCN(Cc1cnn(C)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000426628803 257245369 /nfs/dbraw/zinc/24/53/69/257245369.db2.gz RTSRJFZTBRGTAY-ZDUSSCGKSA-N 1 0 309.414 0.530 50 0 DCAARO C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000426640349 257245461 /nfs/dbraw/zinc/24/54/61/257245461.db2.gz FIVKRURJFFGCDJ-LBPRGKRZSA-N 1 0 307.402 0.121 50 0 DCAARO Cn1ccnc1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426566879 257246972 /nfs/dbraw/zinc/24/69/72/257246972.db2.gz LBCYFUQBVMWRHZ-UHFFFAOYSA-N 1 0 300.366 0.847 50 0 DCAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000426495620 257248388 /nfs/dbraw/zinc/24/83/88/257248388.db2.gz MXZXXYFYDMROSY-LLVKDONJSA-N 1 0 308.382 0.524 50 0 DCAARO COc1ccc(NC(=O)N2CCO[C@H](CC[NH3+])C2)cc1C(N)=O ZINC000426478142 257249073 /nfs/dbraw/zinc/24/90/73/257249073.db2.gz ZWRBERLVUZXWSI-LLVKDONJSA-N 1 0 322.365 0.376 50 0 DCAARO Cc1nnc(CNC(=O)N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)[nH]1 ZINC000426434491 257250168 /nfs/dbraw/zinc/25/01/68/257250168.db2.gz QGNSCASLCWDWQM-CYBMUJFWSA-N 1 0 324.429 0.347 50 0 DCAARO C[NH+](C)C[C@H]1COCCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC000426412430 257251882 /nfs/dbraw/zinc/25/18/82/257251882.db2.gz LTQKUTAHYKTJPG-LLVKDONJSA-N 1 0 320.393 0.710 50 0 DCAARO COc1ccc(OC)c([C@@H](O)CN2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000071877153 184881963 /nfs/dbraw/zinc/88/19/63/184881963.db2.gz ZYSORTXSVMNVFV-CJNGLKHVSA-N 1 0 324.421 0.736 50 0 DCAARO COC(=O)C1[C@H](c2c[nH]c3ccccc32)[C@@H](C(=O)OC)O[N+]1=O ZINC000000192321 395679982 /nfs/dbraw/zinc/67/99/82/395679982.db2.gz GGDHLOFDJQLUTD-AAEUAGOBSA-N 1 0 318.285 0.863 50 0 DCAARO COc1ccc(CCNC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000002643577 395681699 /nfs/dbraw/zinc/68/16/99/395681699.db2.gz LUWIPHNURGMMLT-UHFFFAOYSA-N 1 0 319.405 0.551 50 0 DCAARO C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@H]1C[N@H+](C)CCO ZINC000085469928 395701082 /nfs/dbraw/zinc/70/10/82/395701082.db2.gz NPQSRTCSDOQAQD-LSDHHAIUSA-N 1 0 322.405 0.605 50 0 DCAARO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@H]1C(C)C ZINC000033350743 395717157 /nfs/dbraw/zinc/71/71/57/395717157.db2.gz JNCVFDFYSNHOTQ-OLZOCXBDSA-N 1 0 324.425 0.314 50 0 DCAARO CC[NH+]1CCN(CCCNC(=O)c2ccn(C)c(=O)c2)CC1 ZINC000041442058 395737487 /nfs/dbraw/zinc/73/74/87/395737487.db2.gz IGHKYUAYMZNXBA-UHFFFAOYSA-N 1 0 306.410 0.143 50 0 DCAARO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](C)Cc2ccnn2C)C1 ZINC000096009254 395740881 /nfs/dbraw/zinc/74/08/81/395740881.db2.gz LFCDOXOSGOEENP-GXTWGEPZSA-N 1 0 314.455 0.612 50 0 DCAARO CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC000096441636 395753218 /nfs/dbraw/zinc/75/32/18/395753218.db2.gz IKMPWSWMQRTHLM-SNVBAGLBSA-N 1 0 321.343 0.998 50 0 DCAARO CCn1cc(C2CC[NH+](CCC(=O)NC(=O)NC)CC2)cn1 ZINC000097200457 395755686 /nfs/dbraw/zinc/75/56/86/395755686.db2.gz HNLGINQRJXQWIC-UHFFFAOYSA-N 1 0 307.398 0.928 50 0 DCAARO O=C(COCc1ccccc1)N1CC[N@@H+](CCCO)C[C@@H](O)C1 ZINC000097514418 395758844 /nfs/dbraw/zinc/75/88/44/395758844.db2.gz BRDBIDHHQHZPNJ-MRXNPFEDSA-N 1 0 322.405 0.091 50 0 DCAARO C[NH+]1CCC(O)(C(=O)N2CCN(c3cccc(O)c3)CC2)CC1 ZINC000097594892 395759134 /nfs/dbraw/zinc/75/91/34/395759134.db2.gz LUFOALIUUFDUKO-UHFFFAOYSA-N 1 0 319.405 0.498 50 0 DCAARO O=C(CC[NH+]1CCSCC1)N1CCN(c2ncccn2)CC1 ZINC000044950664 395760416 /nfs/dbraw/zinc/76/04/16/395760416.db2.gz XKWNVMMUYKVMCF-UHFFFAOYSA-N 1 0 321.450 0.564 50 0 DCAARO COCc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000097732518 395760483 /nfs/dbraw/zinc/76/04/83/395760483.db2.gz OHDMLIOMAPTXCJ-HNNXBMFYSA-N 1 0 319.405 0.760 50 0 DCAARO Cc1cc(N2CCN(C(=O)C3CCC3)C[C@H](O)C2)nc(N)[nH+]1 ZINC000097743177 395760531 /nfs/dbraw/zinc/76/05/31/395760531.db2.gz WJCFURDZMILEHR-GFCCVEGCSA-N 1 0 305.382 0.177 50 0 DCAARO [NH3+]CCNC(=O)c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000098086534 395762350 /nfs/dbraw/zinc/76/23/50/395762350.db2.gz XXKBRSIXWVYXKI-UHFFFAOYSA-N 1 0 302.338 0.420 50 0 DCAARO C[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[NH+](C)C ZINC000046274658 395775147 /nfs/dbraw/zinc/77/51/47/395775147.db2.gz MFCMOCYUVINAEN-ZDUSSCGKSA-N 1 0 314.389 0.972 50 0 DCAARO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]([NH3+])C3)cc21 ZINC000115959986 395841646 /nfs/dbraw/zinc/84/16/46/395841646.db2.gz ZAKMJEMKMBQPTF-ZDUSSCGKSA-N 1 0 323.418 0.707 50 0 DCAARO CC[N@H+](CC(=O)NC[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(C)C ZINC000110620932 395800682 /nfs/dbraw/zinc/80/06/82/395800682.db2.gz YOONQVIQFPDLQN-OLZOCXBDSA-N 1 0 304.456 0.904 50 0 DCAARO CC(C)Cn1cncc1CNC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055089935 395910686 /nfs/dbraw/zinc/91/06/86/395910686.db2.gz YAHFHEBJFZHLJX-ZDUSSCGKSA-N 1 0 321.425 0.353 50 0 DCAARO CN(CC[NH+](C)C)C(=O)c1ccccc1N1CCC(=O)NC1=O ZINC000055309619 395916595 /nfs/dbraw/zinc/91/65/95/395916595.db2.gz YIZQTNXPZKZRHT-UHFFFAOYSA-N 1 0 318.377 0.767 50 0 DCAARO C[C@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC[NH2+]1 ZINC000237728963 395918084 /nfs/dbraw/zinc/91/80/84/395918084.db2.gz ALGWIMZPEISZHY-NSHDSACASA-N 1 0 308.382 0.061 50 0 DCAARO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc3cnccc32)CCO1 ZINC000225495169 395861630 /nfs/dbraw/zinc/86/16/30/395861630.db2.gz MPYSKNFSJOOQSX-SMDDNHRTSA-N 1 0 321.402 0.972 50 0 DCAARO C[NH2+]CC1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000226732495 395867065 /nfs/dbraw/zinc/86/70/65/395867065.db2.gz KRNXEFJHFMEGLN-NWDGAFQWSA-N 1 0 305.444 0.272 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000226940665 395867070 /nfs/dbraw/zinc/86/70/70/395867070.db2.gz KYNWDASZMVEUST-RDBSUJKOSA-N 1 0 310.781 0.963 50 0 DCAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000229457769 395874525 /nfs/dbraw/zinc/87/45/25/395874525.db2.gz HEPOFEPIAWFAKW-DLBZAZTESA-N 1 0 317.433 0.958 50 0 DCAARO O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000150864459 395973952 /nfs/dbraw/zinc/97/39/52/395973952.db2.gz OQOQGQWZUYNAPB-GJZGRUSLSA-N 1 0 300.362 0.254 50 0 DCAARO CC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000252510645 396022724 /nfs/dbraw/zinc/02/27/24/396022724.db2.gz BAIHMVBMEPJJSR-RYUDHWBXSA-N 1 0 303.428 0.157 50 0 DCAARO CC(=O)NCC1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000252551380 396023216 /nfs/dbraw/zinc/02/32/16/396023216.db2.gz UDLRNNFBJJBNPC-BETUJISGSA-N 1 0 318.425 0.616 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@H](C)[NH2+]1 ZINC000153980038 396028086 /nfs/dbraw/zinc/02/80/86/396028086.db2.gz MSIPXUBWBAFYHE-AOOOYVTPSA-N 1 0 315.395 0.151 50 0 DCAARO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000067643740 396030272 /nfs/dbraw/zinc/03/02/72/396030272.db2.gz RGDCSKACTTYABN-HNNXBMFYSA-N 1 0 311.451 0.742 50 0 DCAARO CS(=O)(=O)NC[C@@H]1CC[N@@H+](C2CSCCSC2)C1 ZINC000067676396 396030886 /nfs/dbraw/zinc/03/08/86/396030886.db2.gz KXDURDYHSMXCKI-JTQLQIEISA-N 1 0 310.510 0.706 50 0 DCAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2Cn2cccn2)C[C@H](C)O1 ZINC000253604624 396031602 /nfs/dbraw/zinc/03/16/02/396031602.db2.gz ZQUQDFXKUSWTAW-ZNMIVQPWSA-N 1 0 306.410 0.983 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C)[nH]c1=O ZINC000067713508 396031799 /nfs/dbraw/zinc/03/17/99/396031799.db2.gz FYOQAEJYZPOWCQ-AAEUAGOBSA-N 1 0 320.393 0.094 50 0 DCAARO C[C@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)Oc1cccnc1 ZINC000067756651 396033123 /nfs/dbraw/zinc/03/31/23/396033123.db2.gz SDJBFUBRFUKYJE-GFCCVEGCSA-N 1 0 313.423 0.863 50 0 DCAARO O=C(c1cc(CN2CCOCC2)on1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000067774319 396033361 /nfs/dbraw/zinc/03/33/61/396033361.db2.gz CTHZYIXSVONXSF-ZDUSSCGKSA-N 1 0 320.393 0.427 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1nc2cc(C)ccc2[nH]1 ZINC000067847309 396035958 /nfs/dbraw/zinc/03/59/58/396035958.db2.gz XIJSRVXAHCVUSK-MFKMUULPSA-N 1 0 315.377 0.549 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)CC1 ZINC000257365901 396046631 /nfs/dbraw/zinc/04/66/31/396046631.db2.gz BFMDOGMBRFWSQA-GDBMZVCRSA-N 1 0 322.453 0.093 50 0 DCAARO Cc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000069700969 396086749 /nfs/dbraw/zinc/08/67/49/396086749.db2.gz WSLYLGAYAQFSMF-OAHLLOKOSA-N 1 0 316.405 0.944 50 0 DCAARO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000069743480 396089767 /nfs/dbraw/zinc/08/97/67/396089767.db2.gz VHHTXDLDYANZRD-CZUORRHYSA-N 1 0 323.412 0.793 50 0 DCAARO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)NCCc1cccs1 ZINC000069814196 396090961 /nfs/dbraw/zinc/09/09/61/396090961.db2.gz BFSVCCXZCDEUKR-QWHCGFSZSA-N 1 0 311.451 0.716 50 0 DCAARO O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)NCc1ccccn1 ZINC000069818569 396091084 /nfs/dbraw/zinc/09/10/84/396091084.db2.gz WTYDAHLETOZYPZ-CQSZACIVSA-N 1 0 314.393 0.702 50 0 DCAARO O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)NCc1ccccn1 ZINC000069818566 396091261 /nfs/dbraw/zinc/09/12/61/396091261.db2.gz WTYDAHLETOZYPZ-AWEZNQCLSA-N 1 0 314.393 0.702 50 0 DCAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)c1 ZINC000069950462 396096467 /nfs/dbraw/zinc/09/64/67/396096467.db2.gz WIKZCLBNBZWWCH-JKSUJKDBSA-N 1 0 308.426 0.349 50 0 DCAARO Cc1cc(C)n2nc(CC(=O)N3CCC([NH+](C)C)CC3)nc2n1 ZINC000071828417 396117322 /nfs/dbraw/zinc/11/73/22/396117322.db2.gz XDUHZAVMUCZTTE-UHFFFAOYSA-N 1 0 316.409 0.836 50 0 DCAARO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)Cn2cc(C)cn2)C1 ZINC000072253198 396126823 /nfs/dbraw/zinc/12/68/23/396126823.db2.gz ATXKMJPBKGQIAD-UKRRQHHQSA-N 1 0 321.425 0.297 50 0 DCAARO CC[NH+]1CCC(NC(=O)CN2CCn3c(C)nnc3C2)CC1 ZINC000069538467 396082582 /nfs/dbraw/zinc/08/25/82/396082582.db2.gz ZXHPWSXVJOKCQC-UHFFFAOYSA-N 1 0 306.414 0.003 50 0 DCAARO CC[NH2+]CC1CCN(C(=O)c2c(OC)ncnc2OC)CC1 ZINC000178281895 396192569 /nfs/dbraw/zinc/19/25/69/396192569.db2.gz JXDJUCIKGHCEFI-UHFFFAOYSA-N 1 0 308.382 0.956 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3noc(C)n3)C[C@H]2C)CC1 ZINC000078896271 396256953 /nfs/dbraw/zinc/25/69/53/396256953.db2.gz HXURRSCERMCRLT-IUODEOHRSA-N 1 0 321.425 0.753 50 0 DCAARO O[C@]1(C[NH2+]CCOCc2ccc(Cl)cc2)CNCCOC1 ZINC000077319354 396218099 /nfs/dbraw/zinc/21/80/99/396218099.db2.gz VCNJUUDEOKNOEY-OAHLLOKOSA-N 1 0 314.813 0.797 50 0 DCAARO O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000077470961 396223318 /nfs/dbraw/zinc/22/33/18/396223318.db2.gz PAASIMUDYVYXEC-CHWSQXEVSA-N 1 0 316.361 0.508 50 0 DCAARO [NH3+]CCn1cc(C(=O)NCc2ccccc2-n2cccn2)nn1 ZINC000077553838 396225629 /nfs/dbraw/zinc/22/56/29/396225629.db2.gz GIQDECYZYZUMMJ-UHFFFAOYSA-N 1 0 311.349 0.353 50 0 DCAARO COc1cccc2c(=O)n(C[C@@H](O)C[NH+]3CCCC3)cnc12 ZINC000584890976 396634206 /nfs/dbraw/zinc/63/42/06/396634206.db2.gz DHXPTOLFYHJINW-LBPRGKRZSA-N 1 0 303.362 0.862 50 0 DCAARO O=C(CCN1CCCCC1=O)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000584894112 396635065 /nfs/dbraw/zinc/63/50/65/396635065.db2.gz AXHVQNGUJKSAHT-KBPBESRZSA-N 1 0 309.410 0.057 50 0 DCAARO C[C@H](NC(=O)C1CC[NH+](C2CCOCC2)CC1)c1nncn1C ZINC000584899351 396636514 /nfs/dbraw/zinc/63/65/14/396636514.db2.gz GSVVFIQNWZSANF-LBPRGKRZSA-N 1 0 321.425 0.883 50 0 DCAARO CN(CC(=O)NCc1ccc2[nH]cnc2c1)C1CC[NH2+]CC1 ZINC000584899559 396636607 /nfs/dbraw/zinc/63/66/07/396636607.db2.gz TZEKDLJJPBPPQP-UHFFFAOYSA-N 1 0 301.394 0.863 50 0 DCAARO CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000255847450 287127085 /nfs/dbraw/zinc/12/70/85/287127085.db2.gz PIBDXYHHFGSPKM-DFPOMNKCSA-N 1 0 302.378 0.663 50 0 DCAARO O=S(=O)(c1ccc(N2CC[NH2+]CC2)cc1)N1CCOCC1 ZINC000004245556 415127548 /nfs/dbraw/zinc/12/75/48/415127548.db2.gz GIVZANZYLOOCBE-UHFFFAOYSA-N 1 0 311.407 0.117 50 0 DCAARO CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCCCC1 ZINC000027284862 415170223 /nfs/dbraw/zinc/17/02/23/415170223.db2.gz XFCKGKFXWMHDLJ-UHFFFAOYSA-N 1 0 322.409 0.504 50 0 DCAARO C[C@@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)[NH+]1CCCC1 ZINC000042509354 415211295 /nfs/dbraw/zinc/21/12/95/415211295.db2.gz VRERJUWBUUVGIY-QWHCGFSZSA-N 1 0 317.455 0.401 50 0 DCAARO CNC(=O)c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC000044907894 415233074 /nfs/dbraw/zinc/23/30/74/415233074.db2.gz ZFBHULSQNNDFRS-AWEZNQCLSA-N 1 0 304.394 0.742 50 0 DCAARO CCC[N@H+](CCO)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000046342895 415258623 /nfs/dbraw/zinc/25/86/23/415258623.db2.gz ZGNBFMCYCZXTPI-AWEZNQCLSA-N 1 0 311.378 0.997 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)CCNC(=O)[C@H]2C[C@H]2C)CC1 ZINC000048428898 415290078 /nfs/dbraw/zinc/29/00/78/415290078.db2.gz VTWHYZIEUHASAB-KGLIPLIRSA-N 1 0 311.426 0.329 50 0 DCAARO C[N@@H+]1CCC[C@H](C(=O)NCc2cc(N3CCOCC3)ncn2)C1 ZINC000072436099 415413806 /nfs/dbraw/zinc/41/38/06/415413806.db2.gz VAVKTVUIWUHARI-ZDUSSCGKSA-N 1 0 319.409 0.271 50 0 DCAARO CN(C)S(=O)(=O)CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000067458723 415374781 /nfs/dbraw/zinc/37/47/81/415374781.db2.gz JQRNKXLSXJMEQU-LBPRGKRZSA-N 1 0 305.444 0.292 50 0 DCAARO COc1ncccc1C(=O)N1C[C@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067677031 415379872 /nfs/dbraw/zinc/37/98/72/415379872.db2.gz MAJSLXTVFDMZDG-PWSUYJOCSA-N 1 0 306.366 0.157 50 0 DCAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)N2CCCC2)C1 ZINC000091694871 415539777 /nfs/dbraw/zinc/53/97/77/415539777.db2.gz QSRYXORXPDBQKX-CABCVRRESA-N 1 0 313.442 0.711 50 0 DCAARO OCCN1CC[NH+](C2CCN(Cc3cccnc3)CC2)CC1 ZINC000095346065 415547079 /nfs/dbraw/zinc/54/70/79/415547079.db2.gz GSRMXRQHFDQNRS-UHFFFAOYSA-N 1 0 304.438 0.656 50 0 DCAARO Cc1ccnc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000095361324 415553319 /nfs/dbraw/zinc/55/33/19/415553319.db2.gz GWMRSWYBCTXEDN-CYBMUJFWSA-N 1 0 304.394 0.416 50 0 DCAARO CC[NH+]1CCN(C[C@@H]2CN(c3nccs3)C[C@@H]2CO)CC1 ZINC000095361919 415554116 /nfs/dbraw/zinc/55/41/16/415554116.db2.gz ZFBIUSDVPPEXRB-ZIAGYGMSSA-N 1 0 310.467 0.825 50 0 DCAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1nonc1C)C2 ZINC000095368420 415555691 /nfs/dbraw/zinc/55/56/91/415555691.db2.gz NCTCPUAKGWDPME-CHWSQXEVSA-N 1 0 308.382 0.490 50 0 DCAARO OC[C@H]1CN(c2ccccn2)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000095373788 415559615 /nfs/dbraw/zinc/55/96/15/415559615.db2.gz GTKUOLHTPJXIIZ-HZPDHXFCSA-N 1 0 305.422 0.831 50 0 DCAARO C[S@@](=O)c1ncn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000095438963 415559888 /nfs/dbraw/zinc/55/98/88/415559888.db2.gz PJNMZXWRXJMYEX-FPTDNZKUSA-N 1 0 320.418 0.435 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)c1cnccn1 ZINC000095477065 415563621 /nfs/dbraw/zinc/56/36/21/415563621.db2.gz YWOUZXJYGSERJM-GFCCVEGCSA-N 1 0 305.382 0.197 50 0 DCAARO Cn1cccc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O ZINC000097080707 415581757 /nfs/dbraw/zinc/58/17/57/415581757.db2.gz KMZGIKARXOUKDI-INIZCTEOSA-N 1 0 320.437 0.438 50 0 DCAARO COc1ncnc(N)c1C[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000097036884 415582259 /nfs/dbraw/zinc/58/22/59/415582259.db2.gz DOALLFUIRVRNDB-JTQLQIEISA-N 1 0 318.356 0.970 50 0 DCAARO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](C)Cc2ccnn2C)C1 ZINC000108178645 415674955 /nfs/dbraw/zinc/67/49/55/415674955.db2.gz LFCDOXOSGOEENP-OCCSQVGLSA-N 1 0 314.455 0.612 50 0 DCAARO Cc1nc(CN2CCC[N@H+](C[C@@H](O)Cn3cccn3)CC2)no1 ZINC000106869370 415651874 /nfs/dbraw/zinc/65/18/74/415651874.db2.gz GCIWCJOLLGIFHA-CQSZACIVSA-N 1 0 320.397 0.143 50 0 DCAARO Cc1n[nH]nc1C(=O)N1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000299777397 416068221 /nfs/dbraw/zinc/06/82/21/416068221.db2.gz JWKQPYBGKLWKIW-GFCCVEGCSA-N 1 0 307.398 0.686 50 0 DCAARO C[NH2+]C[C@@H]1CCCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000159086647 416006828 /nfs/dbraw/zinc/00/68/28/416006828.db2.gz WZLBDVVTJOKUGR-LBPRGKRZSA-N 1 0 302.378 0.788 50 0 DCAARO COc1ccnc(N2CCC(C(=O)N3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000179180126 416183380 /nfs/dbraw/zinc/18/33/80/416183380.db2.gz LQURVBCLMAFNEM-GFCCVEGCSA-N 1 0 319.409 0.522 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCCCO2)CC1=O ZINC000189543768 416266455 /nfs/dbraw/zinc/26/64/55/416266455.db2.gz GFTQCWCADGIKDP-KGLIPLIRSA-N 1 0 309.410 0.873 50 0 DCAARO COc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)cc1O ZINC000216198186 416327496 /nfs/dbraw/zinc/32/74/96/416327496.db2.gz VKCMBTCPMJFBCG-CQSZACIVSA-N 1 0 319.405 0.863 50 0 DCAARO Cc1cncnc1C1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000216166080 416327595 /nfs/dbraw/zinc/32/75/95/416327595.db2.gz ADPXGRCVJUCSEP-HNNXBMFYSA-N 1 0 318.421 0.948 50 0 DCAARO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000225533326 416327778 /nfs/dbraw/zinc/32/77/78/416327778.db2.gz DWMPVCWBPDJXJF-RTXFEEFZSA-N 1 0 301.770 0.426 50 0 DCAARO C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC1)c1nnnn1C1CC1 ZINC000240471653 416330103 /nfs/dbraw/zinc/33/01/03/416330103.db2.gz GDMFLMGPVJFVPE-JTQLQIEISA-N 1 0 307.402 0.805 50 0 DCAARO O=C(CN1CCC[C@@H](O)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245237745 416331133 /nfs/dbraw/zinc/33/11/33/416331133.db2.gz UPDHAVJZLGTVOX-DLBZAZTESA-N 1 0 317.433 0.834 50 0 DCAARO Cc1ccc(C(=O)N[C@@H](C)c2nc(N)n[nH]2)cc1OCC[NH3+] ZINC000426510336 416772874 /nfs/dbraw/zinc/77/28/74/416772874.db2.gz PAGBYKKEOXTWJZ-VIFPVBQESA-N 1 0 304.354 0.524 50 0 DCAARO CC[N@H+](C)[C@@H](C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000229814372 276308970 /nfs/dbraw/zinc/30/89/70/276308970.db2.gz OPJFROGJMOZCGY-ZIAGYGMSSA-N 1 0 305.378 0.392 50 0 DCAARO CCO[C@H]1COC[C@@H]1n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072470013 276487219 /nfs/dbraw/zinc/48/72/19/276487219.db2.gz BPIIDTIZGNAVBM-KBPBESRZSA-N 1 0 303.366 0.826 50 0 DCAARO COC(=O)NCC(=O)N(C)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000082157611 277335471 /nfs/dbraw/zinc/33/54/71/277335471.db2.gz QVJZBIRHGMRENT-CQSZACIVSA-N 1 0 305.378 0.858 50 0 DCAARO C[C@H]1CCCN(S(=O)(=O)c2cn(C)c(Cl)n2)[C@@H]1C[NH3+] ZINC000237510437 279671953 /nfs/dbraw/zinc/67/19/53/279671953.db2.gz UGXAYAPBFPXFKH-DTWKUNHWSA-N 1 0 306.819 0.821 50 0 DCAARO C[C@H](C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1)N1CCCC1=O ZINC000067833463 289284389 /nfs/dbraw/zinc/28/43/89/289284389.db2.gz OKEQKLVQQRMNGM-CQSZACIVSA-N 1 0 322.453 0.236 50 0 DCAARO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000237538810 300418838 /nfs/dbraw/zinc/41/88/38/300418838.db2.gz CDKVATVZBWMIKP-JQWIXIFHSA-N 1 0 323.418 0.473 50 0 DCAARO O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000534577616 334288064 /nfs/dbraw/zinc/28/80/64/334288064.db2.gz NJJDEKWEZBERNL-GFCCVEGCSA-N 1 0 315.439 0.206 50 0 DCAARO NC(=O)c1csc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000534633660 334308332 /nfs/dbraw/zinc/30/83/32/334308332.db2.gz JABJZMXDGUPYBL-QMMMGPOBSA-N 1 0 303.409 0.125 50 0 DCAARO O=S(=O)(NC[C@]1(O)CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000534640188 334311114 /nfs/dbraw/zinc/31/11/14/334311114.db2.gz FYLVQAVFFORLNS-JTQLQIEISA-N 1 0 310.828 0.794 50 0 DCAARO CN(Cc1nc(-c2ccncc2)no1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000534661268 334322139 /nfs/dbraw/zinc/32/21/39/334322139.db2.gz JLEXPSJCVOZQSC-LBPRGKRZSA-N 1 0 317.349 0.469 50 0 DCAARO O=S1(=O)CCN(C2CC[NH+](C[C@H]3CCCCO3)CC2)CC1 ZINC000097094661 337382028 /nfs/dbraw/zinc/38/20/28/337382028.db2.gz QRWVOEWJIYDYCY-OAHLLOKOSA-N 1 0 316.467 0.750 50 0 DCAARO Cn1c2ccccc2cc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c1=O ZINC000216012950 545938897 /nfs/dbraw/zinc/93/88/97/545938897.db2.gz ZEVUEQYDXZLYAX-HOTGVXAUSA-N 1 0 301.390 0.645 50 0 DCAARO Cc1nc(CCN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)no1 ZINC000222718121 545943066 /nfs/dbraw/zinc/94/30/66/545943066.db2.gz SUBAJRQSDVODSZ-UHFFFAOYSA-N 1 0 303.370 0.634 50 0 DCAARO CCOC(=O)N1CCC([N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)CC1 ZINC000670448041 547094299 /nfs/dbraw/zinc/09/42/99/547094299.db2.gz WQEXERXCVJAXJN-NEBZKDRISA-N 1 0 312.410 0.671 50 0 DCAARO C[C@@H](C(=O)N1CCC(CO)(C[NH+](C)C)CC1)N1CCCC1=O ZINC000670451070 547096295 /nfs/dbraw/zinc/09/62/95/547096295.db2.gz QJUHBKVYPNAWOR-ZDUSSCGKSA-N 1 0 311.426 0.160 50 0 DCAARO CCN(CC)C(=O)Cn1nc(C[C@H]2CCCC[C@H]2[NH3+])n(C)c1=O ZINC000685942366 548748241 /nfs/dbraw/zinc/74/82/41/548748241.db2.gz JRPODMATISXVNC-CHWSQXEVSA-N 1 0 323.441 0.510 50 0 DCAARO Cn1cnc(C(=O)N2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)c1 ZINC000299760522 659641309 /nfs/dbraw/zinc/64/13/09/659641309.db2.gz VLQGIWBTVIZDSD-CYBMUJFWSA-N 1 0 306.410 0.729 50 0 DCAARO C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1)n1ccnc1 ZINC000426409468 661579685 /nfs/dbraw/zinc/57/96/85/661579685.db2.gz RPDWQMZIAJXXRW-AWEZNQCLSA-N 1 0 306.410 0.893 50 0 DCAARO Cc1ncn(C)c1C(=O)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000299771195 662678809 /nfs/dbraw/zinc/67/88/09/662678809.db2.gz UCYQOHQKERSPQG-UHFFFAOYSA-N 1 0 307.398 0.046 50 0 DCAARO NC(=O)CCn1cc(CN2CCO[C@@H](C[NH3+])C2)c2ccccc21 ZINC000067691403 662841441 /nfs/dbraw/zinc/84/14/41/662841441.db2.gz IYWAVKOPRYYLMY-AWEZNQCLSA-N 1 0 316.405 0.676 50 0 DCAARO CCc1nc(S(=O)(=O)N(C)C[C@]2(C)CC[N@H+](C)C2)c[nH]1 ZINC000952975901 685600439 /nfs/dbraw/zinc/60/04/39/685600439.db2.gz XZYZEUXZCGHDQG-CYBMUJFWSA-N 1 0 300.428 0.934 50 0 DCAARO COCCN1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])CCC1=O ZINC000952979495 685600575 /nfs/dbraw/zinc/60/05/75/685600575.db2.gz TYKAAZKSWIWCPE-SFDCQRBFSA-N 1 0 309.410 0.067 50 0 DCAARO Cn1nccc1C[NH+]1CCC(CNC(=O)[C@H]2CCOC2)CC1 ZINC000952977671 685600682 /nfs/dbraw/zinc/60/06/82/685600682.db2.gz OOHTYNVDEHWQTK-AWEZNQCLSA-N 1 0 306.410 0.785 50 0 DCAARO O=C(C[NH+]1CCC(CNC(=O)[C@H]2CCOC2)CC1)NC1CC1 ZINC000952981332 685600827 /nfs/dbraw/zinc/60/08/27/685600827.db2.gz VCSJUTQICVDUFA-ZDUSSCGKSA-N 1 0 309.410 0.130 50 0 DCAARO COC[C@@H](Nc1ncnc2c1CC[NH2+]CC2)c1ccnn1C ZINC000072436590 685074872 /nfs/dbraw/zinc/07/48/72/685074872.db2.gz CVFXGNKDMORNQI-CYBMUJFWSA-N 1 0 302.382 0.698 50 0 DCAARO CSCC(=O)N[C@H]1C[N@@H+](C(CO)CO)C[C@@H]1c1ccccc1 ZINC000091425697 685104481 /nfs/dbraw/zinc/10/44/81/685104481.db2.gz DAEHWSWZEUEEER-CABCVRRESA-N 1 0 324.446 0.287 50 0 DCAARO O=C([C@@H]1CCC(=O)N1)N1CCC[N@H+](CCCn2cccc2)CC1 ZINC001772703353 1157843015 /nfs/dbraw/zinc/84/30/15/1157843015.db2.gz FOEKCLMQPCGLTO-HNNXBMFYSA-N 1 0 318.421 0.691 50 0 DCAARO C[C@H]1C(=O)N2CCC[C@H]2CN1C(=O)[C@H]([NH3+])Cc1ccncc1 ZINC001772712393 1157847806 /nfs/dbraw/zinc/84/78/06/1157847806.db2.gz LZXVDOKJQQLYET-FPMFFAJLSA-N 1 0 302.378 0.173 50 0 DCAARO CCSCC(=O)N[C@@]1(C)CC2(CC[NH2+]CC2)OC[C@@H]1O ZINC001704302112 1179966891 /nfs/dbraw/zinc/96/68/91/1179966891.db2.gz CRPMTOVUGAMKAK-AAEUAGOBSA-N 1 0 302.440 0.518 50 0 DCAARO COCCn1ccnc1C[N@H+](C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704300593 1179967002 /nfs/dbraw/zinc/96/70/02/1179967002.db2.gz XQAZXOUYASGEOH-HZSPNIEDSA-N 1 0 306.410 0.876 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1ccc3c(c1)OCO3)C2 ZINC001704309289 1179969820 /nfs/dbraw/zinc/96/98/20/1179969820.db2.gz MVPFEWQILDWFOK-KBPBESRZSA-N 1 0 318.373 0.747 50 0 DCAARO Cc1nn(C)c(C)c1CCC(=O)N1C[C@H]2COC[C@@H]1C[N@H+](C)C2 ZINC001704324905 1179974211 /nfs/dbraw/zinc/97/42/11/1179974211.db2.gz FESSNDKMMQBXEB-GJZGRUSLSA-N 1 0 320.437 0.759 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1ccc(CO)cc1)C2 ZINC001704330827 1179974737 /nfs/dbraw/zinc/97/47/37/1179974737.db2.gz GWQHBTLCYYIEFZ-HOTGVXAUSA-N 1 0 304.390 0.510 50 0 DCAARO Cc1[nH+]c(N(C)C)nc(N2C[C@@H]3COC[C@H](C2)N(C)C3=O)c1C ZINC001704336329 1179978250 /nfs/dbraw/zinc/97/82/50/1179978250.db2.gz GDDNUUAXEDFRLG-OLZOCXBDSA-N 1 0 319.409 0.453 50 0 DCAARO [NH3+][C@H]1CC[C@@H](NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1 ZINC001704351111 1179983212 /nfs/dbraw/zinc/98/32/12/1179983212.db2.gz TYMVCANFLTUWOU-CLWVCHIJSA-N 1 0 317.389 0.629 50 0 DCAARO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C(N)=O)cs2)C1 ZINC000823770607 758266160 /nfs/dbraw/zinc/26/61/60/758266160.db2.gz JNUQARUJVZPVMD-SECBINFHSA-N 1 0 317.436 0.467 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)N2CCC(Cn3ccnc3)CC2)CC1 ZINC000823778344 758266455 /nfs/dbraw/zinc/26/64/55/758266455.db2.gz GTIXBVNKHDTNAO-UHFFFAOYSA-N 1 0 319.453 0.759 50 0 DCAARO O=C(C1CCCC1)N1CCC2(C[C@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000581811473 760253957 /nfs/dbraw/zinc/25/39/57/760253957.db2.gz FIEFYHDQFSBPRN-AWEZNQCLSA-N 1 0 305.422 0.990 50 0 DCAARO O=C(c1ccc(CO)o1)N1CCC2(CC[NH2+]C[C@@H]2CO)CC1 ZINC000219648094 766274474 /nfs/dbraw/zinc/27/44/74/766274474.db2.gz OIGTVSURKVLHAS-GFCCVEGCSA-N 1 0 308.378 0.596 50 0 DCAARO CN1CCN(C(=O)N2CCN(C(=O)Cc3ccoc3)CC2)CC1 ZINC000585130255 766291845 /nfs/dbraw/zinc/29/18/45/766291845.db2.gz LFWJOXFNCZCIDQ-UHFFFAOYSA-N 1 0 320.393 0.334 50 0 DCAARO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)c1ccc(O)cc1 ZINC000952874091 768936854 /nfs/dbraw/zinc/93/68/54/768936854.db2.gz URZDJKJLFSHFHA-DGCLKSJQSA-N 1 0 305.378 0.767 50 0 DCAARO C[C@H](NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)c1ccc(O)cc1 ZINC000952874092 768937097 /nfs/dbraw/zinc/93/70/97/768937097.db2.gz URZDJKJLFSHFHA-WCQYABFASA-N 1 0 305.378 0.767 50 0 DCAARO O=C(C[NH+]1CCCCCC1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529119496 1014499169 /nfs/dbraw/zinc/49/91/69/1014499169.db2.gz XHPRDMNTXWDQKQ-GDBMZVCRSA-N 1 0 318.421 0.714 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)CN2CCCCC2=O)C1 ZINC001506423527 1017265858 /nfs/dbraw/zinc/26/58/58/1017265858.db2.gz IVVHELDNSJSIJJ-AWEZNQCLSA-N 1 0 311.426 0.426 50 0 DCAARO Cc1nnnn1CCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095506386 185375540 /nfs/dbraw/zinc/37/55/40/185375540.db2.gz KXVCJKKIUTXSAE-HUUCEWRRSA-N 1 0 318.425 0.704 50 0 DCAARO Cc1cc(C)n(CC(=O)N2CCCC[C@H]([NH+](C)C)C2)c(=O)n1 ZINC000082096700 192355736 /nfs/dbraw/zinc/35/57/36/192355736.db2.gz OHOZZQPSUUEGGU-AWEZNQCLSA-N 1 0 306.410 0.803 50 0 DCAARO Cn1cc(CCC(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)cn1 ZINC000069966594 190843211 /nfs/dbraw/zinc/84/32/11/190843211.db2.gz JZTBGCYLVDYWKE-OAHLLOKOSA-N 1 0 322.453 0.904 50 0 DCAARO Cc1nc(N2CCCCC2)ncc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000071681462 191007292 /nfs/dbraw/zinc/00/72/92/191007292.db2.gz JNHQFPFYJMBGCD-ZDUSSCGKSA-N 1 0 319.409 0.575 50 0 DCAARO O=C(CCCn1cncn1)N1CC[C@H]2[NH2+]CCC[C@]2(CO)C1 ZINC000072157665 191060245 /nfs/dbraw/zinc/06/02/45/191060245.db2.gz WYAPDWGCCGXEAS-UKRRQHHQSA-N 1 0 307.398 0.021 50 0 DCAARO Cc1noc2nc(C)cc(C(=O)N3CC[C@](O)(C[NH+](C)C)C3)c12 ZINC000072174290 191071149 /nfs/dbraw/zinc/07/11/49/191071149.db2.gz LTWNNCNDBSSVKT-INIZCTEOSA-N 1 0 318.377 0.978 50 0 DCAARO COc1ccccc1CCNC(=O)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000072267980 191090585 /nfs/dbraw/zinc/09/05/85/191090585.db2.gz OQGXTEZRWVXLPA-OAHLLOKOSA-N 1 0 321.421 0.274 50 0 DCAARO O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000072277735 191098399 /nfs/dbraw/zinc/09/83/99/191098399.db2.gz ZDNLAUWNDSLFMC-GFCCVEGCSA-N 1 0 324.402 0.927 50 0 DCAARO COCC[C@@H](CO)NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000225585058 186280367 /nfs/dbraw/zinc/28/03/67/186280367.db2.gz YFQDUVWOVLNMGY-STQMWFEESA-N 1 0 301.431 0.803 50 0 DCAARO CCCNC(=O)Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072429713 191163211 /nfs/dbraw/zinc/16/32/11/191163211.db2.gz NLMQAWKYNQSRRU-UHFFFAOYSA-N 1 0 302.382 0.766 50 0 DCAARO CC(C)[NH2+]C[C@H](O)C(=O)N[C@H](C)[C@@H]1COc2ccccc2O1 ZINC000004024392 181063713 /nfs/dbraw/zinc/06/37/13/181063713.db2.gz NOLYDRWVAQOLDK-XUJVJEKNSA-N 1 0 308.378 0.690 50 0 biogenic DCAARO O=C(C[N@@H+]1CCCC[C@@H]1CCn1cccn1)N1CCOCC1 ZINC000077337241 191695431 /nfs/dbraw/zinc/69/54/31/191695431.db2.gz WBISYWOQPQNTIC-OAHLLOKOSA-N 1 0 306.410 0.987 50 0 DCAARO CN(C)c1nccc(N2CCN(C(=O)[C@H]3CCC[C@H]3[NH3+])CC2)n1 ZINC000237170878 202175492 /nfs/dbraw/zinc/17/54/92/202175492.db2.gz MRBUZFCGQUAISU-QWHCGFSZSA-N 1 0 318.425 0.319 50 0 DCAARO CC[NH+](CC)CCn1c(C)cn2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000005895001 181293818 /nfs/dbraw/zinc/29/38/18/181293818.db2.gz QNFRUCAQKGFXNO-UHFFFAOYSA-N 1 0 318.381 0.326 50 0 DCAARO CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2O)c1 ZINC000426668206 240354271 /nfs/dbraw/zinc/35/42/71/240354271.db2.gz CLJPSJVENGIUIU-ZIAGYGMSSA-N 1 0 306.366 0.514 50 0 DCAARO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000237616723 202305587 /nfs/dbraw/zinc/30/55/87/202305587.db2.gz GHGOWHPZLZRGHW-SNVBAGLBSA-N 1 0 318.420 0.120 50 0 DCAARO O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CC[NH2+]CC1 ZINC000237839399 202367106 /nfs/dbraw/zinc/36/71/06/202367106.db2.gz CVZJLMVMWDGZQC-SNVBAGLBSA-N 1 0 309.316 0.750 50 0 DCAARO Nc1ccc(C(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cn1 ZINC000244724093 202491602 /nfs/dbraw/zinc/49/16/02/202491602.db2.gz MNJJXOYVQDCWGA-YDHLFZDLSA-N 1 0 304.394 0.533 50 0 DCAARO CN(CCCc1cnn(C)c1)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000091289456 193030996 /nfs/dbraw/zinc/03/09/96/193030996.db2.gz IFMGLFSTGHCHPD-AWEZNQCLSA-N 1 0 321.425 0.008 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncccc1C(=O)NC ZINC000091460017 193059109 /nfs/dbraw/zinc/05/91/09/193059109.db2.gz ZABPRSHWBRNWIN-YPMHNXCESA-N 1 0 319.409 0.216 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(Cc2cn(C)nc2C)C[C@@H]1CO ZINC000091412222 193053439 /nfs/dbraw/zinc/05/34/39/193053439.db2.gz LVAZIHPJPZGTBU-HZPDHXFCSA-N 1 0 310.442 0.347 50 0 DCAARO CN1CC[NH+]([C@H]2CCN(Cc3ncc[nH]3)C[C@H]2CCCO)CC1 ZINC000091439914 193055765 /nfs/dbraw/zinc/05/57/65/193055765.db2.gz AQAFYFXVFKNXGL-CVEARBPZSA-N 1 0 321.469 0.620 50 0 DCAARO Cc1nn(C)cc1C[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000091548147 193071740 /nfs/dbraw/zinc/07/17/40/193071740.db2.gz QHWPZFHRAQFFRK-UHFFFAOYSA-N 1 0 320.437 0.925 50 0 DCAARO Cc1nc(C)c(C)c(N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)n1 ZINC000091657025 193085583 /nfs/dbraw/zinc/08/55/83/193085583.db2.gz MTIQFDGMRLUDEC-HUUCEWRRSA-N 1 0 308.426 0.371 50 0 DCAARO COCC1(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)CC1 ZINC000091636988 193082341 /nfs/dbraw/zinc/08/23/41/193082341.db2.gz FFSPPXUXIIBFRW-MRXNPFEDSA-N 1 0 309.410 0.226 50 0 DCAARO Cn1nnnc1SCCNc1nc(N)[nH+]c2c1CCCC2 ZINC000091829169 193113150 /nfs/dbraw/zinc/11/31/50/193113150.db2.gz HYFNLFARSKKNGZ-UHFFFAOYSA-N 1 0 306.399 0.665 50 0 DCAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)nc(C)n1 ZINC000091872529 193120793 /nfs/dbraw/zinc/12/07/93/193120793.db2.gz FTORHBMCORUJLZ-HUUCEWRRSA-N 1 0 318.421 0.870 50 0 DCAARO C[NH+]1CCN(Cc2ccc(N3CC[C@](C)(O)[C@@H](O)C3)nc2)CC1 ZINC000096153216 193554359 /nfs/dbraw/zinc/55/43/59/193554359.db2.gz RSGXSNZAZURFQT-RDJZCZTQSA-N 1 0 320.437 0.151 50 0 DCAARO COc1ccc(NC(=O)CC[NH+]2CCN(CCO)CC2)cc1 ZINC000019809203 182152675 /nfs/dbraw/zinc/15/26/75/182152675.db2.gz KUNBGBDPHLASLW-UHFFFAOYSA-N 1 0 307.394 0.634 50 0 DCAARO CC[NH+](CC)CCNC(=O)c1c(O)nc2ccccn2c1=O ZINC000020356065 182211153 /nfs/dbraw/zinc/21/11/53/182211153.db2.gz ACDAUAQITFVHBR-UHFFFAOYSA-N 1 0 304.350 0.472 50 0 DCAARO O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000097681745 193747422 /nfs/dbraw/zinc/74/74/22/193747422.db2.gz IFEGOTLJSYDQGV-MWLCHTKSSA-N 1 0 304.268 0.924 50 0 DCAARO COc1ccc2oc(=O)cc(CN3CC[NH+](CCO)CC3)c2c1 ZINC000020446857 182217989 /nfs/dbraw/zinc/21/79/89/182217989.db2.gz MQCPMPGVLRDTED-UHFFFAOYSA-N 1 0 318.373 0.912 50 0 DCAARO COc1ccc(COC[C@@H](O)C[NH+]2CCN(C)CC2)cc1OC ZINC000022045072 182306539 /nfs/dbraw/zinc/30/65/39/182306539.db2.gz WHCSJHCMHYJIIZ-HNNXBMFYSA-N 1 0 324.421 0.829 50 0 DCAARO Cc1nn(C)c(C)c1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000030656836 182595321 /nfs/dbraw/zinc/59/53/21/182595321.db2.gz GGVDDUMKQQYFAI-UHFFFAOYSA-N 1 0 300.428 0.551 50 0 DCAARO O=C(NCCn1ccnc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000043311457 183354298 /nfs/dbraw/zinc/35/42/98/183354298.db2.gz AFOULPIMKBTMTL-UHFFFAOYSA-N 1 0 321.425 0.637 50 0 DCAARO COCCOc1cccc(C[NH2+]CCNS(C)(=O)=O)c1 ZINC000051188318 183819556 /nfs/dbraw/zinc/81/95/56/183819556.db2.gz YIGIFFSVQSEARG-UHFFFAOYSA-N 1 0 302.396 0.351 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCCCNC1=O ZINC000058393600 184112741 /nfs/dbraw/zinc/11/27/41/184112741.db2.gz XGGSIUACMRBJJK-CQSZACIVSA-N 1 0 321.425 0.323 50 0 DCAARO C[N@H+](CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C1CC1 ZINC000063118222 184271534 /nfs/dbraw/zinc/27/15/34/184271534.db2.gz OHELTEJWKNFEPF-LBPRGKRZSA-N 1 0 305.378 0.839 50 0 DCAARO CCNC(=O)[C@@H]1CCN(c2nc(C)nc3c2CC[NH2+]CC3)C1 ZINC000065393423 184333865 /nfs/dbraw/zinc/33/38/65/184333865.db2.gz GQTGJKXTQALIMX-GFCCVEGCSA-N 1 0 303.410 0.436 50 0 DCAARO C[C@H]1CCCN(C(=O)CC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC000065488482 184353146 /nfs/dbraw/zinc/35/31/46/184353146.db2.gz TWARHXJCVNWCIM-LBPRGKRZSA-N 1 0 305.444 0.116 50 0 DCAARO Cn1nc([C@@H]2CCCN(C(=O)C[NH3+])C2)n(-c2ccccc2)c1=O ZINC000067560256 184472319 /nfs/dbraw/zinc/47/23/19/184472319.db2.gz PROGIKFPAJXCPJ-GFCCVEGCSA-N 1 0 315.377 0.236 50 0 DCAARO CC1CC[NH+](CCNC(=O)c2cnn(C)c2-n2cnnc2)CC1 ZINC000339262377 253049322 /nfs/dbraw/zinc/04/93/22/253049322.db2.gz AWCDTJCAEKEBJY-UHFFFAOYSA-N 1 0 317.397 0.463 50 0 DCAARO Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])nc1Cl ZINC000237804530 257238016 /nfs/dbraw/zinc/23/80/16/257238016.db2.gz IQMDOPBUICHKAN-RKDXNWHRSA-N 1 0 306.819 0.869 50 0 DCAARO CC(C)n1cnnc1CN(C)C(=O)CC[N@H+](C)[C@H]1CCN(C)C1 ZINC000426505678 257248496 /nfs/dbraw/zinc/24/84/96/257248496.db2.gz GXQRTCDGTROGNE-AWEZNQCLSA-N 1 0 322.457 0.843 50 0 DCAARO Cn1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1=O ZINC000426486491 257249061 /nfs/dbraw/zinc/24/90/61/257249061.db2.gz VHVAXJAZDVGFSS-UHFFFAOYSA-N 1 0 319.405 0.759 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)NCc2ccco2)C[C@H]1C ZINC000252474409 257258606 /nfs/dbraw/zinc/25/86/06/257258606.db2.gz CVIQYEOAPLGENH-RDBSUJKOSA-N 1 0 309.410 0.671 50 0 DCAARO Cc1ncc2c(c1CNC(=O)c1ccc(=O)n(C)n1)CC[NH2+]C2 ZINC000072408243 257270914 /nfs/dbraw/zinc/27/09/14/257270914.db2.gz IDMYSUAXHYRQKM-UHFFFAOYSA-N 1 0 313.361 0.059 50 0 DCAARO C[C@H](O)C[NH+]1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000071877455 184883505 /nfs/dbraw/zinc/88/35/05/184883505.db2.gz OMCKKUFXZGQKJK-AWEZNQCLSA-N 1 0 301.394 0.766 50 0 DCAARO COc1cccc(N2CCC[C@H](NC(=O)[C@H]3C[C@H](O)C[NH2+]3)C2)c1 ZINC000277491596 533577255 /nfs/dbraw/zinc/57/72/55/533577255.db2.gz JMMSHDJEQYRWLG-DUVNUKRYSA-N 1 0 319.405 0.503 50 0 DCAARO COc1cccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)C2)c1 ZINC000299749218 134744618 /nfs/dbraw/zinc/74/46/18/134744618.db2.gz JMMSHDJEQYRWLG-NOLJZWGESA-N 1 0 319.405 0.503 50 0 DCAARO [NH3+]CCNC(=O)c1nc(-c2ccc(Br)o2)no1 ZINC000012374943 395687373 /nfs/dbraw/zinc/68/73/73/395687373.db2.gz YUMHNYQOTOBUSF-UHFFFAOYSA-N 1 0 301.100 0.781 50 0 DCAARO COc1ccc(OC)c(COC[C@@H](O)C[NH2+]C(C)(C)CO)c1 ZINC000012381816 395687612 /nfs/dbraw/zinc/68/76/12/395687612.db2.gz DUBZARWNGLSMGO-ZDUSSCGKSA-N 1 0 313.394 0.942 50 0 DCAARO Cc1cccnc1N1CCN(C[C@@H]2C[N@H+](C)CC[C@H]2O)CC1 ZINC000019938871 395691171 /nfs/dbraw/zinc/69/11/71/395691171.db2.gz DFCPZZRUROYXGK-JKSUJKDBSA-N 1 0 304.438 0.825 50 0 DCAARO C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@@H]1C[N@H+](C)CCO ZINC000085469923 395700826 /nfs/dbraw/zinc/70/08/26/395700826.db2.gz NPQSRTCSDOQAQD-GJZGRUSLSA-N 1 0 322.405 0.605 50 0 DCAARO C[C@H](CNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)[NH+](C)C ZINC000089900641 395716444 /nfs/dbraw/zinc/71/64/44/395716444.db2.gz PTPOBXMOUSSRFQ-HIFRSBDPSA-N 1 0 319.405 0.480 50 0 DCAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000028223336 395695789 /nfs/dbraw/zinc/69/57/89/395695789.db2.gz SNHCKLRHBPMJOH-CYBMUJFWSA-N 1 0 317.455 0.212 50 0 DCAARO Cn1c(=O)cc(-c2nc(CC3CC[NH+](C)CC3)no2)n(C)c1=O ZINC000096164395 395746908 /nfs/dbraw/zinc/74/69/08/395746908.db2.gz FBTAWURFBSFGIM-UHFFFAOYSA-N 1 0 319.365 0.018 50 0 DCAARO Cc1n[nH]c(C)c1CCC(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000096133789 395745777 /nfs/dbraw/zinc/74/57/77/395745777.db2.gz HSNOOCSAXMNXSC-CQSZACIVSA-N 1 0 308.426 0.780 50 0 DCAARO O=C(C1CC1)N1CC[N@H+](CCCc2cccnc2)C[C@@H](O)C1 ZINC000097475389 395758192 /nfs/dbraw/zinc/75/81/92/395758192.db2.gz ISMMLDLCSYPSCG-MRXNPFEDSA-N 1 0 303.406 0.929 50 0 DCAARO Cn1cc(N2CC[C@@H]([NH2+][C@@H](CO)c3ccccc3)C2=O)cn1 ZINC000097081906 395755020 /nfs/dbraw/zinc/75/50/20/395755020.db2.gz MUKGMNKPBMBGKP-CABCVRRESA-N 1 0 300.362 0.849 50 0 DCAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1c(C)nn(CCO)c1C)CC2 ZINC000097199525 395755725 /nfs/dbraw/zinc/75/57/25/395755725.db2.gz PQPUCQNUNMWHBB-ZDUSSCGKSA-N 1 0 318.425 0.751 50 0 DCAARO O[C@H]1COC[C@@H]1N1CCC[N@H+](Cc2cccc3nonc32)CC1 ZINC000097213222 395756033 /nfs/dbraw/zinc/75/60/33/395756033.db2.gz GYKKAOKLWNPOIX-GJZGRUSLSA-N 1 0 318.377 0.490 50 0 DCAARO O=C(CC[NH+]1CCCC1)N1CCN(Cc2ccco2)C[C@H](O)C1 ZINC000097674357 395759840 /nfs/dbraw/zinc/75/98/40/395759840.db2.gz MKABDGKHOQOCQI-HNNXBMFYSA-N 1 0 321.421 0.771 50 0 DCAARO C[NH+](C)[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)c1ccccc1 ZINC000097653524 395759917 /nfs/dbraw/zinc/75/99/17/395759917.db2.gz KYYAOIDCYPMLDX-OLZOCXBDSA-N 1 0 318.377 0.394 50 0 DCAARO OCCC[N@@H+]1CCN(CCOCc2ccccc2)C[C@@H](O)C1 ZINC000097757884 395760381 /nfs/dbraw/zinc/76/03/81/395760381.db2.gz JNERLHXANKXQAB-KRWDZBQOSA-N 1 0 308.422 0.564 50 0 DCAARO CN(C[C@@H]1CCCC[C@H]1O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000195555407 395831637 /nfs/dbraw/zinc/83/16/37/395831637.db2.gz FPZNLTJOYRMHSN-RRFJBIMHSA-N 1 0 310.442 0.179 50 0 DCAARO COCCOc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000050246449 395838079 /nfs/dbraw/zinc/83/80/79/395838079.db2.gz MOTIQBGKEACAHX-GFCCVEGCSA-N 1 0 314.407 0.681 50 0 DCAARO CC(C)[N@@H+]1CCCC[C@@H]1CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000219689318 395846124 /nfs/dbraw/zinc/84/61/24/395846124.db2.gz FQVBALFTYMVHAM-GFCCVEGCSA-N 1 0 322.409 0.456 50 0 DCAARO Cc1cc(NC(=O)CC[NH+]2CCC(N3CCNC3=O)CC2)no1 ZINC000051450021 395850140 /nfs/dbraw/zinc/85/01/40/395850140.db2.gz BSLDBPKEWUVTQJ-UHFFFAOYSA-N 1 0 321.381 0.801 50 0 DCAARO COC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222197732 395851771 /nfs/dbraw/zinc/85/17/71/395851771.db2.gz RZNHTQQTKYPCTJ-KBPBESRZSA-N 1 0 306.410 0.967 50 0 DCAARO Cc1nc2ncccn2c1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+](C)C ZINC000222976230 395853245 /nfs/dbraw/zinc/85/32/45/395853245.db2.gz XBDUANYBAAAANI-ZMJPVWNMSA-N 1 0 315.377 0.485 50 0 DCAARO C[NH2+][C@H](C(=O)NCCc1nc(C)cc(=O)[nH]1)c1ccccc1 ZINC000222861410 395853341 /nfs/dbraw/zinc/85/33/41/395853341.db2.gz MKWADWDQHDQARA-HNNXBMFYSA-N 1 0 300.362 0.698 50 0 DCAARO O=c1[nH]ccn1CCN1CCN(c2ccc3nccn3n2)CC1 ZINC000244866641 395925743 /nfs/dbraw/zinc/92/57/43/395925743.db2.gz 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ZINC000067821810 396034948 /nfs/dbraw/zinc/03/49/48/396034948.db2.gz UREMPQAUKCTEQR-FZMZJTMJSA-N 1 0 315.377 0.101 50 0 DCAARO C[NH+]1CCC2(CC1)CCCN(C(=O)C1=NNC(=O)CC1)CC2 ZINC000067821384 396035039 /nfs/dbraw/zinc/03/50/39/396035039.db2.gz VWMZHVLSMQTYBC-UHFFFAOYSA-N 1 0 306.410 0.977 50 0 DCAARO C[C@@H](C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1)N1CCCC1=O ZINC000067833462 396035433 /nfs/dbraw/zinc/03/54/33/396035433.db2.gz OKEQKLVQQRMNGM-AWEZNQCLSA-N 1 0 322.453 0.236 50 0 DCAARO CCc1nc(C)c(C(=O)N[C@@H](C)c2nnc3n2CC[NH2+]CC3)o1 ZINC000067847609 396036109 /nfs/dbraw/zinc/03/61/09/396036109.db2.gz NXMROPWEOPGLAA-JTQLQIEISA-N 1 0 318.381 0.774 50 0 DCAARO C[C@@H](Cn1ccnc1)[NH2+]CCn1[nH]c(=O)c2ccccc2c1=O ZINC000067954751 396040726 /nfs/dbraw/zinc/04/07/26/396040726.db2.gz SRDLPOBVVFWGMS-LBPRGKRZSA-N 1 0 313.361 0.977 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cc(C)ccc1C ZINC000067975774 396041679 /nfs/dbraw/zinc/04/16/79/396041679.db2.gz HYCFGWRBRPFWIS-CABCVRRESA-N 1 0 303.406 0.910 50 0 DCAARO Cc1ccc(O)c(C(=O)NC[C@H]2CC[N@@H+](C(CO)CO)C2)c1 ZINC000067982287 396041805 /nfs/dbraw/zinc/04/18/05/396041805.db2.gz USKLCKLRBIWDDA-GFCCVEGCSA-N 1 0 308.378 0.106 50 0 DCAARO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000069660895 396085950 /nfs/dbraw/zinc/08/59/50/396085950.db2.gz CLWJFHPNAHLBDQ-LLVKDONJSA-N 1 0 303.453 0.796 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000069810593 396091156 /nfs/dbraw/zinc/09/11/56/396091156.db2.gz PSMHAFQQSNVFJT-ARFHVFGLSA-N 1 0 306.410 0.719 50 0 DCAARO C[NH+](C)C[C@H]1CN(CC(=O)NCCc2cccs2)CCO1 ZINC000069849498 396091867 /nfs/dbraw/zinc/09/18/67/396091867.db2.gz LMFBZVMKMKDVHP-ZDUSSCGKSA-N 1 0 311.451 0.669 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000069846234 396092375 /nfs/dbraw/zinc/09/23/75/396092375.db2.gz FEXSPIZJVZQLQL-OAHLLOKOSA-N 1 0 321.425 0.466 50 0 DCAARO COCC(=O)N[C@@H]1CN(Cc2ccncc2)C[C@H]1C[NH+](C)C ZINC000169790861 396093323 /nfs/dbraw/zinc/09/33/23/396093323.db2.gz 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/nfs/dbraw/zinc/22/56/43/396225643.db2.gz KVKFSGCBZGDIJQ-UHFFFAOYSA-N 1 0 309.395 0.836 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000077555780 396226433 /nfs/dbraw/zinc/22/64/33/396226433.db2.gz PJFWQOAAVKPLCX-CQSZACIVSA-N 1 0 323.441 0.473 50 0 DCAARO O=C(NCC1=CC[NH2+]CC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000186362635 396348872 /nfs/dbraw/zinc/34/88/72/396348872.db2.gz KTFIQFFVAMLIDZ-JTQLQIEISA-N 1 0 305.300 0.433 50 0 DCAARO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1cnn(CC(F)F)c1 ZINC000193266390 396447715 /nfs/dbraw/zinc/44/77/15/396447715.db2.gz STPHOMFGOFKJTD-SECBINFHSA-N 1 0 308.354 0.426 50 0 DCAARO CN1CC[NH+](CC2(Cn3cnc4cccnc4c3=O)CC2)CC1 ZINC000584889479 396633020 /nfs/dbraw/zinc/63/30/20/396633020.db2.gz MMWMOVNVIVWVPQ-UHFFFAOYSA-N 1 0 313.405 0.819 50 0 DCAARO COCCn1cnnc1C[NH2+][C@@H]1CCC(=O)N(CC2CC2)CC1 ZINC000584890682 396633816 /nfs/dbraw/zinc/63/38/16/396633816.db2.gz CTIXKCLRTXIMRH-CQSZACIVSA-N 1 0 321.425 0.805 50 0 DCAARO COCC[N@@H+]1CC[C@@H](C(=O)NC2(C(N)=O)CCCCCC2)C1 ZINC000584892188 396633954 /nfs/dbraw/zinc/63/39/54/396633954.db2.gz VIWVBMSFWCQHFM-CYBMUJFWSA-N 1 0 311.426 0.649 50 0 DCAARO O=C1CC[C@H]([NH2+]C2CCS(=O)(=O)CC2)CCN1CC1CC1 ZINC000584892559 396634052 /nfs/dbraw/zinc/63/40/52/396634052.db2.gz COXBXEPDAURUPX-ZDUSSCGKSA-N 1 0 314.451 0.944 50 0 DCAARO CN1C(=O)CCC12CCN(C(=O)CN1CCC[N@H+](C)CC1)CC2 ZINC000584892385 396634230 /nfs/dbraw/zinc/63/42/30/396634230.db2.gz RVFHWDNGHWVUGQ-UHFFFAOYSA-N 1 0 322.453 0.237 50 0 DCAARO Cn1cc(CCC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cn1 ZINC000584898159 396635731 /nfs/dbraw/zinc/63/57/31/396635731.db2.gz LJWPNSLCVVCNJW-GJZGRUSLSA-N 1 0 306.410 0.410 50 0 DCAARO C[N@@H+]1CCOC[C@H](CNC(=O)c2ccc3[nH]c(CO)nc3c2)C1 ZINC000584903287 396637335 /nfs/dbraw/zinc/63/73/35/396637335.db2.gz OFOIXHBFXRTHGV-LLVKDONJSA-N 1 0 318.377 0.363 50 0 DCAARO COCCn1nc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1=O ZINC000044934316 415235983 /nfs/dbraw/zinc/23/59/83/415235983.db2.gz PFAKKXXQXJQGCF-GFCCVEGCSA-N 1 0 320.393 0.104 50 0 DCAARO CCOc1cc2c(cc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)O[C@@H](C)C2 ZINC000269209922 415247997 /nfs/dbraw/zinc/24/79/97/415247997.db2.gz OTNIIUYOPFUMAV-GDLCADMTSA-N 1 0 320.389 0.748 50 0 DCAARO O=C(NCCNc1ncccn1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047058369 415266242 /nfs/dbraw/zinc/26/62/42/415266242.db2.gz QIFFUTJUNREIHS-QWHCGFSZSA-N 1 0 304.398 0.815 50 0 DCAARO COC(=O)CCn1cc(CN2CCC[C@](O)(C[NH+](C)C)C2)cn1 ZINC000072477521 415413983 /nfs/dbraw/zinc/41/39/83/415413983.db2.gz HKMDDJBJIDSRCY-INIZCTEOSA-N 1 0 324.425 0.335 50 0 DCAARO O=C(NCC[C@@H]1CCC[NH2+]1)c1cc(CN2CCC(O)CC2)on1 ZINC000067540887 415380253 /nfs/dbraw/zinc/38/02/53/415380253.db2.gz NWSPQBQBPCHPKS-LBPRGKRZSA-N 1 0 322.409 0.503 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CSc1nc(C)cs1 ZINC000067739672 415385964 /nfs/dbraw/zinc/38/59/64/415385964.db2.gz RVBRHXKVXXXCRC-BDAKNGLRSA-N 1 0 314.436 0.218 50 0 DCAARO CCN1CCN(Cc2cc(C(=O)NCC[C@H](C)O)no2)CC1 ZINC000067886611 415389426 /nfs/dbraw/zinc/38/94/26/415389426.db2.gz UPRBJLAYXDTDLQ-LBPRGKRZSA-N 1 0 310.398 0.313 50 0 DCAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccnc(N)c1 ZINC000067885912 415390155 /nfs/dbraw/zinc/39/01/55/415390155.db2.gz GZPFXXOJUZBKQJ-NEPJUHHUSA-N 1 0 305.382 0.074 50 0 DCAARO CC(C)c1cc(N2CCN(CCn3cncn3)CC2)nc(N)[nH+]1 ZINC000095369033 415553503 /nfs/dbraw/zinc/55/35/03/415553503.db2.gz ABJALLMWVBXTFQ-UHFFFAOYSA-N 1 0 316.413 0.596 50 0 DCAARO CN1CC[NH+]([C@H]2CCN(c3cnccn3)C[C@H]2CCCO)CC1 ZINC000095387711 415559425 /nfs/dbraw/zinc/55/94/25/415559425.db2.gz XSHHRLDRMCVCIC-CVEARBPZSA-N 1 0 319.453 0.691 50 0 DCAARO Cc1cc(C)n(CCNC(=O)[C@H]2CCCCC[N@H+]2C)c(=O)n1 ZINC000095376655 415560236 /nfs/dbraw/zinc/56/02/36/415560236.db2.gz BRPBNEZRBRLZOF-CQSZACIVSA-N 1 0 306.410 0.851 50 0 DCAARO Cn1ccc(NC(=O)C(=O)NCC[N@H+](CC2CC2)C2CC2)n1 ZINC000095960530 415566462 /nfs/dbraw/zinc/56/64/62/415566462.db2.gz HSYHQOZUTKEYKA-UHFFFAOYSA-N 1 0 305.382 0.349 50 0 DCAARO CC(C)CNC(=O)CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000106916195 415657785 /nfs/dbraw/zinc/65/77/85/415657785.db2.gz RLDUZGOSCXSALO-SOUVJXGZSA-N 1 0 322.453 0.884 50 0 DCAARO Cn1cncc1C(=O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000299759237 416063618 /nfs/dbraw/zinc/06/36/18/416063618.db2.gz CVDWWXJOWAOSBN-OAHLLOKOSA-N 1 0 303.410 0.272 50 0 DCAARO COCCN1C[C@H](C[N@@H+]2CCc3nc[nH]c(=O)c3C2)CC1=O ZINC000299792463 416070192 /nfs/dbraw/zinc/07/01/92/416070192.db2.gz FYVRAFPNICMHLO-NSHDSACASA-N 1 0 306.366 0.035 50 0 DCAARO Cc1nn(C)c(C)c1[C@H](C)NC(=O)CC[NH+]1CCN(C)CC1 ZINC000299796825 416071707 /nfs/dbraw/zinc/07/17/07/416071707.db2.gz OAGFFRQNQDCPIP-LBPRGKRZSA-N 1 0 307.442 0.852 50 0 DCAARO O=C(N[C@H]1CCN(c2ccccc2F)C1=O)[C@H]1C[NH2+]CCO1 ZINC000187772768 416263200 /nfs/dbraw/zinc/26/32/00/416263200.db2.gz SWTBPNFXIQIQRL-WCQYABFASA-N 1 0 307.325 0.036 50 0 DCAARO CN(CC(=O)N1CCOCC1)[C@H]1CCc2ccccc2NC1=O ZINC000191914278 416291677 /nfs/dbraw/zinc/29/16/77/416291677.db2.gz FVHUOMDBAGGOOM-HNNXBMFYSA-N 1 0 317.389 0.731 50 0 DCAARO Cc1ncn(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1C ZINC000215026295 416326899 /nfs/dbraw/zinc/32/68/99/416326899.db2.gz CLGOEPMBIARGMA-UHFFFAOYSA-N 1 0 322.390 0.577 50 0 DCAARO CN(C)c1ncc(CN2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000215650791 416327299 /nfs/dbraw/zinc/32/72/99/416327299.db2.gz HPLWVJGDAZDQCA-UHFFFAOYSA-N 1 0 318.469 0.754 50 0 DCAARO [NH3+]C[C@@H]1CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000237963151 416329337 /nfs/dbraw/zinc/32/93/37/416329337.db2.gz SFOOKBZZTRTHEZ-QMMMGPOBSA-N 1 0 300.156 0.701 50 0 DCAARO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000240900752 416330213 /nfs/dbraw/zinc/33/02/13/416330213.db2.gz ITONUQNWRSYXNG-ZBFHGGJFSA-N 1 0 306.410 0.954 50 0 DCAARO CC(C)OC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000241738537 416330434 /nfs/dbraw/zinc/33/04/34/416330434.db2.gz QYJAOJYZANTWEG-FRRDWIJNSA-N 1 0 308.444 0.222 50 0 DCAARO COCc1nc(NCCN2CCNC2=O)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000243893760 416330582 /nfs/dbraw/zinc/33/05/82/416330582.db2.gz ATXZDSDWDVCVHU-PHIMTYICSA-N 1 0 320.397 0.265 50 0 DCAARO CN(CC(=O)N[C@@H]1C[C@@H](CO)[N@H+](C)C1)Cc1ccc(F)cc1 ZINC000244764005 416330767 /nfs/dbraw/zinc/33/07/67/416330767.db2.gz OZMLSJBSNUGRKB-CABCVRRESA-N 1 0 309.385 0.439 50 0 DCAARO O=C(COc1cccnc1)N[C@H]([C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000244695593 416330904 /nfs/dbraw/zinc/33/09/04/416330904.db2.gz JPFGMRPAVZQSDN-VBQJREDUSA-N 1 0 319.405 0.716 50 0 DCAARO CCOC(=O)C[C@@](C)([NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC000521393964 417006095 /nfs/dbraw/zinc/00/60/95/417006095.db2.gz CMVSLHFNCPXFRR-OAHLLOKOSA-N 1 0 307.350 0.640 50 0 DCAARO CC(=O)OC(C)(C)C(=O)NCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000575617154 417540942 /nfs/dbraw/zinc/54/09/42/417540942.db2.gz ZUJUFVQOLGSMTK-AWEZNQCLSA-N 1 0 312.410 0.945 50 0 DCAARO CCOCCS(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652383599 417897579 /nfs/dbraw/zinc/89/75/79/417897579.db2.gz AMHZHEOIFIZQOB-MGPQQGTHSA-N 1 0 320.455 0.714 50 0 DCAARO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1=O ZINC000299752435 229396833 /nfs/dbraw/zinc/39/68/33/229396833.db2.gz UDEIRFMPDGCATQ-MEYUZBJRSA-N 1 0 313.401 0.826 50 0 DCAARO NC(=O)COc1ccc(/C=C\C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000492997522 272163596 /nfs/dbraw/zinc/16/35/96/272163596.db2.gz WTUOCBGWXBZZAU-UJZCVKTISA-N 1 0 303.362 0.514 50 0 DCAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cn2cccnc2n1 ZINC000097528099 276760763 /nfs/dbraw/zinc/76/07/63/276760763.db2.gz QHHJYOSVWDTKEJ-CYBMUJFWSA-N 1 0 317.393 0.912 50 0 DCAARO C[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[C@@]1(O)C1CCC1 ZINC000091678904 288054271 /nfs/dbraw/zinc/05/42/71/288054271.db2.gz IFUYJIFYLDTBBM-ABAIWWIYSA-N 1 0 307.398 0.250 50 0 DCAARO Cc1ncsc1CCS(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000333427983 279180689 /nfs/dbraw/zinc/18/06/89/279180689.db2.gz NBUDVJVIKFXQPF-TXEJJXNPSA-N 1 0 315.464 0.817 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000252221827 288232689 /nfs/dbraw/zinc/23/26/89/288232689.db2.gz ZFNSSXARUWLNLF-UMSGYPCISA-N 1 0 305.444 0.400 50 0 DCAARO Cc1cc(N[C@H]2CN(C(=O)C3([NH3+])CC3)C[C@@H]2C2CC2)ncn1 ZINC000092080483 280633354 /nfs/dbraw/zinc/63/33/54/280633354.db2.gz JCRZZAYBWVEEKX-OLZOCXBDSA-N 1 0 301.394 0.925 50 0 DCAARO Cc1sc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1S(N)(=O)=O ZINC000153252508 294071801 /nfs/dbraw/zinc/07/18/01/294071801.db2.gz VVUUMIVLDCSKKV-YUMQZZPRSA-N 1 0 317.436 0.526 50 0 DCAARO O=S(=O)(NC[C@]1(O)CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000534653033 334312940 /nfs/dbraw/zinc/31/29/40/334312940.db2.gz HFNFLZJQZDYQEJ-LBPRGKRZSA-N 1 0 304.799 0.733 50 0 DCAARO OCC1CC[NH+](CCNc2cc(-n3cccn3)ncn2)CC1 ZINC000534658162 334314577 /nfs/dbraw/zinc/31/45/77/334314577.db2.gz VYHZFYWQIPKDSP-UHFFFAOYSA-N 1 0 302.382 0.779 50 0 DCAARO CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)CCOc1ccccc1 ZINC000534664785 334318544 /nfs/dbraw/zinc/31/85/44/334318544.db2.gz VSICRRPVFBVRQD-KBPBESRZSA-N 1 0 314.407 0.314 50 0 DCAARO Cn1c(C[NH3+])nnc1Sc1nc2ccccc2n1CCO ZINC000534662620 334322657 /nfs/dbraw/zinc/32/26/57/334322657.db2.gz HPEUWAPKGSQMHU-UHFFFAOYSA-N 1 0 304.379 0.767 50 0 DCAARO CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]2C[NH2+]C)c1 ZINC000237123555 522050350 /nfs/dbraw/zinc/05/03/50/522050350.db2.gz PYLSSZWGFUAFKQ-VIFPVBQESA-N 1 0 317.436 0.480 50 0 DCAARO C[C@@H]1CN(c2ccc(C(=O)N3CC[NH2+]CC3)cn2)C[C@H](C)O1 ZINC000237659805 525062971 /nfs/dbraw/zinc/06/29/71/525062971.db2.gz XVDDEMITEDWXEH-BETUJISGSA-N 1 0 304.394 0.741 50 0 DCAARO NC(=O)COc1ccc(/C=C/C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000157694731 526890205 /nfs/dbraw/zinc/89/02/05/526890205.db2.gz MVUWTNSATVFCFI-OQHXTRMZSA-N 1 0 303.362 0.514 50 0 DCAARO Cn1ncnc1CCNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000670457957 547097326 /nfs/dbraw/zinc/09/73/26/547097326.db2.gz ZNESUSZAGOCERZ-UHFFFAOYSA-N 1 0 303.366 0.976 50 0 DCAARO C[C@H](CN1CCOCC1)C(=O)NC1(C(N)=O)CCCCCC1 ZINC000670463488 547099397 /nfs/dbraw/zinc/09/93/97/547099397.db2.gz OAUIPCORTQKHKM-CYBMUJFWSA-N 1 0 311.426 0.649 50 0 DCAARO C[NH+](C)[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1n1ccnn1 ZINC000685940068 548746127 /nfs/dbraw/zinc/74/61/27/548746127.db2.gz IXFHVKLKSKHCAZ-OLZOCXBDSA-N 1 0 315.381 0.506 50 0 DCAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000257365341 563594997 /nfs/dbraw/zinc/59/49/97/563594997.db2.gz NDUGJWXFBFAQOW-MGPQQGTHSA-N 1 0 310.398 0.047 50 0 DCAARO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000170070816 563903675 /nfs/dbraw/zinc/90/36/75/563903675.db2.gz XJRMVLXPXKAMND-MFKMUULPSA-N 1 0 303.366 0.883 50 0 DCAARO [NH3+][C@H](CO)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000888096305 661173739 /nfs/dbraw/zinc/17/37/39/661173739.db2.gz AIYXETNUWHYIFY-LLVKDONJSA-N 1 0 313.195 0.917 50 0 DCAARO CN1CC[NH+]([C@@H]2CCN(C(=O)C3C(C)(C)C3(C)C)C[C@H]2O)CC1 ZINC000023360142 658773767 /nfs/dbraw/zinc/77/37/67/658773767.db2.gz SGQARGNRIBRKSC-ZIAGYGMSSA-N 1 0 323.481 0.878 50 0 DCAARO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000299922940 659663303 /nfs/dbraw/zinc/66/33/03/659663303.db2.gz VCYQYGBSZGAZPV-MFKMUULPSA-N 1 0 311.363 0.967 50 0 DCAARO CC(C)(C(=O)N1CCN(Cc2nc[nH]n2)CC1)[NH+]1CCCC1 ZINC000426730344 661703483 /nfs/dbraw/zinc/70/34/83/661703483.db2.gz GOCKQALXCDDWMN-UHFFFAOYSA-N 1 0 306.414 0.323 50 0 DCAARO Cc1noc(CN2CCC[C@H](CNC(=O)c3cncn3C)C2)n1 ZINC000952973726 665835561 /nfs/dbraw/zinc/83/55/61/665835561.db2.gz MDGWIRYXMJZWRH-GFCCVEGCSA-N 1 0 318.381 0.754 50 0 DCAARO Cc1nc(C)c(S(=O)(=O)N2CC([NH2+][C@@H]3CCOC3)C2)s1 ZINC000952994242 665875504 /nfs/dbraw/zinc/87/55/04/665875504.db2.gz XWMBZZXHHWSQMU-SNVBAGLBSA-N 1 0 317.436 0.511 50 0 DCAARO COc1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)on1 ZINC000184799519 666280970 /nfs/dbraw/zinc/28/09/70/666280970.db2.gz UIUCOYREBHVKRY-LLVKDONJSA-N 1 0 309.366 0.914 50 0 DCAARO CCOC(=O)[C@H]1CCCN(CC(=O)N[C@@H](CCO)C(C)C)C1 ZINC000863948150 667196904 /nfs/dbraw/zinc/19/69/04/667196904.db2.gz MMHHEDXSLHXQRD-KBPBESRZSA-N 1 0 314.426 0.785 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc3nonc3c2)C1 ZINC000952964072 685598508 /nfs/dbraw/zinc/59/85/08/685598508.db2.gz NAIBLXSVQXRPCD-LLVKDONJSA-N 1 0 317.349 0.036 50 0 DCAARO CO[C@@H](C)C(=O)N1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000952972972 685600052 /nfs/dbraw/zinc/60/00/52/685600052.db2.gz VUZBAWVEVUDVPR-ZDUSSCGKSA-N 1 0 311.426 0.472 50 0 DCAARO CCC(=O)N1CCC(C(=O)NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000952979208 685600587 /nfs/dbraw/zinc/60/05/87/685600587.db2.gz GJZSYIMCSZQZRW-CQSZACIVSA-N 1 0 311.426 0.208 50 0 DCAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 ZINC000014750091 685048582 /nfs/dbraw/zinc/04/85/82/685048582.db2.gz PWDBWMWXOAZZQV-UHFFFAOYSA-N 1 0 319.409 0.977 50 0 DCAARO C[C@H](CCc1ccc(O)cc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000388043339 685253996 /nfs/dbraw/zinc/25/39/96/685253996.db2.gz GNRQOLUHMWCWGA-LLVKDONJSA-N 1 0 303.366 0.694 50 0 DCAARO O=S(=O)(c1ccc(Cl)s1)N1C[C@@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772701974 1157841629 /nfs/dbraw/zinc/84/16/29/1157841629.db2.gz CRSQVKRSLKHZBQ-GZMMTYOYSA-N 1 0 322.839 0.604 50 0 DCAARO COc1cc(OC)nc(N2CCC[C@](CO)(C[NH+](C)C)C2)n1 ZINC001772711546 1157849700 /nfs/dbraw/zinc/84/97/00/1157849700.db2.gz ZEUJDRXJEKEITQ-HNNXBMFYSA-N 1 0 310.398 0.634 50 0 DCAARO C[N@@H+]1CCC[C@]2(CO)CCN(C(=O)c3ccc(O)cn3)C[C@@H]12 ZINC001704301163 1179965839 /nfs/dbraw/zinc/96/58/39/1179965839.db2.gz NECUUMMIBPCRIA-GDBMZVCRSA-N 1 0 305.378 0.706 50 0 DCAARO CC(C)Nc1ncc(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](C)C3)cn1 ZINC001704309608 1179970062 /nfs/dbraw/zinc/97/00/62/1179970062.db2.gz YLSCOJGFABJGGL-JSGCOSHPSA-N 1 0 319.409 0.700 50 0 DCAARO Cc1nc(N(C)C)ncc1C(=O)N1C[C@H]2COC[C@@H]1C[N@H+](C)C2 ZINC001704314113 1179970904 /nfs/dbraw/zinc/97/09/04/1179970904.db2.gz OEEQXJOXMHOCAH-STQMWFEESA-N 1 0 319.409 0.254 50 0 DCAARO CC(C)Oc1cc(N2C[C@@H]3COC[C@H](C2)[N@H+](C)C3)nc(N)n1 ZINC001704314445 1179971187 /nfs/dbraw/zinc/97/11/87/1179971187.db2.gz ZQPWFXMLBBFWCK-NEPJUHHUSA-N 1 0 307.398 0.613 50 0 DCAARO CNC(=O)C[NH+]1CCC(CNC(=O)c2cncc(C)c2)CC1 ZINC000823824829 758278730 /nfs/dbraw/zinc/27/87/30/758278730.db2.gz XPMCHZKCTMDJQO-UHFFFAOYSA-N 1 0 304.394 0.578 50 0 DCAARO NC(=O)CCC1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000826835073 758848284 /nfs/dbraw/zinc/84/82/84/758848284.db2.gz NWDRVFSHKPGJRA-ZDUSSCGKSA-N 1 0 302.440 0.789 50 0 DCAARO O=C(NCc1ccccc1Cl)[C@@H]1C[C@@H](n2cnnn2)C[NH2+]1 ZINC000828128640 758931659 /nfs/dbraw/zinc/93/16/59/758931659.db2.gz XDNPVXLCWDCAEG-PWSUYJOCSA-N 1 0 306.757 0.546 50 0 DCAARO Cc1n[nH]c(C)c1CC(=O)NCCC[N@@H+]1CCCC[C@H]1CO ZINC000828710815 759072201 /nfs/dbraw/zinc/07/22/01/759072201.db2.gz JTABTZNFXVWWKM-AWEZNQCLSA-N 1 0 308.426 0.922 50 0 DCAARO CC[NH+]1CCC(N2CCN(Cc3ncc[nH]3)C[C@H](O)C2)CC1 ZINC000219642660 766274514 /nfs/dbraw/zinc/27/45/14/766274514.db2.gz PFYXWUNVFXRRAR-HNNXBMFYSA-N 1 0 307.442 0.373 50 0 DCAARO CCn1ncc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)c1C ZINC001529099971 1014494683 /nfs/dbraw/zinc/49/46/83/1014494683.db2.gz KEYBFXMCOQONOG-UHFFFAOYSA-N 1 0 307.398 0.737 50 0 DCAARO CNC(=O)c1cccnc1NCC1(C[NH+]2CCN(C)CC2)CC1 ZINC001529142955 1014504261 /nfs/dbraw/zinc/50/42/61/1014504261.db2.gz ZIZAFZGTEJUWIK-UHFFFAOYSA-N 1 0 317.437 0.881 50 0 DCAARO COCC[N@@H+]1CC[C@H](CN(C)C(=O)CN2CCCCC2=O)C1 ZINC001506423532 1017267092 /nfs/dbraw/zinc/26/70/92/1017267092.db2.gz IVVHELDNSJSIJJ-CQSZACIVSA-N 1 0 311.426 0.426 50 0 DCAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000074659040 185005918 /nfs/dbraw/zinc/00/59/18/185005918.db2.gz DWMCVOVIDGSMER-GJZGRUSLSA-N 1 0 312.458 0.690 50 0 DCAARO C[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)C[C@@H]1[NH+](C)C ZINC000078894731 185124290 /nfs/dbraw/zinc/12/42/90/185124290.db2.gz ONTWNBGLUXZOKG-RISCZKNCSA-N 1 0 315.377 0.200 50 0 DCAARO Cc1ncc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000091409908 282144794 /nfs/dbraw/zinc/14/47/94/282144794.db2.gz HJWFIWIPFHFEJZ-HZPDHXFCSA-N 1 0 318.421 0.951 50 0 DCAARO C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000182879324 199504567 /nfs/dbraw/zinc/50/45/67/199504567.db2.gz XROQPQDGNIZRJZ-RISCZKNCSA-N 1 0 300.362 0.653 50 0 DCAARO Cc1noc(-c2cccnc2N2CCC[N@H+](CCO)CC2)n1 ZINC000095403210 185354871 /nfs/dbraw/zinc/35/48/71/185354871.db2.gz VFKFXKRIMDZITK-UHFFFAOYSA-N 1 0 303.366 0.944 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccccc1OCCO ZINC000067982417 190741452 /nfs/dbraw/zinc/74/14/52/190741452.db2.gz NGYVEWZCGOWBTG-CABCVRRESA-N 1 0 321.421 0.484 50 0 DCAARO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)CC2 ZINC000069975966 190846412 /nfs/dbraw/zinc/84/64/12/190846412.db2.gz QBERJFGKPFPSBS-UONOGXRCSA-N 1 0 302.378 0.931 50 0 DCAARO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000084005396 192395118 /nfs/dbraw/zinc/39/51/18/192395118.db2.gz PLEXMSLXDNICGB-GWCFXTLKSA-N 1 0 317.393 0.282 50 0 DCAARO Cc1cc2nc(C(=O)N3CC[C@](O)(C[NH+](C)C)C3)cc(C)n2n1 ZINC000072141713 191050062 /nfs/dbraw/zinc/05/00/62/191050062.db2.gz VLVPEGVPWPYRIZ-INIZCTEOSA-N 1 0 317.393 0.485 50 0 DCAARO Cc1nc2c(cnn2C)c(N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)n1 ZINC000072152861 191058035 /nfs/dbraw/zinc/05/80/35/191058035.db2.gz GJQOGJGOGPMIGE-STQMWFEESA-N 1 0 302.382 0.317 50 0 DCAARO O=S(=O)(NC[C@@H]1C[NH2+]CCOC1)c1ccc(F)c(F)c1F ZINC000072164815 191065551 /nfs/dbraw/zinc/06/55/51/191065551.db2.gz KZEMYZSCIODUSN-QMMMGPOBSA-N 1 0 324.324 0.618 50 0 DCAARO C[NH+](C)CC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000072270835 191093815 /nfs/dbraw/zinc/09/38/15/191093815.db2.gz TUHMZUFAJSIQRB-HNNXBMFYSA-N 1 0 321.421 0.132 50 0 DCAARO CN(C)c1ncc(CN2CCC([NH+]3CCC(O)CC3)CC2)cn1 ZINC000072473041 191174917 /nfs/dbraw/zinc/17/49/17/191174917.db2.gz PEKSPRDTCHBUTE-UHFFFAOYSA-N 1 0 319.453 0.964 50 0 DCAARO COc1ccccc1OC1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000072477308 191179860 /nfs/dbraw/zinc/17/98/60/191179860.db2.gz RWWHINWVZJEWCC-OCCSQVGLSA-N 1 0 320.389 0.788 50 0 DCAARO Cc1ccnn1CC(=O)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072478496 191180215 /nfs/dbraw/zinc/18/02/15/191180215.db2.gz BGZOIOQTPYBTHX-HNNXBMFYSA-N 1 0 306.410 0.639 50 0 DCAARO COc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1NC(C)=O ZINC000005156585 181211051 /nfs/dbraw/zinc/21/10/51/181211051.db2.gz IAJINBXTHSFRIJ-UHFFFAOYSA-N 1 0 315.395 0.494 50 0 DCAARO CCOc1ccccc1N1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000236953662 202091009 /nfs/dbraw/zinc/09/10/09/202091009.db2.gz UBPIWZSMVBJRQH-INIZCTEOSA-N 1 0 319.405 0.722 50 0 DCAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000237207908 202189209 /nfs/dbraw/zinc/18/92/09/202189209.db2.gz JQDZORUEDUSBOV-VIFPVBQESA-N 1 0 318.830 0.937 50 0 DCAARO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000237419509 202260760 /nfs/dbraw/zinc/26/07/60/202260760.db2.gz FHVWVFWHVCVGIU-UHFFFAOYSA-N 1 0 318.420 0.074 50 0 DCAARO CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000187772075 200154929 /nfs/dbraw/zinc/15/49/29/200154929.db2.gz RJGMXSSXFYCBKW-UONOGXRCSA-N 1 0 321.352 0.378 50 0 DCAARO O=C(c1cc(N2CCNC2=O)ccc1Cl)N1CC[NH2+]CC1 ZINC000237752394 202346700 /nfs/dbraw/zinc/34/67/00/202346700.db2.gz GJGAPIMSDCWWRD-UHFFFAOYSA-N 1 0 308.769 0.915 50 0 DCAARO Cn1cnc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c1Cl ZINC000237816729 202362991 /nfs/dbraw/zinc/36/29/91/202362991.db2.gz BORBISVZKUCMAX-SECBINFHSA-N 1 0 306.819 0.742 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000237917232 202390574 /nfs/dbraw/zinc/39/05/74/202390574.db2.gz CNTVLEFGFAMOKP-CABCVRRESA-N 1 0 307.369 0.759 50 0 DCAARO C[C@H](c1nnnn1C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182666 200361560 /nfs/dbraw/zinc/36/15/60/200361560.db2.gz HRDWNOMYHNAKFF-CYBMUJFWSA-N 1 0 318.429 0.564 50 0 DCAARO COCCN1CCC[C@]2(CC[N@H+](Cc3ncccn3)C2)C1=O ZINC000091350708 193045457 /nfs/dbraw/zinc/04/54/57/193045457.db2.gz SBUTYPSWMBUMEL-MRXNPFEDSA-N 1 0 304.394 0.938 50 0 DCAARO CCC[C@H]1C[N@H+](Cc2ccc(N(C)C)nc2)C[C@@H]1NC(=O)CO ZINC000091468315 193060179 /nfs/dbraw/zinc/06/01/79/193060179.db2.gz XWXRAJPCZUUOFT-GJZGRUSLSA-N 1 0 320.437 0.857 50 0 DCAARO Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)[C@@H](C)[NH3+])CC2)n1 ZINC000091713169 193095923 /nfs/dbraw/zinc/09/59/23/193095923.db2.gz MRZHQDYWPLWRGO-SECBINFHSA-N 1 0 317.315 0.800 50 0 DCAARO [NH3+]CCn1cc(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)nn1 ZINC000091794201 193109045 /nfs/dbraw/zinc/10/90/45/193109045.db2.gz MDPYTMBPMICMCK-OAHLLOKOSA-N 1 0 307.398 0.252 50 0 DCAARO Cc1nc[nH]c1C(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000092022824 193143119 /nfs/dbraw/zinc/14/31/19/193143119.db2.gz UHXCVDLGOJZGPN-OAHLLOKOSA-N 1 0 305.382 0.145 50 0 DCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1[nH]nc2c1COCC2 ZINC000252489329 202847002 /nfs/dbraw/zinc/84/70/02/202847002.db2.gz JOGIGNDDHMCUCN-KBPBESRZSA-N 1 0 320.393 0.466 50 0 DCAARO CC(C)[C@H](CNc1ccc2nnnn2n1)[NH+]1CCN(C)CC1 ZINC000022917171 182340861 /nfs/dbraw/zinc/34/08/61/182340861.db2.gz ZLDHEKHCFVTCCK-LBPRGKRZSA-N 1 0 304.402 0.203 50 0 DCAARO O=C(CN(C(=O)c1cccc(F)c1)C1CC1)N1CC[NH2+]CC1 ZINC000033032514 182690324 /nfs/dbraw/zinc/69/03/24/182690324.db2.gz WSKHIHXGKPZFAB-UHFFFAOYSA-N 1 0 305.353 0.862 50 0 DCAARO Cc1ccccc1NC(=O)CNC(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000039445268 183018097 /nfs/dbraw/zinc/01/80/97/183018097.db2.gz IXKKQTHKBSMWGY-CQSZACIVSA-N 1 0 318.421 0.686 50 0 DCAARO CCOC(=O)CCNC(=O)N1CCO[C@@H](CC[NH+](C)C)C1 ZINC000039413236 183018374 /nfs/dbraw/zinc/01/83/74/183018374.db2.gz CJYHGJBTVCVQER-LBPRGKRZSA-N 1 0 301.387 0.302 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000040288273 183052206 /nfs/dbraw/zinc/05/22/06/183052206.db2.gz PDSOVUDCPFIMBJ-GFCCVEGCSA-N 1 0 307.398 0.576 50 0 DCAARO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc3cnccc32)CCO1 ZINC000041161982 183179230 /nfs/dbraw/zinc/17/92/30/183179230.db2.gz PBFCIGBDCWDVTN-LBPRGKRZSA-N 1 0 307.375 0.583 50 0 DCAARO CCS(=O)(=O)NCCNC(=O)C1CC[NH+](CC(C)C)CC1 ZINC000063644678 184286318 /nfs/dbraw/zinc/28/63/18/184286318.db2.gz SNKZGQLCSOTPHA-UHFFFAOYSA-N 1 0 319.471 0.410 50 0 DCAARO CN(CCNc1nc(CC[NH3+])nc2ccccc21)S(C)(=O)=O ZINC000065393529 184334506 /nfs/dbraw/zinc/33/45/06/184334506.db2.gz WIANARJFIOSWSF-UHFFFAOYSA-N 1 0 323.422 0.434 50 0 DCAARO CCn1ccnc1Cn1nc(C2CC[NH2+]CC2)n(CC)c1=O ZINC000065406238 184338895 /nfs/dbraw/zinc/33/88/95/184338895.db2.gz ODMKBBGQNLQNFW-UHFFFAOYSA-N 1 0 304.398 0.796 50 0 DCAARO C[C@H](CNC(=O)Nc1cnn(CC(N)=O)c1)C[NH+]1CCCC1 ZINC000065429148 184343521 /nfs/dbraw/zinc/34/35/21/184343521.db2.gz FPHCUQAJMMRDNK-LLVKDONJSA-N 1 0 308.386 0.222 50 0 DCAARO NC(=O)Cn1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000065427684 184343741 /nfs/dbraw/zinc/34/37/41/184343741.db2.gz YSNUXGSBMGIHDI-NWDGAFQWSA-N 1 0 306.370 0.117 50 0 DCAARO Cc1[nH+]c(N(C)C)nc(NCCCN2CCNC(=O)C2)c1C ZINC000065396808 184335830 /nfs/dbraw/zinc/33/58/30/184335830.db2.gz HMZHLGOZCXRSJJ-UHFFFAOYSA-N 1 0 306.414 0.393 50 0 DCAARO CC[C@H]([NH2+]CCS(=O)(=O)NC)C(=O)NC1CCCCC1 ZINC000065505699 184356526 /nfs/dbraw/zinc/35/65/26/184356526.db2.gz DKQBILWXEAIURY-LBPRGKRZSA-N 1 0 305.444 0.353 50 0 DCAARO Cc1ccc(C(=O)N(C)Cc2nncn2C)cc1OCC[NH3+] ZINC000426740399 257243097 /nfs/dbraw/zinc/24/30/97/257243097.db2.gz HCZVJJASHYECJU-UHFFFAOYSA-N 1 0 303.366 0.733 50 0 DCAARO Cc1c(CNC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cnn1C ZINC000426689817 257244211 /nfs/dbraw/zinc/24/42/11/257244211.db2.gz DRDNAVYIFLLHFQ-OAHLLOKOSA-N 1 0 309.414 0.327 50 0 DCAARO C[NH2+]Cc1nnc(SCc2nnc(C)[nH]2)n1C[C@@H]1CCCO1 ZINC000426535883 257247143 /nfs/dbraw/zinc/24/71/43/257247143.db2.gz NPFZDNVQYRGVQU-JTQLQIEISA-N 1 0 323.426 0.895 50 0 DCAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CC2(C1)CNC(=O)N2 ZINC000426434463 257250472 /nfs/dbraw/zinc/25/04/72/257250472.db2.gz MPBWDBSREQBZLE-UHFFFAOYSA-N 1 0 324.768 0.185 50 0 DCAARO O=C(NCCc1cn[nH]c1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000426403434 257251240 /nfs/dbraw/zinc/25/12/40/257251240.db2.gz BYTSQINILBJYLT-OAHLLOKOSA-N 1 0 321.425 0.440 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)NCc2nccn2C)C1 ZINC000426420265 257251275 /nfs/dbraw/zinc/25/12/75/257251275.db2.gz TUUWYHZSJGGAGN-AWEZNQCLSA-N 1 0 323.441 0.920 50 0 DCAARO CC[NH+]1CCN([C@@H](C)CNC(=O)Nc2cc(C)nn2C)CC1 ZINC000043432486 285332552 /nfs/dbraw/zinc/33/25/52/285332552.db2.gz NNFVTGRCAUSPEK-ZDUSSCGKSA-N 1 0 308.430 0.876 50 0 DCAARO CN(Cc1ccccc1F)C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000008317643 395684471 /nfs/dbraw/zinc/68/44/71/395684471.db2.gz MJYBPKWBCDXVPW-UHFFFAOYSA-N 1 0 307.369 0.981 50 0 DCAARO CCC[N@H+]1CCc2nnc(CCNC(=O)[C@H]3CCCO3)n2CC1 ZINC000012282960 395687176 /nfs/dbraw/zinc/68/71/76/395687176.db2.gz DBUPTTKEDZNGDO-CYBMUJFWSA-N 1 0 321.425 0.384 50 0 DCAARO CC(C)[C@@H](CNC(=O)Cn1nnc2ccccc2c1=O)[NH+](C)C ZINC000012949331 395688308 /nfs/dbraw/zinc/68/83/08/395688308.db2.gz AHCWFNRUWGYVMU-CQSZACIVSA-N 1 0 317.393 0.494 50 0 DCAARO CC(C)[NH2+]C[C@H](O)C(=O)N[C@H](C)[C@H]1COc2ccccc2O1 ZINC000003152891 395682341 /nfs/dbraw/zinc/68/23/41/395682341.db2.gz NOLYDRWVAQOLDK-TYNCELHUSA-N 1 0 308.378 0.690 50 0 biogenic DCAARO COc1ccccc1OCC(=O)N1CCOC[C@H]1C[NH+](C)C ZINC000085469936 395701160 /nfs/dbraw/zinc/70/11/60/395701160.db2.gz YEIFCNOTNAUTAV-CYBMUJFWSA-N 1 0 308.378 0.863 50 0 DCAARO Cc1sc2ncn(CC(=O)N3CC[NH2+]CC3)c(=O)c2c1C ZINC000031946092 395709067 /nfs/dbraw/zinc/70/90/67/395709067.db2.gz NRRPFCNRRFOYKK-UHFFFAOYSA-N 1 0 306.391 0.507 50 0 DCAARO C[N@@H+]1CCC[C@H]1CCN1CCN(c2ccc3nncn3n2)CC1 ZINC000089375361 395710361 /nfs/dbraw/zinc/71/03/61/395710361.db2.gz DKRWQWJVGZCSCS-AWEZNQCLSA-N 1 0 315.425 0.731 50 0 DCAARO COc1ccc(S(=O)(=O)N2CCOC23CC[NH2+]CC3)cc1 ZINC000034936205 395718488 /nfs/dbraw/zinc/71/84/88/395718488.db2.gz AAIIKFGBCDYTJD-UHFFFAOYSA-N 1 0 312.391 0.796 50 0 DCAARO CC(=O)N1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000084718311 395698935 /nfs/dbraw/zinc/69/89/35/395698935.db2.gz HBFRUXBTZAHDGT-JYJNAYRXSA-N 1 0 323.437 0.303 50 0 DCAARO COCC[C@]1(O)CC[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC000091965035 395728585 /nfs/dbraw/zinc/72/85/85/395728585.db2.gz USYFGPYJBUKWSL-ZIAGYGMSSA-N 1 0 322.471 0.377 50 0 DCAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000037822447 395729428 /nfs/dbraw/zinc/72/94/28/395729428.db2.gz KYNWDASZMVEUST-IHRRRGAJSA-N 1 0 310.781 0.963 50 0 DCAARO CCN1C(=O)N[C@](C)([C@@H]2CCC[N@H+](CCn3cncn3)C2)C1=O ZINC000095402602 395740289 /nfs/dbraw/zinc/74/02/89/395740289.db2.gz HTRKHEFNVIMKFV-IUODEOHRSA-N 1 0 320.397 0.321 50 0 DCAARO COCCN1C[C@@H](C(=O)NCC2([NH+](C)C)CCCC2)CC1=O ZINC000042764943 395748784 /nfs/dbraw/zinc/74/87/84/395748784.db2.gz MOFLYPCEKRTDCC-ZDUSSCGKSA-N 1 0 311.426 0.472 50 0 DCAARO COCCN(Cc1cnn(C)c1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000096151769 395746197 /nfs/dbraw/zinc/74/61/97/395746197.db2.gz WQXKJAIOPHWFEG-AWEZNQCLSA-N 1 0 306.410 0.785 50 0 DCAARO CNC(=O)c1cccc(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000096453515 395754037 /nfs/dbraw/zinc/75/40/37/395754037.db2.gz MAHNFJHTKXJLBW-UHFFFAOYSA-N 1 0 318.421 0.990 50 0 DCAARO CCn1cc(C2CC[NH+](CC(=O)N3CCOCC3)CC2)cn1 ZINC000097203402 395755982 /nfs/dbraw/zinc/75/59/82/395755982.db2.gz GUDXMZYCJUOPGG-UHFFFAOYSA-N 1 0 306.410 0.941 50 0 DCAARO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1coc(CN2CCOCC2)c1 ZINC000097522094 395758542 /nfs/dbraw/zinc/75/85/42/395758542.db2.gz HXBBPSDEOZSMNX-MRXNPFEDSA-N 1 0 319.405 0.936 50 0 DCAARO C[NH+](C)[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)c1ccccc1 ZINC000097653525 395759719 /nfs/dbraw/zinc/75/97/19/395759719.db2.gz KYYAOIDCYPMLDX-CHWSQXEVSA-N 1 0 318.377 0.394 50 0 DCAARO COc1ccc(CNc2c(=O)c(=O)c2N2CCN(C)CC2)cc1 ZINC000101684858 395766689 /nfs/dbraw/zinc/76/66/89/395766689.db2.gz AXODDLGKWRMXAU-UHFFFAOYSA-N 1 0 315.373 0.655 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000048326362 395813413 /nfs/dbraw/zinc/81/34/13/395813413.db2.gz SBNHFUFYZHDHQL-XQQFMLRXSA-N 1 0 305.444 0.414 50 0 DCAARO C[C@@H](CCn1cccn1)NC(=O)CN(C)C1CC[NH+](C)CC1 ZINC000219164419 395844893 /nfs/dbraw/zinc/84/48/93/395844893.db2.gz JJJAQZIOVDUUIL-AWEZNQCLSA-N 1 0 307.442 0.804 50 0 DCAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc[nH]c1)C2 ZINC000219408302 395845697 /nfs/dbraw/zinc/84/56/97/395845697.db2.gz ABHICNDKRRGITL-HNNXBMFYSA-N 1 0 317.393 0.852 50 0 DCAARO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1COCC[C@@H]1OCCO ZINC000219706213 395846074 /nfs/dbraw/zinc/84/60/74/395846074.db2.gz JNEJUSBGRAVJHU-CVEARBPZSA-N 1 0 322.405 0.644 50 0 DCAARO CN(CC(=O)NC[C@H]1C[N@H+](C)CCN1C)Cc1ccccc1F ZINC000219566812 395846266 /nfs/dbraw/zinc/84/62/66/395846266.db2.gz BMVXFLLDLSQANM-HNNXBMFYSA-N 1 0 322.428 0.620 50 0 DCAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1nc(Cl)n[nH]1 ZINC000222257142 395851986 /nfs/dbraw/zinc/85/19/86/395851986.db2.gz CEPFXZJDTCHUAQ-UYZPKGHCSA-N 1 0 313.789 0.224 50 0 DCAARO CC(=O)NC1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000223406031 395855293 /nfs/dbraw/zinc/85/52/93/395855293.db2.gz RNORWCLSAKPAMK-UHFFFAOYSA-N 1 0 304.398 0.368 50 0 DCAARO Cc1ccnc(SCC(=O)NC[C@H]2COCC[N@@H+](C)C2)n1 ZINC000223901294 395857394 /nfs/dbraw/zinc/85/73/94/395857394.db2.gz KVHXHXCVNPVRCT-GFCCVEGCSA-N 1 0 310.423 0.572 50 0 DCAARO Cn1cc(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2=O)cn1 ZINC000237692076 395917656 /nfs/dbraw/zinc/91/76/56/395917656.db2.gz XYOWXAVLEVWYQS-NEPJUHHUSA-N 1 0 305.382 0.113 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(Cl)nc2)C1 ZINC000055383146 395918279 /nfs/dbraw/zinc/91/82/79/395918279.db2.gz UMYWZEYCYAJIFY-NSHDSACASA-N 1 0 310.785 0.549 50 0 DCAARO O[C@H]1CN(Cc2nc(-c3ccco3)no2)C[C@@H]1N1CCOCC1 ZINC000244874260 395926096 /nfs/dbraw/zinc/92/60/96/395926096.db2.gz WXOLLMXPFQFYFI-RYUDHWBXSA-N 1 0 320.349 0.207 50 0 DCAARO C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@H](C)S1 ZINC000229343553 395873755 /nfs/dbraw/zinc/87/37/55/395873755.db2.gz COGPWVPAVZTIRY-XQQFMLRXSA-N 1 0 300.472 0.768 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C)CC1 ZINC000229308012 395873826 /nfs/dbraw/zinc/87/38/26/395873826.db2.gz QWLHFSVJICFTCZ-GOEBONIOSA-N 1 0 322.453 0.093 50 0 DCAARO COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000229436862 395874457 /nfs/dbraw/zinc/87/44/57/395874457.db2.gz KMYBPKHNDOFTBA-GXTWGEPZSA-N 1 0 319.405 0.550 50 0 DCAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000229516711 395874713 /nfs/dbraw/zinc/87/47/13/395874713.db2.gz JLIDIHWWLSPUQU-HOTGVXAUSA-N 1 0 322.453 0.867 50 0 DCAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000229554633 395875710 /nfs/dbraw/zinc/87/57/10/395875710.db2.gz DYKGYJZWIHBTBU-QLFBSQMISA-N 1 0 310.398 0.299 50 0 DCAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000246837207 395958829 /nfs/dbraw/zinc/95/88/29/395958829.db2.gz CXARFAHOHLXJRA-AAEUAGOBSA-N 1 0 323.418 0.643 50 0 DCAARO Cn1c(C[N@@H+]2CCN(C)c3ccccc3C2)cc(=O)n(C)c1=O ZINC000065530911 395993908 /nfs/dbraw/zinc/99/39/08/395993908.db2.gz QBWPUDPZTIYARN-UHFFFAOYSA-N 1 0 314.389 0.536 50 0 DCAARO CC(C)n1cnnc1CN(C)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C ZINC000252540320 396023133 /nfs/dbraw/zinc/02/31/33/396023133.db2.gz PCSTUUOTEBROQI-HAQNSBGRSA-N 1 0 318.429 0.824 50 0 DCAARO C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)N1CCOC[C@H]1C ZINC000252585284 396023319 /nfs/dbraw/zinc/02/33/19/396023319.db2.gz HNWKSRUFXALGBP-KFWWJZLASA-N 1 0 312.458 0.689 50 0 DCAARO C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1Cc1nccn1C ZINC000252672436 396024302 /nfs/dbraw/zinc/02/43/02/396024302.db2.gz QCSLQIRTUHZUKY-LSDHHAIUSA-N 1 0 307.442 0.257 50 0 DCAARO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)C[C@H](C)[NH2+]1 ZINC000153437946 396025003 /nfs/dbraw/zinc/02/50/03/396025003.db2.gz IOQNARWKYQEWQI-VNHYZAJKSA-N 1 0 324.446 0.851 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cn2cccc(C)c2n1 ZINC000067587568 396028428 /nfs/dbraw/zinc/02/84/28/396028428.db2.gz LQQRSWPXPFIKOG-YPMHNXCESA-N 1 0 315.377 0.321 50 0 DCAARO O=C(N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1cccc(=O)[nH]1 ZINC000253535545 396029355 /nfs/dbraw/zinc/02/93/55/396029355.db2.gz BDJOQTNMUBACEI-HUBLWGQQSA-N 1 0 305.378 0.656 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2n[nH]nc2c1 ZINC000067690765 396031038 /nfs/dbraw/zinc/03/10/38/396031038.db2.gz OJWAUEUKRTZCQP-GWCFXTLKSA-N 1 0 316.365 0.024 50 0 DCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1cccnc1 ZINC000067727106 396031748 /nfs/dbraw/zinc/03/17/48/396031748.db2.gz DENHEINATKKUSO-KBPBESRZSA-N 1 0 304.394 0.467 50 0 DCAARO COc1cc2cc(C[N@H+](C)C[C@@H](O)CO)c(=O)[nH]c2cc1OC ZINC000067713348 396031862 /nfs/dbraw/zinc/03/18/62/396031862.db2.gz IMSXEZGKZVYAPR-GFCCVEGCSA-N 1 0 322.361 0.330 50 0 DCAARO C[C@H](NC(=O)c1ccncc1F)c1nnc2n1CC[NH2+]CC2 ZINC000067756377 396033451 /nfs/dbraw/zinc/03/34/51/396033451.db2.gz UYMSGWXGCWUTBU-VIFPVBQESA-N 1 0 304.329 0.449 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(OC)c1O ZINC000067816919 396034691 /nfs/dbraw/zinc/03/46/91/396034691.db2.gz UTDIXZQUFNMEOJ-ONGXEEELSA-N 1 0 307.350 0.079 50 0 DCAARO COCCN1CCC[C@@](O)(C[NH2+]Cc2c(C)noc2C)C1=O ZINC000067841547 396036336 /nfs/dbraw/zinc/03/63/36/396036336.db2.gz MBCSUZSDOIIXFZ-OAHLLOKOSA-N 1 0 311.382 0.381 50 0 DCAARO C[N@H+](CCO)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067854839 396036466 /nfs/dbraw/zinc/03/64/66/396036466.db2.gz KCSLPASBYOCAOB-GOSISDBHSA-N 1 0 320.433 0.897 50 0 DCAARO CCCOCC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000066342673 396005794 /nfs/dbraw/zinc/00/57/94/396005794.db2.gz XHLGZYPYGSCOJS-UHFFFAOYSA-N 1 0 306.410 0.876 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000249703435 396011535 /nfs/dbraw/zinc/01/15/35/396011535.db2.gz ZXJQMAQVELKZHL-MGPQQGTHSA-N 1 0 314.451 0.896 50 0 DCAARO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000069870584 396092683 /nfs/dbraw/zinc/09/26/83/396092683.db2.gz LVUPGCRSRHRDQM-NEPJUHHUSA-N 1 0 318.377 0.921 50 0 DCAARO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](Cn3cncn3)C2)C1=O ZINC000069899213 396093618 /nfs/dbraw/zinc/09/36/18/396093618.db2.gz YVIFYLYQWHMURC-LBPRGKRZSA-N 1 0 320.397 0.321 50 0 DCAARO CCCc1noc(CCC(=O)N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000069876354 396093659 /nfs/dbraw/zinc/09/36/59/396093659.db2.gz QPAGCTYRBPTNLB-UHFFFAOYSA-N 1 0 324.425 0.870 50 0 DCAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000069930061 396095260 /nfs/dbraw/zinc/09/52/60/396095260.db2.gz LCBWPUKLROQWCH-ZDUSSCGKSA-N 1 0 300.428 0.629 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCCS(C)(=O)=O ZINC000069924126 396095460 /nfs/dbraw/zinc/09/54/60/396095460.db2.gz JSTBYRSMTWHRHU-KGLIPLIRSA-N 1 0 302.440 0.896 50 0 DCAARO c1nc2n(n1)C[C@H]([NH2+]CCCc1nnnn1-c1ccccc1)CC2 ZINC000069951550 396096529 /nfs/dbraw/zinc/09/65/29/396096529.db2.gz MDBUMTGJOPSOBG-CYBMUJFWSA-N 1 0 324.392 0.791 50 0 DCAARO CC[C@H]1CN(C(=O)Cc2nc3nc(C)cc(C)n3n2)CC[NH2+]1 ZINC000071615255 396114648 /nfs/dbraw/zinc/11/46/48/396114648.db2.gz SVJSUTBRVSBIHM-LBPRGKRZSA-N 1 0 302.382 0.494 50 0 DCAARO COc1cc[nH+]c(N2CCN(C(=O)Cc3cnn(C)c3)CC2)c1 ZINC000171564651 396119060 /nfs/dbraw/zinc/11/90/60/396119060.db2.gz LTGQCDORZOGPHQ-UHFFFAOYSA-N 1 0 315.377 0.715 50 0 DCAARO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C)c2)C1 ZINC000071920361 396125696 /nfs/dbraw/zinc/12/56/96/396125696.db2.gz ZMVXJITVWZGGBJ-CQSZACIVSA-N 1 0 305.378 0.770 50 0 DCAARO CCn1ccnc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000072300542 396130696 /nfs/dbraw/zinc/13/06/96/396130696.db2.gz WYTLUMXEHPGCAE-NWDGAFQWSA-N 1 0 300.428 0.663 50 0 DCAARO Cc1nnc2n1CCN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C2 ZINC000069529259 396081974 /nfs/dbraw/zinc/08/19/74/396081974.db2.gz ARFYYGWRRDGGPC-INIZCTEOSA-N 1 0 315.421 0.895 50 0 DCAARO CCN1CCN(C2CC[NH+](CCN3CCCC3=O)CC2)C1=O ZINC000069536238 396082623 /nfs/dbraw/zinc/08/26/23/396082623.db2.gz MUJFYEIMRNFYNO-UHFFFAOYSA-N 1 0 308.426 0.831 50 0 DCAARO CCn1nc(C)c(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@@H]2C)c1C ZINC000076058225 396195165 /nfs/dbraw/zinc/19/51/65/396195165.db2.gz ZJCVWROAHABVOS-CABZTGNLSA-N 1 0 300.428 0.748 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000178605235 396200863 /nfs/dbraw/zinc/20/08/63/396200863.db2.gz QRAYXYAOCBGAGG-KXUCPTDWSA-N 1 0 307.316 0.654 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2)C1 ZINC000078602752 396249364 /nfs/dbraw/zinc/24/93/64/396249364.db2.gz FFNWAGVGKLJCLW-CYBMUJFWSA-N 1 0 306.366 0.247 50 0 DCAARO [NH3+]CCn1cc(C(=O)NCc2coc(-c3ccccc3)n2)nn1 ZINC000077287949 396217064 /nfs/dbraw/zinc/21/70/64/396217064.db2.gz RPEHIPJWWBZWED-UHFFFAOYSA-N 1 0 312.333 0.822 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCCN(Cc2ccccc2F)CC1 ZINC000077343144 396219525 /nfs/dbraw/zinc/21/95/25/396219525.db2.gz PXBBSPZZLKJHDS-ZBFHGGJFSA-N 1 0 321.396 0.583 50 0 DCAARO O[C@@]1(C[NH+]2CCCC2)COCCN(c2ncnc3c2CCC3)C1 ZINC000077423202 396222530 /nfs/dbraw/zinc/22/25/30/396222530.db2.gz PMWYXTMNAGUYOL-QGZVFWFLSA-N 1 0 318.421 0.629 50 0 DCAARO O=C(CCc1ccco1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077427583 396222533 /nfs/dbraw/zinc/22/25/33/396222533.db2.gz LRUPZTVNHGODQD-KRWDZBQOSA-N 1 0 322.405 0.898 50 0 DCAARO CC[NH+]1CCN(CC(=O)NCCC(=O)Nc2ccccc2)CC1 ZINC000081401019 396300161 /nfs/dbraw/zinc/30/01/61/396300161.db2.gz PYXRMBJPPQLIJH-UHFFFAOYSA-N 1 0 318.421 0.769 50 0 DCAARO O=C(C[C@H]1COCC[NH2+]1)Nc1nncn1Cc1ccccc1 ZINC000581248934 396537838 /nfs/dbraw/zinc/53/78/38/396537838.db2.gz JYYDQISFZKYHFG-ZDUSSCGKSA-N 1 0 301.350 0.643 50 0 DCAARO CCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c1C ZINC000584887136 396632080 /nfs/dbraw/zinc/63/20/80/396632080.db2.gz JUOSVHWMUOPXOB-KBPBESRZSA-N 1 0 306.410 0.952 50 0 DCAARO COC(=O)c1cc(O)cc(C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000584890202 396633461 /nfs/dbraw/zinc/63/34/61/396633461.db2.gz IYLBGKNMBVHVBA-UHFFFAOYSA-N 1 0 322.361 0.365 50 0 DCAARO C[C@@H](O)[C@H](O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000585140258 396641487 /nfs/dbraw/zinc/64/14/87/396641487.db2.gz AXWAMOGQHHUWOQ-UKRRQHHQSA-N 1 0 308.378 0.935 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1 ZINC000132318689 196245779 /nfs/dbraw/zinc/24/57/79/196245779.db2.gz ALFQCLLXZKSBOT-IUODEOHRSA-N 1 0 307.369 0.759 50 0 DCAARO CC[NH+]1CCN(c2nc3nonc3nc2N2CCCC2)CC1 ZINC000011874247 415151278 /nfs/dbraw/zinc/15/12/78/415151278.db2.gz FVHAQNXVRRAAML-UHFFFAOYSA-N 1 0 303.370 0.755 50 0 DCAARO NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044935865 415235381 /nfs/dbraw/zinc/23/53/81/415235381.db2.gz DVKWDFHYPXTUCR-NSHDSACASA-N 1 0 323.418 0.548 50 0 DCAARO C[C@@H](Cn1cccn1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000044954801 415238377 /nfs/dbraw/zinc/23/83/77/415238377.db2.gz QNBJXQBGXSFXFL-UONOGXRCSA-N 1 0 309.414 0.418 50 0 DCAARO CC(C)N1C[C@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000047429168 415269637 /nfs/dbraw/zinc/26/96/37/415269637.db2.gz GLIUOZPQVVKBCB-CQSZACIVSA-N 1 0 316.405 0.987 50 0 DCAARO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000069870589 415405759 /nfs/dbraw/zinc/40/57/59/415405759.db2.gz LVUPGCRSRHRDQM-VXGBXAGGSA-N 1 0 318.377 0.921 50 0 DCAARO C[N@@H+]1CCN(c2nc3c(cc2C(N)=O)CCC3)C[C@@H]1CCO ZINC000072408636 415412309 /nfs/dbraw/zinc/41/23/09/415412309.db2.gz LJQGVRTXVYHGSL-LBPRGKRZSA-N 1 0 304.394 0.172 50 0 DCAARO CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2ccncc2)CC1 ZINC000067581250 415381006 /nfs/dbraw/zinc/38/10/06/415381006.db2.gz UHHLFRDKTJFQKK-HNNXBMFYSA-N 1 0 306.410 0.974 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000067818653 415386104 /nfs/dbraw/zinc/38/61/04/415386104.db2.gz QCFITTCCEDQAPS-GWCFXTLKSA-N 1 0 303.366 0.707 50 0 DCAARO CC(C)[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CC[NH2+]CC2 ZINC000067867484 415390028 /nfs/dbraw/zinc/39/00/28/415390028.db2.gz NDSWTWRQXJHWDR-CQSZACIVSA-N 1 0 321.425 0.664 50 0 DCAARO CC(C)C[C@@H]1COCCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000079306080 415469251 /nfs/dbraw/zinc/46/92/51/415469251.db2.gz PVHYDBLAXPSOOG-HUUCEWRRSA-N 1 0 312.458 0.689 50 0 DCAARO CN(C)C(=O)CSc1nc(N)cc(N2CCC[N@H+](C)CC2)n1 ZINC000091586702 415536612 /nfs/dbraw/zinc/53/66/12/415536612.db2.gz KAKKQIRGABAPHY-UHFFFAOYSA-N 1 0 324.454 0.381 50 0 DCAARO COCCc1nc(CNC(=O)C2CC[NH+](C(C)C)CC2)no1 ZINC000095368526 415552974 /nfs/dbraw/zinc/55/29/74/415552974.db2.gz JBINSUIJOKEZON-UHFFFAOYSA-N 1 0 310.398 0.995 50 0 DCAARO CC(C)[NH+]1CCC(C(=O)N(CCO)Cc2nccn2C)CC1 ZINC000095367545 415553872 /nfs/dbraw/zinc/55/38/72/415553872.db2.gz BVUGEXIBDRQFJY-UHFFFAOYSA-N 1 0 308.426 0.861 50 0 DCAARO CCN1CC[NH+](C[C@@H]2CN(c3ccc(F)cn3)C[C@@H]2CO)CC1 ZINC000095372945 415558423 /nfs/dbraw/zinc/55/84/23/415558423.db2.gz ZIOKQFRZFFACNX-HUUCEWRRSA-N 1 0 322.428 0.903 50 0 DCAARO CC(=O)N1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000095971452 415570122 /nfs/dbraw/zinc/57/01/22/415570122.db2.gz MQKODBDQGNAWQW-UHFFFAOYSA-N 1 0 301.390 0.564 50 0 DCAARO Cc1cc(NC(=O)CCN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)no1 ZINC000284887115 415602122 /nfs/dbraw/zinc/60/21/22/415602122.db2.gz QYQIXKHMOVNMBK-STQMWFEESA-N 1 0 308.382 0.717 50 0 DCAARO Cc1n[nH]c(C)c1C[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000097159237 415587099 /nfs/dbraw/zinc/58/70/99/415587099.db2.gz JKYCFQWTTLGBEM-UHFFFAOYSA-N 1 0 315.425 0.728 50 0 DCAARO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000354043991 415727029 /nfs/dbraw/zinc/72/70/29/415727029.db2.gz QJJWOGKURYXPAY-UHFFFAOYSA-N 1 0 317.436 0.562 50 0 DCAARO Cc1nc(CCN(C)C(=O)CC[N@H+](C)[C@H]2CCN(C)C2)no1 ZINC000299801005 416071671 /nfs/dbraw/zinc/07/16/71/416071671.db2.gz UQQXRNPWEGIURM-ZDUSSCGKSA-N 1 0 309.414 0.405 50 0 DCAARO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000171164366 416038315 /nfs/dbraw/zinc/03/83/15/416038315.db2.gz XUSPAQCADCUQCS-CQSZACIVSA-N 1 0 318.425 0.793 50 0 DCAARO O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1C[NH2+]CCO1 ZINC000188065209 416262381 /nfs/dbraw/zinc/26/23/81/416262381.db2.gz YNOCFAQTIFEOJD-SNVBAGLBSA-N 1 0 319.283 0.627 50 0 DCAARO CC(=O)N1CCN(Cc2cccc(NC(=O)CN(C)C)c2)CC1 ZINC000190154301 416276387 /nfs/dbraw/zinc/27/63/87/416276387.db2.gz UHHZFTACDAUJPZ-UHFFFAOYSA-N 1 0 318.421 0.851 50 0 DCAARO C[N@H+](CC(=O)N[C@@H]1CCCCNC1=O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000241135469 416329905 /nfs/dbraw/zinc/32/99/05/416329905.db2.gz JPNYSYGHSKQWEQ-CTHBEMJXSA-N 1 0 323.437 0.517 50 0 DCAARO CC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000241644554 416329994 /nfs/dbraw/zinc/32/99/94/416329994.db2.gz PRSPKIQDCYETBX-NWDGAFQWSA-N 1 0 303.428 0.062 50 0 DCAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC000241126098 416330198 /nfs/dbraw/zinc/33/01/98/416330198.db2.gz JJMNFYLBPBRASN-HYVNUMGLSA-N 1 0 317.433 0.954 50 0 DCAARO Cc1nc([C@@H]2CCCN2S(=O)(=O)CC[NH+]2CCCC2)no1 ZINC000242147527 416330415 /nfs/dbraw/zinc/33/04/15/416330415.db2.gz WSKZFNKVHLPACM-LBPRGKRZSA-N 1 0 314.411 0.941 50 0 DCAARO O=C(CCc1cn[nH]c1)N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244633565 416330419 /nfs/dbraw/zinc/33/04/19/416330419.db2.gz GFCSXMOZQUQZBH-DZKIICNBSA-N 1 0 306.410 0.598 50 0 DCAARO COc1cc(=O)n2c(c1C(=O)NCC[NH+](C)C)CCCCC2 ZINC000583648823 416480187 /nfs/dbraw/zinc/48/01/87/416480187.db2.gz WHSLTIFVUXDZJW-UHFFFAOYSA-N 1 0 307.394 0.875 50 0 DCAARO Nc1n[nH]c(CCNC(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000534653722 416506311 /nfs/dbraw/zinc/50/63/11/416506311.db2.gz CNPDZKUTMVGBPZ-NSHDSACASA-N 1 0 306.414 0.700 50 0 DCAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCc2nc(N)nc(N(C)C)n2)C1 ZINC000426374424 416764543 /nfs/dbraw/zinc/76/45/43/416764543.db2.gz SQFCBSNJSZBUPU-OAHLLOKOSA-N 1 0 321.429 0.258 50 0 DCAARO Cc1ccccc1N1CCCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000077518222 292631244 /nfs/dbraw/zinc/63/12/44/292631244.db2.gz UBQNOTLWRLHVJP-CABCVRRESA-N 1 0 303.406 0.757 50 0 DCAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1 ZINC000299739404 229372717 /nfs/dbraw/zinc/37/27/17/229372717.db2.gz OBGOPLDIICJIMW-HNNXBMFYSA-N 1 0 303.406 0.940 50 0 DCAARO COC(=O)CN1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000411563265 262173586 /nfs/dbraw/zinc/17/35/86/262173586.db2.gz QJMJKBDNQPYMFK-UHFFFAOYSA-N 1 0 323.368 0.945 50 0 DCAARO C[NH2+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(OCC(N)=O)cc1 ZINC000493448621 272189810 /nfs/dbraw/zinc/18/98/10/272189810.db2.gz IPMOGJVEAAWWLS-DEBLGDTFSA-N 1 0 317.389 0.774 50 0 DCAARO CC[NH+]1CCC(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)CC1 ZINC000299759625 276148735 /nfs/dbraw/zinc/14/87/35/276148735.db2.gz MGTIAVILFXMEAW-LSDHHAIUSA-N 1 0 319.409 0.682 50 0 DCAARO CC(C)N(C)Cc1nnnn1CC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000012111746 279384796 /nfs/dbraw/zinc/38/47/96/279384796.db2.gz LTFHFBWWMRAZKD-ZDUSSCGKSA-N 1 0 323.445 0.114 50 0 DCAARO Cc1nc2c(cnn2C)c(N[C@@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000095388879 282019433 /nfs/dbraw/zinc/01/94/33/282019433.db2.gz NITQOVAQBGYNPA-NSHDSACASA-N 1 0 302.382 0.995 50 0 DCAARO C[C@H]1CCCN(S(=O)(=O)c2cn(C)c(Cl)n2)[C@H]1C[NH3+] ZINC000328599880 290452431 /nfs/dbraw/zinc/45/24/31/290452431.db2.gz UGXAYAPBFPXFKH-IUCAKERBSA-N 1 0 306.819 0.821 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])[C@H](C)CO1 ZINC000299738443 297049507 /nfs/dbraw/zinc/04/95/07/297049507.db2.gz ATMYTQDOYWUOHP-UMSGYPCISA-N 1 0 305.444 0.400 50 0 DCAARO Cc1cc(N2CC[C@H]([NH+](C)C)[C@H](CCC(=O)[O-])C2)nc(N)[nH+]1 ZINC000095365958 332169486 /nfs/dbraw/zinc/16/94/86/332169486.db2.gz QPCQYALGAPGETH-NEPJUHHUSA-N 1 0 307.398 0.989 50 0 DCAARO CN(C)C(=O)N1CCC(C(=O)N2C[C@@H]3CC[C@H]2C[NH2+]C3)CC1 ZINC000534584076 334288227 /nfs/dbraw/zinc/28/82/27/334288227.db2.gz FUUWSZNPFPUKTP-OCCSQVGLSA-N 1 0 308.426 0.590 50 0 DCAARO NC(=O)c1nc(CNC2CC[NH+](Cc3ccco3)CC2)no1 ZINC000534580804 334289192 /nfs/dbraw/zinc/28/91/92/334289192.db2.gz YSEBZUMKJVHCRV-UHFFFAOYSA-N 1 0 305.338 0.516 50 0 DCAARO [NH3+]CC[C@H]1CN(S(=O)(=O)c2ccc3[nH]cnc3c2)CCO1 ZINC000534588390 334293269 /nfs/dbraw/zinc/29/32/69/334293269.db2.gz ZFPNGGTXMDTKFR-JTQLQIEISA-N 1 0 310.379 0.301 50 0 DCAARO COc1cc2c(cc1OC)C(=O)N1C[C@H]([NH+](C)C)C[C@H]1C(=O)N2 ZINC000534656771 334314084 /nfs/dbraw/zinc/31/40/84/334314084.db2.gz UVAOVLAOTCAPDJ-SKDRFNHKSA-N 1 0 319.361 0.801 50 0 DCAARO Cc1ccccc1[C@H](CNC(=O)CNS(C)(=O)=O)[NH+](C)C ZINC000534658213 334314537 /nfs/dbraw/zinc/31/45/37/334314537.db2.gz KHIIVTOGABNAPH-ZDUSSCGKSA-N 1 0 313.423 0.263 50 0 DCAARO CCn1ncc(C[NH2+][C@@H](C)CNS(=O)(=O)C2CC2)c1C ZINC000534649222 334316778 /nfs/dbraw/zinc/31/67/78/334316778.db2.gz XAENYGMLOUQVFJ-JTQLQIEISA-N 1 0 300.428 0.771 50 0 DCAARO [NH3+]CCCOc1ccc(C(=O)NCC2(CO)CCOCC2)cc1 ZINC000299802132 534617425 /nfs/dbraw/zinc/61/74/25/534617425.db2.gz XFLVVYSCPUXOIG-UHFFFAOYSA-N 1 0 322.405 0.933 50 0 DCAARO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC[C@H]([NH3+])C1)CC2 ZINC000237394074 522299117 /nfs/dbraw/zinc/29/91/17/522299117.db2.gz WJRXCIIGMGZTAZ-RYUDHWBXSA-N 1 0 323.418 0.611 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C1 ZINC000132757531 522381103 /nfs/dbraw/zinc/38/11/03/522381103.db2.gz YNHQOWLILMPDKJ-VIIAAUOXSA-N 1 0 317.389 0.774 50 0 DCAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000157842882 527400577 /nfs/dbraw/zinc/40/05/77/527400577.db2.gz MJAYYHAPBBGFRT-LBPRGKRZSA-N 1 0 316.336 0.935 50 0 DCAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[NH2+]CC2)[nH]n1 ZINC000237722620 527601664 /nfs/dbraw/zinc/60/16/64/527601664.db2.gz LDUDBMTWTCVZSR-UHFFFAOYSA-N 1 0 302.382 0.863 50 0 DCAARO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(-n2cnnn2)cc1 ZINC000090466446 545716203 /nfs/dbraw/zinc/71/62/03/545716203.db2.gz YPUGAJXNCXJVRY-BXUZGUMPSA-N 1 0 321.406 0.890 50 0 DCAARO CCn1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)cn1 ZINC000670469338 547100295 /nfs/dbraw/zinc/10/02/95/547100295.db2.gz SENASGSAFXTVQA-GFCCVEGCSA-N 1 0 316.427 0.028 50 0 DCAARO [NH3+][C@H]1COC[C@H]1Oc1cnn(Cc2nnc3n2CCCCC3)c1 ZINC000685942335 548747658 /nfs/dbraw/zinc/74/76/58/548747658.db2.gz IXPKRRAOBMFUTI-QWHCGFSZSA-N 1 0 318.381 0.354 50 0 DCAARO C[C@@H](CCC(=O)N1CCN(c2nc[nH]n2)CC1)[NH+]1CCCC1 ZINC000426509618 661606326 /nfs/dbraw/zinc/60/63/26/661606326.db2.gz YWMQOGPNMSQXHM-ZDUSSCGKSA-N 1 0 306.414 0.718 50 0 DCAARO COCCN1C[C@H](C[N@H+](C)CCc2c(C)n[nH]c2C)CC1=O ZINC000299774010 662679134 /nfs/dbraw/zinc/67/91/34/662679134.db2.gz DOQQCSDXDCTKIC-AWEZNQCLSA-N 1 0 308.426 0.996 50 0 DCAARO CCOC(=O)c1[nH]c(=O)[nH]c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000067723893 665119004 /nfs/dbraw/zinc/11/90/04/665119004.db2.gz CIALPVNHWPWWJA-NSHDSACASA-N 1 0 308.382 0.550 50 0 DCAARO O=C1N(CC2CC2)CCC[C@@]1(O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000012316510 666349275 /nfs/dbraw/zinc/34/92/75/666349275.db2.gz KJBBLGVBUZVRKZ-MRXNPFEDSA-N 1 0 304.394 0.531 50 0 DCAARO COc1cccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1O ZINC000863947753 667196218 /nfs/dbraw/zinc/19/62/18/667196218.db2.gz DZSUJIGRKFYXPM-DGCLKSJQSA-N 1 0 307.394 0.765 50 0 DCAARO Cc1nc(CNC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)sc1C ZINC000952972205 685600228 /nfs/dbraw/zinc/60/02/28/685600228.db2.gz ZWBWNRRNBZCOST-LLVKDONJSA-N 1 0 310.423 0.573 50 0 DCAARO CC[NH+]1CCN(CC(=O)N(C)[C@@H](COC)c2ccccn2)CC1 ZINC000952977085 685601035 /nfs/dbraw/zinc/60/10/35/685601035.db2.gz OJIBKAYOPSZYGS-INIZCTEOSA-N 1 0 320.437 0.865 50 0 DCAARO C[NH+](C)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cn[nH]c1 ZINC000952984681 685601779 /nfs/dbraw/zinc/60/17/79/685601779.db2.gz LYFZHSPVXATSEF-NSHDSACASA-N 1 0 302.400 0.141 50 0 DCAARO Cc1cc(C)n(CCC[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)n1 ZINC000023360991 685052582 /nfs/dbraw/zinc/05/25/82/685052582.db2.gz QZCJJYBYJKIQHE-HOTGVXAUSA-N 1 0 308.426 0.267 50 0 DCAARO Cc1cncc(C(=O)N[C@]2(C)CCOC3(CC[NH2+]CC3)[C@H]2O)c1 ZINC001704299189 1179964681 /nfs/dbraw/zinc/96/46/81/1179964681.db2.gz NZCWGZJKFMBSIW-JKSUJKDBSA-N 1 0 319.405 0.782 50 0 DCAARO C[N@@H+]1CCC[C@]2(CO)CCN(c3cc(C(N)=O)ccn3)C[C@@H]12 ZINC001704308008 1179967369 /nfs/dbraw/zinc/96/73/69/1179967369.db2.gz CBNHSGHKQVGXIB-CZUORRHYSA-N 1 0 304.394 0.464 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(Cc1ccc(OCCO)cc1)C2 ZINC001704314525 1179971406 /nfs/dbraw/zinc/97/14/06/1179971406.db2.gz UNMOMRBZWBDKCN-HOTGVXAUSA-N 1 0 306.406 0.820 50 0 DCAARO COc1cc(N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)nc(OC)n1 ZINC001704331758 1179974759 /nfs/dbraw/zinc/97/47/59/1179974759.db2.gz UPZPONIPHWCXQK-MLGOLLRUSA-N 1 0 322.409 0.777 50 0 DCAARO OC[C@@]1(O)CCOC2(CC[NH+](CCCn3cccn3)CC2)C1 ZINC001704336357 1179977922 /nfs/dbraw/zinc/97/79/22/1179977922.db2.gz MCLGPQMCTFAYPQ-OAHLLOKOSA-N 1 0 309.410 0.642 50 0 DCAARO Cc1cnc(C(=O)N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)cn1 ZINC001704345293 1179980619 /nfs/dbraw/zinc/98/06/19/1179980619.db2.gz WPCJTBCLWIFKDI-GDBMZVCRSA-N 1 0 304.394 0.704 50 0 DCAARO COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@@H]([NH+](C)C)CN3C2=O)cc1 ZINC000824673662 758780738 /nfs/dbraw/zinc/78/07/38/758780738.db2.gz UUICOTOCRWLKFC-SNPRPXQTSA-N 1 0 317.389 0.267 50 0 DCAARO O=C(C[NH+]1CCCC1)N1CCC[C@H](CNC(=O)c2ccon2)C1 ZINC000827928174 758901429 /nfs/dbraw/zinc/90/14/29/758901429.db2.gz CADSFQAMHGQHCQ-CYBMUJFWSA-N 1 0 320.393 0.739 50 0 DCAARO CC(C)N(C)S(=O)(=O)N1CCC[C@](CO)(C[NH+](C)C)C1 ZINC000828690472 759066134 /nfs/dbraw/zinc/06/61/34/759066134.db2.gz RSURSKUJZJFBNW-ZDUSSCGKSA-N 1 0 307.460 0.208 50 0 DCAARO C[C@H](CN(C)CCO)[NH2+]CCn1[nH]c(=O)c2ccccc2c1=O ZINC000828757331 759101104 /nfs/dbraw/zinc/10/11/04/759101104.db2.gz VWOLDOOHNYMDKX-GFCCVEGCSA-N 1 0 320.393 0.004 50 0 DCAARO O=C(C[NH+]1CCCC1)NC[C@@H]1CCCN(c2cnsn2)C1 ZINC000952868825 768924590 /nfs/dbraw/zinc/92/45/90/768924590.db2.gz BCSBFFOISZJJNW-LBPRGKRZSA-N 1 0 309.439 0.967 50 0 DCAARO CN(C)c1nccnc1N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001506397168 1017252084 /nfs/dbraw/zinc/25/20/84/1017252084.db2.gz IJCUULLUSLCMDI-OAHLLOKOSA-N 1 0 316.453 0.759 50 0 DCAARO O=C(CN1CCC[NH2+]CC1)Nc1nnc([C@H]2CCCO2)s1 ZINC001506420266 1017266299 /nfs/dbraw/zinc/26/62/99/1017266299.db2.gz ADBXFRDKWPEOQJ-SNVBAGLBSA-N 1 0 311.411 0.623 50 0 DCAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(Cc1ncc[nH]1)C2 ZINC000221442177 282133472 /nfs/dbraw/zinc/13/34/72/282133472.db2.gz FPLUJLHYXKVNIA-AWEZNQCLSA-N 1 0 304.398 0.607 50 0 DCAARO C[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)C[C@H]1[NH+](C)C ZINC000078894739 185124064 /nfs/dbraw/zinc/12/40/64/185124064.db2.gz ONTWNBGLUXZOKG-BXUZGUMPSA-N 1 0 315.377 0.200 50 0 DCAARO COc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1OC ZINC000007374608 190628666 /nfs/dbraw/zinc/62/86/66/190628666.db2.gz UJUPDHRRZWPYFW-UHFFFAOYSA-N 1 0 302.396 0.934 50 0 DCAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1ccc2nccnc2c1 ZINC000082120321 192358615 /nfs/dbraw/zinc/35/86/15/192358615.db2.gz PMXRDVDTXQMOGC-UHFFFAOYSA-N 1 0 308.345 0.860 50 0 DCAARO CS(=O)(=O)c1cnn2cc(CN3CCCC[C@H]([NH3+])C3)cnc12 ZINC000082127518 192358851 /nfs/dbraw/zinc/35/88/51/192358851.db2.gz WZWBRYRALCIUSB-LBPRGKRZSA-N 1 0 323.422 0.446 50 0 DCAARO Cc1n[nH]c(C)c1CCCNc1nc2c(c(=O)[nH]1)CC[NH2+]C2 ZINC000082125803 192358961 /nfs/dbraw/zinc/35/89/61/192358961.db2.gz SUOXDTSVUGTZNT-UHFFFAOYSA-N 1 0 302.382 0.800 50 0 DCAARO Cc1cnc(C[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cn1 ZINC000095402715 185354942 /nfs/dbraw/zinc/35/49/42/185354942.db2.gz HKFYXZIWBNHMHQ-NSHDSACASA-N 1 0 300.366 0.987 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(OC)c(COC)c1 ZINC000067515375 190710464 /nfs/dbraw/zinc/71/04/64/190710464.db2.gz KMDMUDXHBYAROR-OLZOCXBDSA-N 1 0 321.377 0.129 50 0 DCAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(OC)c(OC)cc1F ZINC000067880342 190730188 /nfs/dbraw/zinc/73/01/88/190730188.db2.gz YOJJJALWXWBOPA-PWSUYJOCSA-N 1 0 311.357 0.491 50 0 DCAARO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)CC2 ZINC000069975959 190846324 /nfs/dbraw/zinc/84/63/24/190846324.db2.gz QBERJFGKPFPSBS-KBPBESRZSA-N 1 0 302.378 0.931 50 0 DCAARO O=C(NCCc1csc(-c2cccnc2)n1)[C@@H]1C[NH2+]CCO1 ZINC000071738560 191019793 /nfs/dbraw/zinc/01/97/93/191019793.db2.gz AWHDPKPRPFXEIZ-ZDUSSCGKSA-N 1 0 318.402 0.852 50 0 DCAARO c1cc(-c2ccc(CN3CCO[C@]4(C3)C[NH2+]CCOC4)o2)n[nH]1 ZINC000072129098 191043895 /nfs/dbraw/zinc/04/38/95/191043895.db2.gz YEXDGUFSOFHAJH-INIZCTEOSA-N 1 0 318.377 0.861 50 0 DCAARO COc1cccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCOC2)c1 ZINC000072147480 191053349 /nfs/dbraw/zinc/05/33/49/191053349.db2.gz NOLCBQFQECQMQF-NSHDSACASA-N 1 0 300.380 0.210 50 0 DCAARO C[NH+](C)C[C@]1(O)CCN(C(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000072148342 191054373 /nfs/dbraw/zinc/05/43/73/191054373.db2.gz GIFKJAVGEXPVNW-QGZVFWFLSA-N 1 0 320.389 0.873 50 0 DCAARO Cc1nc(CNC(=O)C[C@H]2COCC[NH2+]2)nc2c1CCCC2 ZINC000072167829 191066007 /nfs/dbraw/zinc/06/60/07/191066007.db2.gz XSBLOVNAKKTURM-LBPRGKRZSA-N 1 0 304.394 0.659 50 0 DCAARO CN(CC(=O)N1CCC[C@](O)(CO)CC1)Cc1ccccc1F ZINC000072167182 191066368 /nfs/dbraw/zinc/06/63/68/191066368.db2.gz SSNNUDULPMKSCF-QGZVFWFLSA-N 1 0 324.396 0.993 50 0 DCAARO CC(C)c1ccc(C(=O)NC[C@@]2(O)CCC[NH2+]CC2)c(=O)n1C ZINC000072171154 191069013 /nfs/dbraw/zinc/06/90/13/191069013.db2.gz MVABWIVJPPJDOP-QGZVFWFLSA-N 1 0 321.421 0.743 50 0 DCAARO Cc1ccc(N2CCC[C@H]([NH2+]CCCS(C)(=O)=O)C2)nn1 ZINC000072276675 191099152 /nfs/dbraw/zinc/09/91/52/191099152.db2.gz IAUBYQVXFAMRIX-ZDUSSCGKSA-N 1 0 312.439 0.778 50 0 DCAARO C[NH+]1CCN(c2ccccc2NC(=O)NCC[S@](C)=O)CC1 ZINC000072287573 191105718 /nfs/dbraw/zinc/10/57/18/191105718.db2.gz BHHJNBCYGGACOX-JOCHJYFZSA-N 1 0 324.450 0.938 50 0 DCAARO C[C@@H]1CCCN(C(=O)COc2ccc(CC(N)=O)cc2)[C@@H]1C[NH3+] ZINC000237501768 186298332 /nfs/dbraw/zinc/29/83/32/186298332.db2.gz FUFCYENRAUWWQX-IUODEOHRSA-N 1 0 319.405 0.679 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1Cn1cc2c(=O)[nH]nc-2c(C(=O)OC)c1 ZINC000253411157 186309663 /nfs/dbraw/zinc/30/96/63/186309663.db2.gz OGUCOWUCVNPPRM-SNVBAGLBSA-N 1 0 304.350 0.947 50 0 DCAARO CCc1cc(N2CCN(C[C@@]3(O)CCC[NH2+]C3)CC2)ncn1 ZINC000072421578 191158756 /nfs/dbraw/zinc/15/87/56/191158756.db2.gz LGRFQQXCFJKPIL-MRXNPFEDSA-N 1 0 305.426 0.276 50 0 DCAARO CN1C[C@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)NC1=O ZINC000072429479 191162483 /nfs/dbraw/zinc/16/24/83/191162483.db2.gz AFODDXSBCDKZON-CYBMUJFWSA-N 1 0 322.434 0.806 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072431660 191164300 /nfs/dbraw/zinc/16/43/00/191164300.db2.gz MIPGNEGUKNCOFB-MRXNPFEDSA-N 1 0 321.396 0.848 50 0 DCAARO CN(C)c1ncc(CN2CCC([N@@H+]3CCC[C@H](O)C3)CC2)cn1 ZINC000072473541 191176272 /nfs/dbraw/zinc/17/62/72/191176272.db2.gz MRAFGJADOQUYMN-INIZCTEOSA-N 1 0 319.453 0.964 50 0 DCAARO Cc1ccnn1CC(=O)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072478497 191178843 /nfs/dbraw/zinc/17/88/43/191178843.db2.gz BGZOIOQTPYBTHX-OAHLLOKOSA-N 1 0 306.410 0.639 50 0 DCAARO Cc1cccc(CN2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000072478529 191179103 /nfs/dbraw/zinc/17/91/03/191179103.db2.gz HROIZGMLLDFDQJ-MRXNPFEDSA-N 1 0 303.406 0.628 50 0 DCAARO CCC1(CC)NC(=O)N(CC(=O)N2CCC([NH2+]C)CC2)C1=O ZINC000236872751 202046661 /nfs/dbraw/zinc/04/66/61/202046661.db2.gz FBSWKAOBIJDVJM-UHFFFAOYSA-N 1 0 310.398 0.307 50 0 DCAARO CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000236954412 202091714 /nfs/dbraw/zinc/09/17/14/202091714.db2.gz RETJPKJVOFGKHD-ZIAGYGMSSA-N 1 0 319.405 0.457 50 0 DCAARO CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237398419 202255064 /nfs/dbraw/zinc/25/50/64/202255064.db2.gz INCHAXCUFFXMOX-QWHCGFSZSA-N 1 0 311.407 0.227 50 0 DCAARO Cc1cc(N2CCN(C(=O)[C@H]3CCC[C@H]3[NH3+])CC2)nc(C)n1 ZINC000237788330 202355972 /nfs/dbraw/zinc/35/59/72/202355972.db2.gz PBOCPZAYCQEYAY-UONOGXRCSA-N 1 0 303.410 0.869 50 0 DCAARO Cn1cncc1CNC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000237933306 202395215 /nfs/dbraw/zinc/39/52/15/202395215.db2.gz HAFJTFMHODVIBD-KRWDZBQOSA-N 1 0 300.406 0.929 50 0 DCAARO Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3C[C@H](O)C[NH2+]3)C2)cc1 ZINC000277455678 238332048 /nfs/dbraw/zinc/33/20/48/238332048.db2.gz HPMFPUKJICAGTG-CWRNSKLLSA-N 1 0 303.406 0.803 50 0 DCAARO C[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000006578996 181356094 /nfs/dbraw/zinc/35/60/94/181356094.db2.gz ZETOHUGQNJJENU-UHFFFAOYSA-N 1 0 305.787 0.748 50 0 DCAARO COc1ccc(CC(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)cc1 ZINC000091644092 193084211 /nfs/dbraw/zinc/08/42/11/193084211.db2.gz GNGYROKEMIIQEE-HUUCEWRRSA-N 1 0 306.406 0.866 50 0 DCAARO NC(=O)C1CC[NH+](CC(=O)N2CCC[C@@H]2c2cccnc2)CC1 ZINC000091713410 193096453 /nfs/dbraw/zinc/09/64/53/193096453.db2.gz LNBJXRRKMJIOIE-OAHLLOKOSA-N 1 0 316.405 0.942 50 0 DCAARO Cc1nccn1CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000092065517 193150901 /nfs/dbraw/zinc/15/09/01/193150901.db2.gz SOXIIRDLWOEILV-HUUCEWRRSA-N 1 0 306.410 0.354 50 0 DCAARO CCn1c(CN(C)Cc2cnccn2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252519076 202861709 /nfs/dbraw/zinc/86/17/09/202861709.db2.gz AWIMJROYXWVREQ-TXEJJXNPSA-N 1 0 301.398 0.925 50 0 DCAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC(=O)N1 ZINC000093065765 193199383 /nfs/dbraw/zinc/19/93/83/193199383.db2.gz LIQMHXCNEGGVAH-CQSZACIVSA-N 1 0 302.378 0.693 50 0 DCAARO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)C(=O)N1CCOCC1)CC2 ZINC000097199365 193686972 /nfs/dbraw/zinc/68/69/72/193686972.db2.gz SAPIWCMTPQYRGY-STQMWFEESA-N 1 0 321.425 0.553 50 0 DCAARO Cc1ncc(C[N@@H+]2CCC[C@H](Cn3cc(CCO)nn3)C2)[nH]1 ZINC000019810479 182152492 /nfs/dbraw/zinc/15/24/92/182152492.db2.gz BRKTUUOCUCOGGH-ZDUSSCGKSA-N 1 0 304.398 0.757 50 0 DCAARO O=C(CN1CCC(O)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020950986 182255700 /nfs/dbraw/zinc/25/57/00/182255700.db2.gz BWVBNXBPBYRCQJ-INIZCTEOSA-N 1 0 317.433 0.834 50 0 DCAARO CCN1C[C@H](CN(C)Cc2cn(C3CC[NH2+]CC3)nn2)CC1=O ZINC000023428823 182360650 /nfs/dbraw/zinc/36/06/50/182360650.db2.gz NITBILIOHOIXQC-ZDUSSCGKSA-N 1 0 320.441 0.503 50 0 DCAARO O=C(NCC[NH+]1CCCC1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000041905335 183224301 /nfs/dbraw/zinc/22/43/01/183224301.db2.gz MZLCQWNZPZRYRW-HNNXBMFYSA-N 1 0 314.393 0.669 50 0 DCAARO O=C(Cc1ccccc1)NCC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058328922 184106138 /nfs/dbraw/zinc/10/61/38/184106138.db2.gz DKZQZVMPHKZURY-HNNXBMFYSA-N 1 0 313.405 0.873 50 0 DCAARO CCS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000058330666 184106187 /nfs/dbraw/zinc/10/61/87/184106187.db2.gz XPBDQFKZAMBGJG-CYBMUJFWSA-N 1 0 317.455 0.259 50 0 DCAARO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000058421049 184116085 /nfs/dbraw/zinc/11/60/85/184116085.db2.gz NCRLLQIQJBMJGZ-KBPBESRZSA-N 1 0 305.422 0.988 50 0 DCAARO Cc1ccc2[nH]c(=O)cc(C(=O)N[C@@H]3C[C@@H](CO)[N@H+](C)C3)c2c1 ZINC000065451133 184346481 /nfs/dbraw/zinc/34/64/81/184346481.db2.gz UMWWGJVWSJIGJE-NEPJUHHUSA-N 1 0 315.373 0.631 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000065474808 184351548 /nfs/dbraw/zinc/35/15/48/184351548.db2.gz JTWXLXPHEORLIN-ZDUSSCGKSA-N 1 0 318.425 0.940 50 0 DCAARO CN1C[C@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1=O ZINC000065552662 184364872 /nfs/dbraw/zinc/36/48/72/184364872.db2.gz GCZNQIRODKTPMO-CQSZACIVSA-N 1 0 319.405 0.722 50 0 DCAARO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC1(CO)CCOCC1 ZINC000157599419 197201155 /nfs/dbraw/zinc/20/11/55/197201155.db2.gz UZDUPWLAMKIJLG-CQSZACIVSA-N 1 0 313.442 0.949 50 0 DCAARO COc1ccccc1N1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000261596961 257237578 /nfs/dbraw/zinc/23/75/78/257237578.db2.gz AKAUWSCELYSWJS-OLZOCXBDSA-N 1 0 305.378 0.067 50 0 DCAARO C[NH2+]Cc1nnc(SCC[C@H]2CCS(=O)(=O)C2)n1C ZINC000426719949 257243882 /nfs/dbraw/zinc/24/38/82/257243882.db2.gz OLEPJKYKQLSKBU-VIFPVBQESA-N 1 0 304.441 0.451 50 0 DCAARO CCn1c(C)ccc(C(=O)NC[C@@H]2COCC[N@H+](C)C2)c1=O ZINC000426621747 257245373 /nfs/dbraw/zinc/24/53/73/257245373.db2.gz PVCVMCBZUHYRBE-ZDUSSCGKSA-N 1 0 307.394 0.485 50 0 DCAARO C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000426640348 257245414 /nfs/dbraw/zinc/24/54/14/257245414.db2.gz FIVKRURJFFGCDJ-GFCCVEGCSA-N 1 0 307.402 0.121 50 0 DCAARO O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@@H]1CC[NH2+]C1 ZINC000426544376 257246722 /nfs/dbraw/zinc/24/67/22/257246722.db2.gz LLZBCUAYQNNDKC-MRVPVSSYSA-N 1 0 323.702 0.999 50 0 DCAARO CC(C)OCC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O ZINC000426552130 257246773 /nfs/dbraw/zinc/24/67/73/257246773.db2.gz VELVKURFRRSZKC-CHWSQXEVSA-N 1 0 313.423 0.620 50 0 DCAARO Cc1cc(=O)cc(C(=O)NC[C@@H](O)C[NH+]2CCCCCC2)[nH]1 ZINC000426507882 257248748 /nfs/dbraw/zinc/24/87/48/257248748.db2.gz NFJJISKILARONK-CQSZACIVSA-N 1 0 307.394 0.650 50 0 DCAARO C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@H]1C[NH3+] ZINC000328596380 533666748 /nfs/dbraw/zinc/66/67/48/533666748.db2.gz LNZZAFNAHRBZJS-VWYCJHECSA-N 1 0 321.343 0.983 50 0 DCAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](C[C@@H](O)CO)CC1 ZINC000012478379 395687714 /nfs/dbraw/zinc/68/77/14/395687714.db2.gz BJPUXUJHMYAHFN-CYBMUJFWSA-N 1 0 324.425 0.858 50 0 DCAARO Cc1nccn1CCNC(=O)[C@@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000012445797 395687749 /nfs/dbraw/zinc/68/77/49/395687749.db2.gz UWWDDVGMYJDJLD-CQSZACIVSA-N 1 0 321.425 0.108 50 0 DCAARO COC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1 ZINC000001640117 395680941 /nfs/dbraw/zinc/68/09/41/395680941.db2.gz AZLCZBRDZUKUPN-GFCCVEGCSA-N 1 0 322.365 0.718 50 0 DCAARO COC(=O)c1ccc(N2C(=O)C[C@H](SCC[NH3+])C2=O)cc1 ZINC000002239167 395681485 /nfs/dbraw/zinc/68/14/85/395681485.db2.gz VPWCXRAISGZQMU-NSHDSACASA-N 1 0 308.359 0.797 50 0 DCAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CNC(=O)N1 ZINC000089834919 395715930 /nfs/dbraw/zinc/71/59/30/395715930.db2.gz XEMVDFRYCLXKJJ-GJZGRUSLSA-N 1 0 316.405 0.696 50 0 DCAARO CC(C)N1C(=O)N[C@]2(CC[N@H+](CCCc3cnn(C)c3)C2)C1=O ZINC000084597344 395698484 /nfs/dbraw/zinc/69/84/84/395698484.db2.gz DTXYBQNMSFIYPC-INIZCTEOSA-N 1 0 319.409 0.757 50 0 DCAARO CN1CCO[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000106844207 395783412 /nfs/dbraw/zinc/78/34/12/395783412.db2.gz MNGFHRNEZSCNHS-HIFRSBDPSA-N 1 0 314.813 1.000 50 0 DCAARO Cc1nc(CN2CCC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)no1 ZINC000106786724 395784092 /nfs/dbraw/zinc/78/40/92/395784092.db2.gz VTFQIZVNNUWHQT-ZIAGYGMSSA-N 1 0 320.397 0.190 50 0 DCAARO CN1CC[C@@H](NC(=O)Cn2cnnn2)[C@H]1c1ccc(F)c(F)c1 ZINC000108460745 395790008 /nfs/dbraw/zinc/79/00/08/395790008.db2.gz YJZSPVYSNXJXGG-TZMCWYRMSA-N 1 0 322.319 0.513 50 0 DCAARO CN1CC[N@H+](C)C[C@@H]1Cc1nc(-c2ccncc2)nn1CCO ZINC000108412474 395788515 /nfs/dbraw/zinc/78/85/15/395788515.db2.gz QHOMALBTHKUVHW-AWEZNQCLSA-N 1 0 316.409 0.121 50 0 DCAARO O=C(c1coc(CN2CCOCC2)c1)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000097522654 395758561 /nfs/dbraw/zinc/75/85/61/395758561.db2.gz YUIXRCQOJZWOQZ-XJKSGUPXSA-N 1 0 319.405 0.936 50 0 DCAARO C[N@@H+]1CCN(C(=O)CN2CCc3ccccc3C2)C[C@@H](O)C1 ZINC000097743624 395760408 /nfs/dbraw/zinc/76/04/08/395760408.db2.gz SRHIDPVQSDIGNZ-INIZCTEOSA-N 1 0 303.406 0.180 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cnnc2)nc1 ZINC000097742920 395760515 /nfs/dbraw/zinc/76/05/15/395760515.db2.gz SCNYMNILJMAWOE-CYBMUJFWSA-N 1 0 300.366 0.876 50 0 DCAARO O=C(NCC[NH+]1CCCCCC1)c1cnc2n(c1=O)CCS2 ZINC000048313973 395813459 /nfs/dbraw/zinc/81/34/59/395813459.db2.gz QVZDENDLIFAWJZ-UHFFFAOYSA-N 1 0 322.434 0.955 50 0 DCAARO C[C@@H]1CC[C@@H](C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000225418778 395859979 /nfs/dbraw/zinc/85/99/79/395859979.db2.gz PIJMCQKDYCQMDI-HZPDHXFCSA-N 1 0 309.454 0.899 50 0 DCAARO Cc1nnnn1CCC(=O)N(C)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000220205542 395847901 /nfs/dbraw/zinc/84/79/01/395847901.db2.gz KMDZLVHPFMRPBJ-UHFFFAOYSA-N 1 0 314.393 0.976 50 0 DCAARO COCCN1CCN(c2cc(C3CC(O)C3)[nH+]c(N)n2)CC1 ZINC000220737102 395849352 /nfs/dbraw/zinc/84/93/52/395849352.db2.gz RKUOMYDRDMIHJB-UHFFFAOYSA-N 1 0 307.398 0.066 50 0 DCAARO C[N@@H+]1C[C@H](NC(=O)CCc2nc3ccccc3[nH]2)C[C@H]1CO ZINC000220749595 395849479 /nfs/dbraw/zinc/84/94/79/395849479.db2.gz VHOOHRCHGWXFKZ-NEPJUHHUSA-N 1 0 302.378 0.677 50 0 DCAARO Cn1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1=O ZINC000051530953 395851299 /nfs/dbraw/zinc/85/12/99/395851299.db2.gz HUCHQPFFNGYECB-HNNXBMFYSA-N 1 0 319.405 0.456 50 0 DCAARO O=C(CC[N@H+]1CCCn2nc(CO)cc2C1)NCc1ccco1 ZINC000223953439 395857101 /nfs/dbraw/zinc/85/71/01/395857101.db2.gz MXJGOHHSXDUCND-UHFFFAOYSA-N 1 0 318.377 0.881 50 0 DCAARO CC(C)C[NH+]1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000051993354 395857604 /nfs/dbraw/zinc/85/76/04/395857604.db2.gz DEQVNLDUMPNNRQ-UHFFFAOYSA-N 1 0 310.442 0.981 50 0 DCAARO CNC(=O)NC(=O)CCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000058644035 395955505 /nfs/dbraw/zinc/95/55/05/395955505.db2.gz HGJDNTTUUQDWQH-UHFFFAOYSA-N 1 0 318.421 0.958 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 ZINC000151048837 395977250 /nfs/dbraw/zinc/97/72/50/395977250.db2.gz NVURCTFOZQRHIT-SNVBAGLBSA-N 1 0 315.370 0.297 50 0 DCAARO Cn1c2c(C(=O)Nc3ccccc3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966147 395989604 /nfs/dbraw/zinc/98/96/04/395989604.db2.gz RFXCRNJWNQJQLH-UHFFFAOYSA-N 1 0 323.356 0.931 50 0 DCAARO C[NH+]1CCC(N2CC[C@@H](n3c(=O)[nH]c4cncnc43)C2)CC1 ZINC000065256792 395991658 /nfs/dbraw/zinc/99/16/58/395991658.db2.gz XRIAHRSHZMBDJX-GFCCVEGCSA-N 1 0 302.382 0.461 50 0 DCAARO Cn1cc(C[NH2+]C[C@H]2CN(C)CCO2)c(-c2ccncc2)n1 ZINC000065611262 395995227 /nfs/dbraw/zinc/99/52/27/395995227.db2.gz VSJWDHOCEBRHFJ-HNNXBMFYSA-N 1 0 301.394 0.902 50 0 DCAARO C[C@@H]1CN(C(=O)CCn2nc3ccccn3c2=O)C[C@@H](C)[NH2+]1 ZINC000153253900 396022182 /nfs/dbraw/zinc/02/21/82/396022182.db2.gz SKMUUZFIZIFTJW-VXGBXAGGSA-N 1 0 303.366 0.095 50 0 DCAARO CC(=O)N1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000252678882 396023968 /nfs/dbraw/zinc/02/39/68/396023968.db2.gz HBFRUXBTZAHDGT-HRCADAONSA-N 1 0 323.437 0.303 50 0 DCAARO CCc1noc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@H]2C)n1 ZINC000252667878 396024062 /nfs/dbraw/zinc/02/40/62/396024062.db2.gz DMSIATKIKNVOSM-VWYCJHECSA-N 1 0 316.427 0.953 50 0 DCAARO O=C(N[C@@H]1C[N@H+](C2CCSCC2)C[C@H]1CO)c1cccnc1 ZINC000253412146 396026910 /nfs/dbraw/zinc/02/69/10/396026910.db2.gz QAIAYPVWXQKPPB-DZGCQCFKSA-N 1 0 321.446 1.000 50 0 DCAARO CC(C)NC(=O)NCC[C@@H]1CN(C2CC[NH+](C)CC2)CCO1 ZINC000067514476 396027860 /nfs/dbraw/zinc/02/78/60/396027860.db2.gz MOFLQANCKXYIOM-OAHLLOKOSA-N 1 0 312.458 0.879 50 0 DCAARO C[C@@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)Oc1cccnc1 ZINC000067756647 396033340 /nfs/dbraw/zinc/03/33/40/396033340.db2.gz SDJBFUBRFUKYJE-LBPRGKRZSA-N 1 0 313.423 0.863 50 0 DCAARO COc1ccc(CC(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)cc1OC ZINC000257182064 396033957 /nfs/dbraw/zinc/03/39/57/396033957.db2.gz GDKFBZWNPLWMHV-UONOGXRCSA-N 1 0 322.405 0.627 50 0 DCAARO O=C(C[NH2+]CCc1[nH]nc2c1CCCC2)Nc1cnccn1 ZINC000067821484 396034737 /nfs/dbraw/zinc/03/47/37/396034737.db2.gz HSWWAHTWNKLODS-UHFFFAOYSA-N 1 0 300.366 0.849 50 0 DCAARO COc1ccc(C(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000257195939 396036253 /nfs/dbraw/zinc/03/62/53/396036253.db2.gz XDQXTZXBSVNVSV-SMDDNHRTSA-N 1 0 308.378 0.698 50 0 DCAARO C[N@H+](CCO)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067854841 396036317 /nfs/dbraw/zinc/03/63/17/396036317.db2.gz KCSLPASBYOCAOB-SFHVURJKSA-N 1 0 320.433 0.897 50 0 DCAARO CCn1ncc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000067871675 396036855 /nfs/dbraw/zinc/03/68/55/396036855.db2.gz FNRAFGQJBXDFTE-AWEZNQCLSA-N 1 0 312.439 0.976 50 0 DCAARO C[NH2+]CCNC[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O ZINC000067921244 396038556 /nfs/dbraw/zinc/03/85/56/396038556.db2.gz JVDPPDFWOPXAQT-QGZVFWFLSA-N 1 0 321.421 0.358 50 0 DCAARO COCCN1CCC[C@@](O)(C[N@H+](C)Cc2cccc(O)c2)C1=O ZINC000067947172 396039977 /nfs/dbraw/zinc/03/99/77/396039977.db2.gz JFRXYKPBBMVMPJ-QGZVFWFLSA-N 1 0 322.405 0.824 50 0 DCAARO CN1CC[N@H+](C)CC12CCN(C(=O)c1cc(N)ccn1)CC2 ZINC000067956154 396040591 /nfs/dbraw/zinc/04/05/91/396040591.db2.gz KEYDQKGTOCPDOW-UHFFFAOYSA-N 1 0 303.410 0.516 50 0 DCAARO Cc1ccc(O)c(C(=O)NC[C@@H]2CC[N@@H+](C(CO)CO)C2)c1 ZINC000067982286 396041784 /nfs/dbraw/zinc/04/17/84/396041784.db2.gz USKLCKLRBIWDDA-LBPRGKRZSA-N 1 0 308.378 0.106 50 0 DCAARO C[C@@H]1COCCN1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000257365506 396047061 /nfs/dbraw/zinc/04/70/61/396047061.db2.gz GJMNGNZVQPOBDA-YNEHKIRRSA-N 1 0 303.428 0.120 50 0 DCAARO Cc1cc(N2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000252496804 396021811 /nfs/dbraw/zinc/02/18/11/396021811.db2.gz PSCQBMVEKZJEGT-INIZCTEOSA-N 1 0 318.421 0.807 50 0 DCAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)no1 ZINC000069659319 396086056 /nfs/dbraw/zinc/08/60/56/396086056.db2.gz IEIIRZILASADGQ-GXSJLCMTSA-N 1 0 304.354 0.815 50 0 DCAARO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000069740510 396088640 /nfs/dbraw/zinc/08/86/40/396088640.db2.gz YNJAVRCAYRPNFY-UONOGXRCSA-N 1 0 302.378 0.931 50 0 DCAARO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000069870587 396093017 /nfs/dbraw/zinc/09/30/17/396093017.db2.gz LVUPGCRSRHRDQM-RYUDHWBXSA-N 1 0 318.377 0.921 50 0 DCAARO COc1ccccc1CNC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000070020645 396097941 /nfs/dbraw/zinc/09/79/41/396097941.db2.gz AEFNDHGRCRPCSA-OAHLLOKOSA-N 1 0 321.421 0.574 50 0 DCAARO CN1CCO[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000071877194 396121272 /nfs/dbraw/zinc/12/12/72/396121272.db2.gz MNGFHRNEZSCNHS-DZGCQCFKSA-N 1 0 314.813 1.000 50 0 DCAARO COc1ccc(OC)c([C@H](O)CN2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000071877154 396121703 /nfs/dbraw/zinc/12/17/03/396121703.db2.gz ZYSORTXSVMNVFV-XJKSGUPXSA-N 1 0 324.421 0.736 50 0 DCAARO Cc1cc(C)n(C2CN(C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC000071880796 396122849 /nfs/dbraw/zinc/12/28/49/396122849.db2.gz WFRDOKNUESYDPS-UXLLHSPISA-N 1 0 322.453 0.827 50 0 DCAARO CCc1nc(CN2CCC[C@@H]([N@H+](C)CCn3cncn3)C2)no1 ZINC000071882280 396123009 /nfs/dbraw/zinc/12/30/09/396123009.db2.gz IALKOQNRHKIFJX-CYBMUJFWSA-N 1 0 319.413 0.820 50 0 DCAARO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000071907850 396124460 /nfs/dbraw/zinc/12/44/60/396124460.db2.gz XLFOUIVUCCAQQW-ZDUSSCGKSA-N 1 0 321.402 0.781 50 0 DCAARO CCc1nc2ccccc2n1CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262327690 396124566 /nfs/dbraw/zinc/12/45/66/396124566.db2.gz RXUQMAOERINTAX-BXUZGUMPSA-N 1 0 302.378 0.295 50 0 DCAARO CN1CCO[C@@H](C[NH2+]CC(=O)NCCOc2ccccc2)C1 ZINC000072267995 396128119 /nfs/dbraw/zinc/12/81/19/396128119.db2.gz QAMMSTOICODLJO-HNNXBMFYSA-N 1 0 307.394 0.102 50 0 DCAARO CN1CCO[C@@H](C[NH2+]CCCS(=O)(=O)c2ccccc2)C1 ZINC000072267871 396128218 /nfs/dbraw/zinc/12/82/18/396128218.db2.gz XKDNPVYJADBLRY-AWEZNQCLSA-N 1 0 312.435 0.771 50 0 DCAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000072253977 396128223 /nfs/dbraw/zinc/12/82/23/396128223.db2.gz JLIDIHWWLSPUQU-HZPDHXFCSA-N 1 0 322.453 0.867 50 0 DCAARO Cc1cnn(CCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000072269251 396128232 /nfs/dbraw/zinc/12/82/32/396128232.db2.gz PXMINRDLQLLSMB-GJZGRUSLSA-N 1 0 306.410 0.639 50 0 DCAARO O=C(CC[N@@H+]1CCc2c(ncn2C2CC2)C1)N1CCOCC1 ZINC000069451849 396078788 /nfs/dbraw/zinc/07/87/88/396078788.db2.gz MMQRYXFHIVAHIL-UHFFFAOYSA-N 1 0 304.394 0.825 50 0 DCAARO CCn1cc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)ccc1=O ZINC000261947786 396082456 /nfs/dbraw/zinc/08/24/56/396082456.db2.gz NUMJLZZSNUDECW-UHFFFAOYSA-N 1 0 315.377 0.782 50 0 DCAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000069590204 396083841 /nfs/dbraw/zinc/08/38/41/396083841.db2.gz IWYZIOQIMMQZEW-OAHLLOKOSA-N 1 0 308.426 0.445 50 0 DCAARO C[C@@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000076058307 396194673 /nfs/dbraw/zinc/19/46/73/396194673.db2.gz XDESDXJMZMBZCT-YGRLFVJLSA-N 1 0 323.418 0.201 50 0 DCAARO O=C1CCCc2cc(S(=O)(=O)N3CCC[NH2+]CC3)ccc2N1 ZINC000178891466 396213582 /nfs/dbraw/zinc/21/35/82/396213582.db2.gz IIZZFKLLGONCST-UHFFFAOYSA-N 1 0 323.418 0.945 50 0 DCAARO O[C@@]1(CNCc2coc(-c3ccccc3)n2)C[NH2+]CCOC1 ZINC000077354731 396219300 /nfs/dbraw/zinc/21/93/00/396219300.db2.gz IMXXWZQWEYOQQU-MRXNPFEDSA-N 1 0 303.362 0.782 50 0 DCAARO COCCn1cc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000282437497 396290168 /nfs/dbraw/zinc/29/01/68/396290168.db2.gz JXKUCLAFKDGEBH-UKRRQHHQSA-N 1 0 321.425 0.908 50 0 DCAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCN(C(=O)C(F)(F)F)CC2)C1 ZINC000584885435 396632238 /nfs/dbraw/zinc/63/22/38/396632238.db2.gz DMWCLPGHZXCRSH-VHSXEESVSA-N 1 0 307.316 0.737 50 0 DCAARO C[C@@]1(C(=O)N2CCCN(C(=O)C(F)(F)F)CC2)CCC[NH2+]C1 ZINC000584886112 396632484 /nfs/dbraw/zinc/63/24/84/396632484.db2.gz UOHVKRZLMRVHIQ-CYBMUJFWSA-N 1 0 321.343 0.999 50 0 DCAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)N(C)Cc1nc(C)c[nH]1 ZINC000584895846 396635060 /nfs/dbraw/zinc/63/50/60/396635060.db2.gz VFFXPIRLOLHGOU-STQMWFEESA-N 1 0 309.414 0.967 50 0 DCAARO CCS(=O)(=O)CC(=O)N1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC000584898983 396636394 /nfs/dbraw/zinc/63/63/94/396636394.db2.gz VYKXXIHGDJPOBX-AWEZNQCLSA-N 1 0 302.440 0.756 50 0 DCAARO Cn1cc(CCNC(=O)[C@@H]2CCCN2C2CC[NH+](C)CC2)cn1 ZINC000299756290 396713772 /nfs/dbraw/zinc/71/37/72/396713772.db2.gz KYZDEXVUDWNJNS-INIZCTEOSA-N 1 0 319.453 0.637 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC000299754189 396714462 /nfs/dbraw/zinc/71/44/62/396714462.db2.gz NFDHFEZAZGSNLJ-FVQBIDKESA-N 1 0 322.453 0.092 50 0 DCAARO CCc1nc(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)no1 ZINC000299774874 396714478 /nfs/dbraw/zinc/71/44/78/396714478.db2.gz GRZCSGRSEKVCGN-ZWUHOBOKSA-N 1 0 323.393 0.620 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000606441551 397681115 /nfs/dbraw/zinc/68/11/15/397681115.db2.gz LDECDEMSOLUYNY-LLPBQKLSSA-N 1 0 323.418 0.415 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000134174981 158324798 /nfs/dbraw/zinc/32/47/98/158324798.db2.gz NWNFSAJMNLHONO-VHSXEESVSA-N 1 0 307.316 0.608 50 0 DCAARO CNC(=O)c1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1 ZINC000330501710 159181536 /nfs/dbraw/zinc/18/15/36/159181536.db2.gz AUPRILPIKHRTOR-UHFFFAOYSA-N 1 0 311.407 0.299 50 0 DCAARO CS(=O)(=O)c1ccc(OCCC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000132616842 196271219 /nfs/dbraw/zinc/27/12/19/196271219.db2.gz NCCALCUYWAQTSE-NSHDSACASA-N 1 0 312.391 0.419 50 0 DCAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)NC(N)=O ZINC000029069926 415177598 /nfs/dbraw/zinc/17/75/98/415177598.db2.gz VUGLXTSWYRLWIR-LLVKDONJSA-N 1 0 316.365 0.845 50 0 DCAARO O=C(NCc1ccccc1Cn1cccn1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269208128 415248173 /nfs/dbraw/zinc/24/81/73/415248173.db2.gz NOYSKTZBTDMORG-HUUCEWRRSA-N 1 0 300.362 0.270 50 0 DCAARO O=C(CN1CCC[C@H](O)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000044871135 415229518 /nfs/dbraw/zinc/22/95/18/415229518.db2.gz UPDHAVJZLGTVOX-IRXDYDNUSA-N 1 0 317.433 0.834 50 0 DCAARO CC(C)[C@@H](C)NC(=O)C1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000058296614 415341915 /nfs/dbraw/zinc/34/19/15/415341915.db2.gz UECYOFMJUMCZHC-GHMZBOCLSA-N 1 0 312.414 0.443 50 0 DCAARO Cn1nnc2cc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)ccc21 ZINC000067789841 415387029 /nfs/dbraw/zinc/38/70/29/415387029.db2.gz CSMOBYFNSWCQKZ-ZDUSSCGKSA-N 1 0 317.393 0.545 50 0 DCAARO Nc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3F)C2)n1 ZINC000067851353 415390746 /nfs/dbraw/zinc/39/07/46/415390746.db2.gz YKJRRMNBWMALOE-SNVBAGLBSA-N 1 0 318.356 0.778 50 0 DCAARO O=C(Cn1ccnc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095371109 415555658 /nfs/dbraw/zinc/55/56/58/415555658.db2.gz LZBCAFRHCPXFFR-GOEBONIOSA-N 1 0 318.421 0.985 50 0 DCAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]([C@H]1CCOC1)N1CCOCC1 ZINC000097159499 415584782 /nfs/dbraw/zinc/58/47/82/415584782.db2.gz ZYDVUQDNALJZSU-HOCLYGCPSA-N 1 0 308.426 0.853 50 0 DCAARO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](C)Cc2ccnn2C)C1 ZINC000108178641 415675784 /nfs/dbraw/zinc/67/57/84/415675784.db2.gz LFCDOXOSGOEENP-TZMCWYRMSA-N 1 0 314.455 0.612 50 0 DCAARO Cc1ccc(C(N)=O)cc1NC(=O)NC[C@@]1(O)CCC[NH2+]C1 ZINC000299773868 416066215 /nfs/dbraw/zinc/06/62/15/416066215.db2.gz GDUDYWFSWMXVAQ-OAHLLOKOSA-N 1 0 306.366 0.330 50 0 DCAARO COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CC[NH2+]CC2 ZINC000299771759 416066328 /nfs/dbraw/zinc/06/63/28/416066328.db2.gz WTKHIKUVWAEBON-UHFFFAOYSA-N 1 0 307.394 0.779 50 0 DCAARO CC(C)n1cnnc1CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000299780293 416068281 /nfs/dbraw/zinc/06/82/81/416068281.db2.gz JFAOAGVMSIQPEJ-CYBMUJFWSA-N 1 0 309.414 0.486 50 0 DCAARO Nc1nscc1C(=O)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000299781329 416068338 /nfs/dbraw/zinc/06/83/38/416068338.db2.gz LQIPKIYEWBYHIM-NSHDSACASA-N 1 0 310.423 0.787 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc(OC)c1OC ZINC000299791550 416069056 /nfs/dbraw/zinc/06/90/56/416069056.db2.gz DDIMBTQMYUKEHJ-OLZOCXBDSA-N 1 0 307.394 0.742 50 0 DCAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CCOC[C@@H]2CO)c1 ZINC000299798770 416072019 /nfs/dbraw/zinc/07/20/19/416072019.db2.gz SJZYLJILVQWSLB-LBPRGKRZSA-N 1 0 324.377 0.256 50 0 DCAARO CN(C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[C@@H]1CC[NH2+]C1 ZINC000179082730 416182083 /nfs/dbraw/zinc/18/20/83/416182083.db2.gz XUZOGUDISGGXOB-GFCCVEGCSA-N 1 0 313.361 0.405 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COCc2ccco2)C[C@@H]1C ZINC000247226962 416332609 /nfs/dbraw/zinc/33/26/09/416332609.db2.gz QYAHEFNWCDMCHN-KKUMJFAQSA-N 1 0 312.410 0.544 50 0 DCAARO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000248697040 416333886 /nfs/dbraw/zinc/33/38/86/416333886.db2.gz LKVNSWIGINNQBN-ZIAGYGMSSA-N 1 0 318.487 0.331 50 0 DCAARO COC(=O)[C@H]1C[C@@H](O)CN1Cc1cccc(-n2cccn2)c1 ZINC000195578124 416326806 /nfs/dbraw/zinc/32/68/06/416326806.db2.gz DDGYNJBPQVVMSH-HUUCEWRRSA-N 1 0 301.346 0.981 50 0 DCAARO C[C@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)[C@H]1C[NH3+] ZINC000237698032 416328524 /nfs/dbraw/zinc/32/85/24/416328524.db2.gz UAQYMYODPHYQKM-AAEUAGOBSA-N 1 0 302.440 0.930 50 0 DCAARO [NH3+][C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000238058382 416329789 /nfs/dbraw/zinc/32/97/89/416329789.db2.gz VWZTYOPUJRVZGE-AWEZNQCLSA-N 1 0 303.410 0.153 50 0 DCAARO C[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC[C@H]1C ZINC000242273821 416330235 /nfs/dbraw/zinc/33/02/35/416330235.db2.gz YGBVPAKDEUUOHY-UPJWGTAASA-N 1 0 317.455 0.736 50 0 DCAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000243893820 416330402 /nfs/dbraw/zinc/33/04/02/416330402.db2.gz AUORBWSYVLQBJK-CYBMUJFWSA-N 1 0 304.398 0.774 50 0 DCAARO CN(Cc1ccc2nonc2c1)C(=O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000244619968 416330553 /nfs/dbraw/zinc/33/05/53/416330553.db2.gz FJKPSJQBCAQMGS-ZDUSSCGKSA-N 1 0 317.393 0.817 50 0 DCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1n[nH]c2c1CCCC2 ZINC000244828669 416331164 /nfs/dbraw/zinc/33/11/64/416331164.db2.gz UAJVDMIUMUPUKF-KBPBESRZSA-N 1 0 304.394 0.882 50 0 DCAARO OCC(CO)[NH2+][C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 ZINC000244817117 416331199 /nfs/dbraw/zinc/33/11/99/416331199.db2.gz SUQGDYXQOFWOPL-ISTRZQFTSA-N 1 0 302.374 0.990 50 0 DCAARO COc1nc(NCCC[NH+]2CCC(C(N)=O)CC2)ncc1F ZINC000534667031 416507436 /nfs/dbraw/zinc/50/74/36/416507436.db2.gz UVBQKJBZGVBSDD-UHFFFAOYSA-N 1 0 311.361 0.624 50 0 DCAARO O=C(NCc1cccc(OCC(F)(F)F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299751470 229396761 /nfs/dbraw/zinc/39/67/61/229396761.db2.gz QOUYOOVKLMZEAA-PWSUYJOCSA-N 1 0 318.295 0.967 50 0 DCAARO C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)CS2 ZINC000449653718 271856853 /nfs/dbraw/zinc/85/68/53/271856853.db2.gz CQKLWCUCYQRHPE-SBMIAAHKSA-N 1 0 319.377 0.554 50 0 DCAARO CNc1cc(C(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)ccn1 ZINC000097295036 277302007 /nfs/dbraw/zinc/30/20/07/277302007.db2.gz CQEYELUPDJEBOB-UHFFFAOYSA-N 1 0 317.437 0.881 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000299740382 288235985 /nfs/dbraw/zinc/23/59/85/288235985.db2.gz ZDEMXHYNGAXJKF-YNEHKIRRSA-N 1 0 305.444 0.320 50 0 DCAARO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000091496827 288852787 /nfs/dbraw/zinc/85/27/87/288852787.db2.gz NJDQQIQXLPAJDM-JQWIXIFHSA-N 1 0 312.391 0.877 50 0 DCAARO Cn1ccnc1[C@@](O)(CCNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000153173215 294425711 /nfs/dbraw/zinc/42/57/11/294425711.db2.gz PZSMRNWUUOOJHN-CABZTGNLSA-N 1 0 320.315 0.428 50 0 DCAARO Cc1ccc(F)cc1S(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH3+] ZINC000219297745 301617449 /nfs/dbraw/zinc/61/74/49/301617449.db2.gz AOYMUJIIRIDALF-GWNIPJSYSA-N 1 0 300.355 0.527 50 0 DCAARO Cc1cn2c(nc(CN3C[C@@H]4[NH2+]CCO[C@H]4C3)cc2=O)s1 ZINC000534655213 334313758 /nfs/dbraw/zinc/31/37/58/334313758.db2.gz GDSWLDBMLLSQOP-RYUDHWBXSA-N 1 0 306.391 0.237 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@H](C)[NH2+]1 ZINC000153866753 533878134 /nfs/dbraw/zinc/87/81/34/533878134.db2.gz CFCGMVJDKUCXJV-IUCAKERBSA-N 1 0 302.334 0.039 50 0 DCAARO O=C(NCCc1ccc(-n2cccn2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299748550 534445909 /nfs/dbraw/zinc/44/59/09/534445909.db2.gz HKUUIVVXNTZDJE-GJZGRUSLSA-N 1 0 300.362 0.254 50 0 DCAARO CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299741205 528685746 /nfs/dbraw/zinc/68/57/46/528685746.db2.gz DRGBXXOMRLFTKY-XQQFMLRXSA-N 1 0 306.362 0.398 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1noc(C2CCCC2)n1 ZINC000077487278 545678971 /nfs/dbraw/zinc/67/89/71/545678971.db2.gz DEAAOTJXWMLLOM-UHFFFAOYSA-N 1 0 319.365 0.901 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3nc(C)no3)C[C@@H]2C)CC1 ZINC000084286718 545699929 /nfs/dbraw/zinc/69/99/29/545699929.db2.gz VWIVQZBCUUJMHO-SWLSCSKDSA-N 1 0 321.425 0.753 50 0 DCAARO CC[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@@H]1[NH+](C)C ZINC000084735520 545702254 /nfs/dbraw/zinc/70/22/54/545702254.db2.gz ZPJLDBKTIZFZKH-RYUDHWBXSA-N 1 0 310.398 0.117 50 0 DCAARO CC(C)c1cnc(N2CCN(C[C@@H](O)C[NH+](C)C)CC2)nc1 ZINC000670459467 547097537 /nfs/dbraw/zinc/09/75/37/547097537.db2.gz WPHYRYFRVVSIDH-HNNXBMFYSA-N 1 0 307.442 0.645 50 0 DCAARO CN1CCO[C@H](C[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000257365374 563594986 /nfs/dbraw/zinc/59/49/86/563594986.db2.gz SPAXYPUKEAVQDT-KFWWJZLASA-N 1 0 311.426 0.077 50 0 DCAARO C[C@@H](CCC(=O)NCCc1nccn1C)[NH+]1CCN(C)CC1 ZINC000244685564 660602306 /nfs/dbraw/zinc/60/23/06/660602306.db2.gz ISMCIZULGNOXTD-AWEZNQCLSA-N 1 0 307.442 0.495 50 0 DCAARO CC(=O)NCc1cc2n(n1)CC[N@@H+](CCc1nccn1C)C2 ZINC000426412164 661578771 /nfs/dbraw/zinc/57/87/71/661578771.db2.gz GANPDCBOJOIAGX-UHFFFAOYSA-N 1 0 302.382 0.311 50 0 DCAARO O=C(N[C@H]1CCC[NH2+]C1)c1cccc(C(=O)N2CCCC2)n1 ZINC000120149205 661707644 /nfs/dbraw/zinc/70/76/44/661707644.db2.gz LNJPTBRLUYWBRL-LBPRGKRZSA-N 1 0 302.378 0.799 50 0 DCAARO CN(Cc1[nH]nc2c1CCCCC2)C[C@]1(O)C[NH2+]CCOC1 ZINC000077407555 670402621 /nfs/dbraw/zinc/40/26/21/670402621.db2.gz QSQOVMOTCOUQGH-MRXNPFEDSA-N 1 0 308.426 0.461 50 0 DCAARO Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)cc(C)n1 ZINC000952964751 685597931 /nfs/dbraw/zinc/59/79/31/685597931.db2.gz QFYPUTWKZLCARA-CQSZACIVSA-N 1 0 304.394 0.512 50 0 DCAARO CCc1noc(CN2CCC(CNC(=O)[C@@H]3CCOC3)CC2)n1 ZINC000952970129 685598795 /nfs/dbraw/zinc/59/87/95/685598795.db2.gz LHHVHALPJZGPMK-CYBMUJFWSA-N 1 0 322.409 0.997 50 0 DCAARO CC[C@H](CNC(=O)/C=C/c1cnc(N)nc1)[NH+]1CCN(C)CC1 ZINC000952975098 685599788 /nfs/dbraw/zinc/59/97/88/685599788.db2.gz YBNUPZBBBIEZLC-ISZGNANSSA-N 1 0 318.425 0.214 50 0 DCAARO C[C@@H](C(=O)N(C)C)[NH+]1CCC(CNC(=O)c2cnccn2)CC1 ZINC000952982551 685602107 /nfs/dbraw/zinc/60/21/07/685602107.db2.gz YFVCRSKXZJZZFX-LBPRGKRZSA-N 1 0 319.409 0.395 50 0 DCAARO CC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cn(CC)nc3C)CN2C1=O ZINC000014536743 685047873 /nfs/dbraw/zinc/04/78/73/685047873.db2.gz SWKXYQRQVNGTMU-IHRRRGAJSA-N 1 0 319.409 0.179 50 0 DCAARO CCC[NH+]1CCC(CC(=O)N2CC[N@H+](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000067672931 685069682 /nfs/dbraw/zinc/06/96/82/685069682.db2.gz LQQHGYQUBPTLLY-CQSZACIVSA-N 1 0 311.426 0.726 50 0 DCAARO CC(C)c1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)no1 ZINC000082107228 685083499 /nfs/dbraw/zinc/08/34/99/685083499.db2.gz UEHLJPKEXLSLAD-LLVKDONJSA-N 1 0 308.382 0.725 50 0 DCAARO Nc1ncc(C[N@@H+]2CCC[C@]3(CCc4cnc(N)nc43)C2)cn1 ZINC001704305571 1179967637 /nfs/dbraw/zinc/96/76/37/1179967637.db2.gz LKCPWHCFVCCJDV-INIZCTEOSA-N 1 0 311.393 0.911 50 0 DCAARO COc1ncccc1C[NH+]1CCC2(CC1)C[C@](O)(CO)CCO2 ZINC001704326444 1179973321 /nfs/dbraw/zinc/97/33/21/1179973321.db2.gz XEZFYOLJQWFKGA-INIZCTEOSA-N 1 0 322.405 0.959 50 0 DCAARO C[N@@H+]1CCC[C@]2(CO)CCN(c3ncnc4nc[nH]c43)C[C@@H]12 ZINC001704344500 1179979766 /nfs/dbraw/zinc/97/97/66/1179979766.db2.gz OTHJXHAXROPXFC-IAQYHMDHSA-N 1 0 302.382 0.636 50 0 DCAARO CC(C)[N@@H+]1CC[C@@H](CN(C)CCCS(=O)(=O)N(C)C)C1 ZINC000823690448 758261313 /nfs/dbraw/zinc/26/13/13/758261313.db2.gz YCSJABKVJVDVBW-AWEZNQCLSA-N 1 0 305.488 0.930 50 0 DCAARO C[NH+](C)C[C@H]1COCCN(C2CCN(C(=O)C3CC3)CC2)C1 ZINC000823690092 758262215 /nfs/dbraw/zinc/26/22/15/758262215.db2.gz LLKISTYSVMBQEA-CQSZACIVSA-N 1 0 309.454 0.897 50 0 DCAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000823778626 758266341 /nfs/dbraw/zinc/26/63/41/758266341.db2.gz IESXRHBXWWZRPB-AWEZNQCLSA-N 1 0 303.410 1.000 50 0 DCAARO CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C[NH+]1CCCC1 ZINC000827831764 758888178 /nfs/dbraw/zinc/88/81/78/758888178.db2.gz GLNDMYRPQWZSQX-CYBMUJFWSA-N 1 0 317.455 0.403 50 0 DCAARO O=S(=O)(NCCC[N@H+]1CCC[C@@H](O)C1)N1CCCCC1 ZINC000828627352 759049064 /nfs/dbraw/zinc/04/90/64/759049064.db2.gz GJOHKHDTJVVRBI-CYBMUJFWSA-N 1 0 305.444 0.154 50 0 DCAARO Cc1cnc(C)nc1N1CC[N@H+](CCC[NH3+])C[C@H](C(=O)[O-])C1 ZINC000219646486 766274426 /nfs/dbraw/zinc/27/44/26/766274426.db2.gz VYZDXYYNERNZTO-ZDUSSCGKSA-N 1 0 307.398 0.265 50 0 DCAARO C[NH2+]C[C@H](O)CN1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000952876807 768941303 /nfs/dbraw/zinc/94/13/03/768941303.db2.gz FPYHUPQTBGOTTH-HNNXBMFYSA-N 1 0 323.437 0.796 50 0 DCAARO CCN(CC[NH+](C)C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529155073 1014508485 /nfs/dbraw/zinc/50/84/85/1014508485.db2.gz NICOXEXDAANWOI-CVEARBPZSA-N 1 0 319.405 0.653 50 0 DCAARO CNC(=O)c1noc(CNC2CC[NH+](Cc3ccco3)CC2)n1 ZINC001506402576 1017255324 /nfs/dbraw/zinc/25/53/24/1017255324.db2.gz TZYWQYLNCSHYDO-UHFFFAOYSA-N 1 0 319.365 0.776 50 0 DCAARO O=C(Cn1cccn1)NCC1CC[NH+](CCn2cnnc2)CC1 ZINC001506428669 1017269549 /nfs/dbraw/zinc/26/95/49/1017269549.db2.gz PVTBDBBZHAJMPD-UHFFFAOYSA-N 1 0 317.397 0.003 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC(c2nccn2CC2CC2)CC1 ZINC000095505925 185375578 /nfs/dbraw/zinc/37/55/78/185375578.db2.gz PEZZDRAQLMXLPT-CABCVRRESA-N 1 0 318.421 0.722 50 0 DCAARO C[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)C[C@H]1[NH+](C)C ZINC000078894741 185124099 /nfs/dbraw/zinc/12/40/99/185124099.db2.gz ONTWNBGLUXZOKG-SMDDNHRTSA-N 1 0 315.377 0.200 50 0 DCAARO CN(C)Cc1nnc(C2CCN(C(=O)C[NH3+])CC2)n1C1CC1 ZINC000082107068 192356210 /nfs/dbraw/zinc/35/62/10/192356210.db2.gz PEYONJDHJOUYEY-UHFFFAOYSA-N 1 0 306.414 0.339 50 0 DCAARO O=C(CO)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082115888 192357844 /nfs/dbraw/zinc/35/78/44/192357844.db2.gz SPEOGDXRDNWPOU-CQSZACIVSA-N 1 0 323.437 0.304 50 0 DCAARO Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000069740511 190811254 /nfs/dbraw/zinc/81/12/54/190811254.db2.gz YNJAVRCAYRPNFY-KBPBESRZSA-N 1 0 302.378 0.931 50 0 DCAARO C[C@H]1C[N@@H+](C2CCN(C(=O)c3nccnc3N)CC2)CCO1 ZINC000071829432 191031401 /nfs/dbraw/zinc/03/14/01/191031401.db2.gz FNVWMARPPXWDGP-NSHDSACASA-N 1 0 305.382 0.384 50 0 DCAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3nccnc3N)CC2)CCO1 ZINC000071829431 191031595 /nfs/dbraw/zinc/03/15/95/191031595.db2.gz FNVWMARPPXWDGP-LLVKDONJSA-N 1 0 305.382 0.384 50 0 DCAARO Cn1cc2ncn(CCCOC3CC[NH+](C)CC3)c(=O)c2n1 ZINC000072152645 191056999 /nfs/dbraw/zinc/05/69/99/191056999.db2.gz HEKMESAROMWXFW-UHFFFAOYSA-N 1 0 305.382 0.631 50 0 DCAARO COc1cc(CC(=O)NC[C@@]2(O)CC[NH2+]C2)cc(OC)c1OC ZINC000072156973 191060316 /nfs/dbraw/zinc/06/03/16/191060316.db2.gz SCGXWBDMKMBYQG-MRXNPFEDSA-N 1 0 324.377 0.096 50 0 DCAARO O=C1OCCN1C1CCN(Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072157983 191060400 /nfs/dbraw/zinc/06/04/00/191060400.db2.gz RHFFFCMEXQTXCL-UHFFFAOYSA-N 1 0 319.409 0.793 50 0 DCAARO CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000072161629 191062508 /nfs/dbraw/zinc/06/25/08/191062508.db2.gz NOZVJVRROLODHP-NSHDSACASA-N 1 0 303.322 0.078 50 0 DCAARO O=C(c1ccc2cc[nH]c2c1)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072167996 191066191 /nfs/dbraw/zinc/06/61/91/191066191.db2.gz XIYWRCLSZVMMIA-QGZVFWFLSA-N 1 0 315.373 0.999 50 0 DCAARO O=C(c1ccc2cc[nH]c2c1)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072167997 191067134 /nfs/dbraw/zinc/06/71/34/191067134.db2.gz XIYWRCLSZVMMIA-KRWDZBQOSA-N 1 0 315.373 0.999 50 0 DCAARO Cc1cc(NC(=O)CC[N@H+]2CCc3nn(C)c(=O)cc3C2)no1 ZINC000072302242 191115228 /nfs/dbraw/zinc/11/52/28/191115228.db2.gz FLYFIYHMRSUCAI-UHFFFAOYSA-N 1 0 317.349 0.464 50 0 DCAARO Cc1ncc2c(c1CNC(=O)[C@@H]1CCCC(=O)N1)CC[NH2+]C2 ZINC000072409469 191154025 /nfs/dbraw/zinc/15/40/25/191154025.db2.gz XVARSVMGEONVIA-AWEZNQCLSA-N 1 0 302.378 0.321 50 0 DCAARO Cc1ncc2c(c1CNC(=O)CN1CCCCC1=O)CC[NH2+]C2 ZINC000072417743 191155413 /nfs/dbraw/zinc/15/54/13/191155413.db2.gz UOSDKITYOXKGNI-UHFFFAOYSA-N 1 0 316.405 0.664 50 0 DCAARO O=C(C1CC1)N1CCCN(c2ncnc3c2CC[NH2+]CC3)CC1 ZINC000072435895 191165679 /nfs/dbraw/zinc/16/56/79/191165679.db2.gz AXABQCRMELPFPY-UHFFFAOYSA-N 1 0 315.421 0.614 50 0 DCAARO [NH3+]CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 ZINC000072457698 191172412 /nfs/dbraw/zinc/17/24/12/191172412.db2.gz ZSTZKHKLJJQQPZ-DZGCQCFKSA-N 1 0 316.405 0.422 50 0 DCAARO Cc1nn(C)c2ncnc(NCC[N@@H+]3CCCC[C@@H]3CO)c12 ZINC000072475816 191177492 /nfs/dbraw/zinc/17/74/92/191177492.db2.gz NQGFZTDGRKVYJY-GFCCVEGCSA-N 1 0 304.398 0.930 50 0 DCAARO COc1ccccc1N1C[C@@H](C(=O)N2CC[NH2+]CC2)CC1=O ZINC000003602932 181039028 /nfs/dbraw/zinc/03/90/28/181039028.db2.gz SHCJZCVGJSVRHE-LBPRGKRZSA-N 1 0 303.362 0.480 50 0 DCAARO COc1ccccc1C[C@@H](C)N(C)C(=O)c1cn(CC[NH3+])nn1 ZINC000077355190 191699196 /nfs/dbraw/zinc/69/91/96/191699196.db2.gz FNUJNYBOOJMLFW-GFCCVEGCSA-N 1 0 317.393 0.949 50 0 DCAARO O=C(Cc1cccnc1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077471365 191720463 /nfs/dbraw/zinc/72/04/63/191720463.db2.gz NZILTGZGPSBLSR-QGZVFWFLSA-N 1 0 319.405 0.310 50 0 DCAARO CCc1nc(CN2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)no1 ZINC000237050808 202135605 /nfs/dbraw/zinc/13/56/05/202135605.db2.gz FKKWOOYZBBIDNL-VXGBXAGGSA-N 1 0 307.398 0.404 50 0 DCAARO C[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000237100625 202153913 /nfs/dbraw/zinc/15/39/13/202153913.db2.gz OTZLNLRZPCGCQC-UHFFFAOYSA-N 1 0 304.803 0.690 50 0 DCAARO COC(=O)c1ccc(S(=O)(=O)NCCC[NH3+])cc1Cl ZINC000237152677 202168655 /nfs/dbraw/zinc/16/86/55/202168655.db2.gz HKLRJTLWOSGLAT-UHFFFAOYSA-N 1 0 306.771 0.754 50 0 DCAARO C[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000178605842 198895428 /nfs/dbraw/zinc/89/54/28/198895428.db2.gz PAFRGWXVRIAXLL-SECBINFHSA-N 1 0 314.183 0.961 50 0 DCAARO NC(=O)CN1CC2(CCC1=O)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC000091587329 283288058 /nfs/dbraw/zinc/28/80/58/283288058.db2.gz YKTSOBHCWOQSFU-AWEZNQCLSA-N 1 0 323.437 0.745 50 0 DCAARO C[NH+](C)CC(C)(C)CNC(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000426649566 240354259 /nfs/dbraw/zinc/35/42/59/240354259.db2.gz IOGYLSUCFGEPRJ-UHFFFAOYSA-N 1 0 309.418 0.224 50 0 DCAARO Cc1noc(CN2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000237689552 202329165 /nfs/dbraw/zinc/32/91/65/202329165.db2.gz AQONSKZPZJWYNI-STQMWFEESA-N 1 0 307.398 0.540 50 0 DCAARO [NH3+][C@H]1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000237854986 202370786 /nfs/dbraw/zinc/37/07/86/202370786.db2.gz UDBGIUKNCDBDBO-ZDUSSCGKSA-N 1 0 306.391 0.653 50 0 DCAARO O=C(NCc1cccc(OCC(F)(F)F)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276667814 238323788 /nfs/dbraw/zinc/32/37/88/238323788.db2.gz QOUYOOVKLMZEAA-ZYHUDNBSSA-N 1 0 318.295 0.967 50 0 DCAARO Cc1nc(C)c(CNC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)s1 ZINC000091594999 193078000 /nfs/dbraw/zinc/07/80/00/193078000.db2.gz OKFIMNDXQIRFIF-LLVKDONJSA-N 1 0 310.423 0.573 50 0 DCAARO CC[N@H+](CCO)C[C@@H]1CN(Cc2cccc(C)n2)C[C@@H]1CO ZINC000091468373 193060141 /nfs/dbraw/zinc/06/01/41/193060141.db2.gz MLRFTBADBNLDNY-HZPDHXFCSA-N 1 0 307.438 0.745 50 0 DCAARO Cc1cccc(CC(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c1 ZINC000091738288 193099765 /nfs/dbraw/zinc/09/97/65/193099765.db2.gz RIYXBCBQVVZVLM-IAGOWNOFSA-N 1 0 320.433 0.529 50 0 DCAARO NC(=O)[C@@H]1CCC[N@H+](CCNC(=O)c2ccc3nccn3c2)C1 ZINC000091625194 193080230 /nfs/dbraw/zinc/08/02/30/193080230.db2.gz TUWOMXHNSBPIKW-GFCCVEGCSA-N 1 0 315.377 0.261 50 0 DCAARO C[C@@H]1C[N@H+](CCCn2cnnn2)CC[C@@]1(O)C1CCOCC1 ZINC000091933070 193129007 /nfs/dbraw/zinc/12/90/07/193129007.db2.gz DIYATHNSCIMPCT-HIFRSBDPSA-N 1 0 309.414 0.563 50 0 DCAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)cs1 ZINC000092038111 193146805 /nfs/dbraw/zinc/14/68/05/193146805.db2.gz QNGKSTKJXADONJ-ZIAGYGMSSA-N 1 0 312.435 0.661 50 0 DCAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cn1nc2ccccc2n1 ZINC000219032999 201546704 /nfs/dbraw/zinc/54/67/04/201546704.db2.gz OKZAZGKVCUMJOL-CXOGBFNASA-N 1 0 315.377 0.265 50 0 DCAARO CCC[N@H+]1CCc2nnc(CCNC(=O)[C@@H]3CCCO3)n2CC1 ZINC000012282958 181745555 /nfs/dbraw/zinc/74/55/55/181745555.db2.gz DBUPTTKEDZNGDO-ZDUSSCGKSA-N 1 0 321.425 0.384 50 0 DCAARO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000018240840 182100337 /nfs/dbraw/zinc/10/03/37/182100337.db2.gz OQUXNYAJNVPOOX-AWEZNQCLSA-N 1 0 315.373 0.511 50 0 DCAARO Cc1cc(CN2CCN(c3ncnc4c3cnn4C)CC2)on1 ZINC000022078974 182308287 /nfs/dbraw/zinc/30/82/87/182308287.db2.gz AYFFGAIPGGMLAT-UHFFFAOYSA-N 1 0 313.365 0.982 50 0 DCAARO CC[NH+]1CCN(CC(=O)NC(=O)NCCCOC(C)C)CC1 ZINC000022793312 182335151 /nfs/dbraw/zinc/33/51/51/182335151.db2.gz HGFXPMCCIGWMIX-UHFFFAOYSA-N 1 0 314.430 0.265 50 0 DCAARO CC1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000040473252 183074248 /nfs/dbraw/zinc/07/42/48/183074248.db2.gz SIRWSNNAEOMMFP-UHFFFAOYSA-N 1 0 319.409 0.556 50 0 DCAARO CC(C)[C@@H](CNC(=O)[C@H](C)n1cncn1)[NH+]1CCN(C)CC1 ZINC000042582864 183287001 /nfs/dbraw/zinc/28/70/01/183287001.db2.gz AEAHNJNIXDMMPG-UONOGXRCSA-N 1 0 308.430 0.227 50 0 DCAARO C[NH+]1CCN(CCn2cnc3cc(F)c(F)cc3c2=O)CC1 ZINC000043154222 183341652 /nfs/dbraw/zinc/34/16/52/183341652.db2.gz ZLQIIHLSKJYNBM-UHFFFAOYSA-N 1 0 308.332 0.922 50 0 DCAARO O=C1OCCN1CCn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065395364 184335210 /nfs/dbraw/zinc/33/52/10/184335210.db2.gz LRIXPFSNITZUKT-UHFFFAOYSA-N 1 0 320.374 0.556 50 0 DCAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000065397857 184335866 /nfs/dbraw/zinc/33/58/66/184335866.db2.gz VYAGCLPOZKRMHA-AWEZNQCLSA-N 1 0 304.394 0.802 50 0 DCAARO Cc1nn(CCO)c(C)c1C[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000065552890 184365543 /nfs/dbraw/zinc/36/55/43/184365543.db2.gz JHOXQKWTBXHNRH-CYBMUJFWSA-N 1 0 304.398 0.497 50 0 DCAARO C[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000299738584 533215366 /nfs/dbraw/zinc/21/53/66/533215366.db2.gz CJVZUMHXCINPMU-QWRGUYRKSA-N 1 0 314.382 0.795 50 0 DCAARO COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000237249272 257239305 /nfs/dbraw/zinc/23/93/05/257239305.db2.gz DAHAQXJKTTXPDE-BLLLJJGKSA-N 1 0 319.405 0.563 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000237350592 257239770 /nfs/dbraw/zinc/23/97/70/257239770.db2.gz HCJJSIHXMUHQQI-NTYUQYKDSA-N 1 0 309.391 0.168 50 0 DCAARO Cc1nn(C)c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000521394468 257241427 /nfs/dbraw/zinc/24/14/27/257241427.db2.gz OMXAJHUWOGKENB-QWHCGFSZSA-N 1 0 312.439 0.894 50 0 DCAARO Cc1ccc(C(=O)N2CC[C@](O)(CO)C2)cc1OCCC[NH3+] ZINC000426489405 257249581 /nfs/dbraw/zinc/24/95/81/257249581.db2.gz UAPYLDKDRTYRTN-MRXNPFEDSA-N 1 0 308.378 0.292 50 0 DCAARO CC(C)Cn1c(C[NH3+])nnc1SCc1cc(=O)[nH]c(=O)[nH]1 ZINC000426370908 257253235 /nfs/dbraw/zinc/25/32/35/257253235.db2.gz FBUWHPUGLIDXEW-UHFFFAOYSA-N 1 0 310.383 0.886 50 0 DCAARO O=C1NCCCC[C@@H]1[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000071816993 184850831 /nfs/dbraw/zinc/85/08/31/184850831.db2.gz WPIJATHXMCJGEZ-ZDUSSCGKSA-N 1 0 305.382 0.072 50 0 DCAARO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)C3CC3)CC2)no1 ZINC000085436847 395700334 /nfs/dbraw/zinc/70/03/34/395700334.db2.gz MGIUGWLBZMJWEX-ZDUSSCGKSA-N 1 0 308.382 0.310 50 0 DCAARO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000030142743 395701886 /nfs/dbraw/zinc/70/18/86/395701886.db2.gz ODKDGZIJAATCKW-QWRGUYRKSA-N 1 0 322.409 0.359 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)CN(C)c2cnccn2)CC1 ZINC000089337157 395709866 /nfs/dbraw/zinc/70/98/66/395709866.db2.gz FFFCQAOVVANQGF-UHFFFAOYSA-N 1 0 321.425 0.387 50 0 DCAARO Cc1cc([C@@H]2CCC[N@H+](CCCNS(C)(=O)=O)C2)[nH]n1 ZINC000089599037 395713539 /nfs/dbraw/zinc/71/35/39/395713539.db2.gz QSMFJUIECIFONH-GFCCVEGCSA-N 1 0 300.428 0.837 50 0 DCAARO COC[C@@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)C(C)C ZINC000089791402 395715398 /nfs/dbraw/zinc/71/53/98/395715398.db2.gz JMVITQDTCCNBGJ-OAHLLOKOSA-N 1 0 307.442 0.989 50 0 DCAARO CC(C)N1C(=O)N[C@]2(CC[N@H+](CCCc3cn[nH]c3)C2)C1=O ZINC000089869838 395715830 /nfs/dbraw/zinc/71/58/30/395715830.db2.gz JNQVPJKVOQROQM-HNNXBMFYSA-N 1 0 305.382 0.747 50 0 DCAARO O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037012561 395725569 /nfs/dbraw/zinc/72/55/69/395725569.db2.gz SABVTHQTVOYILS-BDAKNGLRSA-N 1 0 305.256 0.684 50 0 DCAARO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCN2C(=O)NC[C@H]2C1 ZINC000095962709 395740847 /nfs/dbraw/zinc/74/08/47/395740847.db2.gz ILHVLGBEXZTQOW-JSGCOSHPSA-N 1 0 300.362 0.109 50 0 DCAARO C[C@H]1CN(C(=O)C[NH+]2CCC(c3cnn(C)c3)CC2)CCO1 ZINC000097203223 395756099 /nfs/dbraw/zinc/75/60/99/395756099.db2.gz RWAKILMLOIBQBF-ZDUSSCGKSA-N 1 0 306.410 0.847 50 0 DCAARO O=C(CC[NH2+]C1Cc2ccccc2C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000097378086 395757754 /nfs/dbraw/zinc/75/77/54/395757754.db2.gz WKORZMWVBGYEOA-CQSZACIVSA-N 1 0 322.430 0.437 50 0 DCAARO CN1CC[N@H+](C)[C@H](CC(=O)NCCSc2ccccn2)C1 ZINC000097475657 395758077 /nfs/dbraw/zinc/75/80/77/395758077.db2.gz BTETYZGKIYESGQ-CYBMUJFWSA-N 1 0 308.451 0.926 50 0 DCAARO Cn1nnc(-c2ccc(OCC(=O)NCCC[NH+](C)C)cc2)n1 ZINC000096232296 395751093 /nfs/dbraw/zinc/75/10/93/395751093.db2.gz LGNOLJRWNKEJTM-UHFFFAOYSA-N 1 0 318.381 0.324 50 0 DCAARO CC(=O)N1CCN([C@H]2CN(Cc3cc(C)on3)C[C@H]2C)CC1 ZINC000107058219 395784873 /nfs/dbraw/zinc/78/48/73/395784873.db2.gz JTOQIOOWTUCVEZ-WBMJQRKESA-N 1 0 306.410 0.967 50 0 DCAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@@H]1COc2ccccc2C1 ZINC000097515041 395758566 /nfs/dbraw/zinc/75/85/66/395758566.db2.gz NIRDSVUCKKGJOE-ZDUSSCGKSA-N 1 0 312.373 0.854 50 0 DCAARO COCC[N@@H+]1CC[C@@H](C(=O)N(C)Cc2cc(COC)n[nH]2)C1 ZINC000097742957 395760078 /nfs/dbraw/zinc/76/00/78/395760078.db2.gz WHYVWUYRZJUNGE-GFCCVEGCSA-N 1 0 310.398 0.483 50 0 DCAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1cc[nH]n1 ZINC000049543683 395832401 /nfs/dbraw/zinc/83/24/01/395832401.db2.gz FMOHRHZYUWIUEQ-NWDGAFQWSA-N 1 0 305.382 0.729 50 0 biogenic DCAARO Cc1nn(CC(=O)NCC[C@H](C)[NH+]2CCN(C)CC2)c(C)c1C ZINC000215626923 395836721 /nfs/dbraw/zinc/83/67/21/395836721.db2.gz QUECXCQRACTPNN-ZDUSSCGKSA-N 1 0 321.469 0.951 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)NCc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000220312768 395847778 /nfs/dbraw/zinc/84/77/78/395847778.db2.gz GMKXQALTHKGLBC-UHFFFAOYSA-N 1 0 307.442 0.961 50 0 DCAARO Cc1nc(C2CC(O)C2)cc(N2CCN(CC[NH+](C)C)CC2)n1 ZINC000222432075 395852565 /nfs/dbraw/zinc/85/25/65/395852565.db2.gz RBKGNWVXMHOHCG-UHFFFAOYSA-N 1 0 319.453 0.707 50 0 DCAARO Cn1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)ccc1=O ZINC000223567635 395855798 /nfs/dbraw/zinc/85/57/98/395855798.db2.gz SJXOHGUTOWBZQF-SLBVQIDZSA-N 1 0 317.389 0.367 50 0 DCAARO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCC[C@@H]3C[NH3+])cc12 ZINC000124532812 395900495 /nfs/dbraw/zinc/90/04/95/395900495.db2.gz ZNAPWGWPFXMIOR-MFKMUULPSA-N 1 0 323.422 0.682 50 0 DCAARO CC1(C)C[N@H+](CCC2OCCO2)CCN1CCC1OCCO1 ZINC000125027185 395902100 /nfs/dbraw/zinc/90/21/00/395902100.db2.gz KBNFDEHSKRVNTG-UHFFFAOYSA-N 1 0 314.426 0.909 50 0 DCAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCCCc2ccccc2O)C1 ZINC000055108364 395911459 /nfs/dbraw/zinc/91/14/59/395911459.db2.gz WWZSLRHNCUGWJK-AWEZNQCLSA-N 1 0 319.405 0.638 50 0 DCAARO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000225747389 395862945 /nfs/dbraw/zinc/86/29/45/395862945.db2.gz OSCOVMOZBOVKBL-SOUVJXGZSA-N 1 0 323.437 0.567 50 0 DCAARO C[C@@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1[NH+](C)C ZINC000229302452 395874053 /nfs/dbraw/zinc/87/40/53/395874053.db2.gz HLVXECUUTVUYEA-AGIUHOORSA-N 1 0 317.455 0.067 50 0 DCAARO C[C@H](C(=O)N1CCOCC1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229475280 395874842 /nfs/dbraw/zinc/87/48/42/395874842.db2.gz OMNKPVBRMLZXHI-ZIAGYGMSSA-N 1 0 307.398 0.237 50 0 DCAARO CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([NH2+]C)C2)cc1 ZINC000053203030 395878365 /nfs/dbraw/zinc/87/83/65/395878365.db2.gz KRXGYARTVNFZPD-GFCCVEGCSA-N 1 0 311.407 0.419 50 0 DCAARO C[NH+]1CCC(N2CC[C@H](n3c(=O)[nH]c4cncnc43)C2)CC1 ZINC000065256791 395991616 /nfs/dbraw/zinc/99/16/16/395991616.db2.gz XRIAHRSHZMBDJX-LBPRGKRZSA-N 1 0 302.382 0.461 50 0 DCAARO C[NH+]1CCC(N2CCN(c3cc(C(N)=O)ccn3)CC2)CC1 ZINC000065404196 395993329 /nfs/dbraw/zinc/99/33/29/395993329.db2.gz TUCSGGSJSJUPCI-UHFFFAOYSA-N 1 0 303.410 0.397 50 0 DCAARO CSc1ncc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)cn1 ZINC000067974975 396041716 /nfs/dbraw/zinc/04/17/16/396041716.db2.gz ABYUCYAHOVPSRX-QWRGUYRKSA-N 1 0 323.422 0.265 50 0 DCAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000069810313 396090712 /nfs/dbraw/zinc/09/07/12/396090712.db2.gz IVUPHMJIGQIGRA-RDBSUJKOSA-N 1 0 319.409 0.353 50 0 DCAARO COCCN1C(=O)[C@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2C1=O ZINC000169751598 396091157 /nfs/dbraw/zinc/09/11/57/396091157.db2.gz IFQAUPMUZDWFAD-GASCZTMLSA-N 1 0 318.373 0.758 50 0 DCAARO CC(C)(O)C[NH+]1CCN(C(=O)CCNc2ncccn2)CC1 ZINC000069840955 396092353 /nfs/dbraw/zinc/09/23/53/396092353.db2.gz JBUZIIMTBZDKQP-UHFFFAOYSA-N 1 0 307.398 0.194 50 0 DCAARO COc1ccc(CC(=O)N[C@@H]2CN(C)C[C@H]2C[NH+](C)C)cc1 ZINC000169790609 396093431 /nfs/dbraw/zinc/09/34/31/396093431.db2.gz UIBHRHOBANMINZ-GDBMZVCRSA-N 1 0 305.422 0.846 50 0 DCAARO O[C@H](C[NH2+][C@H]1CCc2ncnn2C1)COCc1ccccc1 ZINC000069875312 396093695 /nfs/dbraw/zinc/09/36/95/396093695.db2.gz UIGORRLNQJHNBJ-LSDHHAIUSA-N 1 0 302.378 0.760 50 0 DCAARO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000170070823 396094495 /nfs/dbraw/zinc/09/44/95/396094495.db2.gz XJRMVLXPXKAMND-GXFFZTMASA-N 1 0 303.366 0.883 50 0 DCAARO CCn1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000170660663 396096747 /nfs/dbraw/zinc/09/67/47/396096747.db2.gz JHRBPXXVKMMQPH-CQSZACIVSA-N 1 0 319.409 0.928 50 0 DCAARO C[NH+](C)C[C@H]1CN(C[C@H](O)COCc2cccs2)CCO1 ZINC000070004073 396097231 /nfs/dbraw/zinc/09/72/31/396097231.db2.gz MOLWTYDNTQIKAO-KBPBESRZSA-N 1 0 314.451 0.888 50 0 DCAARO O=C1NCCCC[C@H]1[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000071816991 396116422 /nfs/dbraw/zinc/11/64/22/396116422.db2.gz WPIJATHXMCJGEZ-CYBMUJFWSA-N 1 0 305.382 0.072 50 0 DCAARO Cc1cc(NC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n(C)n1 ZINC000071864396 396119341 /nfs/dbraw/zinc/11/93/41/396119341.db2.gz CRUPMFZLSFREGK-CHWSQXEVSA-N 1 0 309.414 0.054 50 0 DCAARO Cc1cccc(OCCNC(=O)C[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000072267911 396128340 /nfs/dbraw/zinc/12/83/40/396128340.db2.gz YUQXGKKIJNGKLV-INIZCTEOSA-N 1 0 321.421 0.410 50 0 DCAARO O=C(C[NH2+]C[C@H]1CCCN1c1cccnn1)NC1CCOCC1 ZINC000072279442 396128782 /nfs/dbraw/zinc/12/87/82/396128782.db2.gz HRAZTAVZCXHJKN-CQSZACIVSA-N 1 0 319.409 0.330 50 0 DCAARO Cn1ccnc1CN1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000069455787 396079753 /nfs/dbraw/zinc/07/97/53/396079753.db2.gz FYDNJJPLYARKSX-UHFFFAOYSA-N 1 0 305.426 0.550 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000069493124 396080337 /nfs/dbraw/zinc/08/03/37/396080337.db2.gz LTROXEUWPVJFFU-AWEZNQCLSA-N 1 0 307.398 0.218 50 0 DCAARO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)N1CCc2ccccc21 ZINC000069528610 396081841 /nfs/dbraw/zinc/08/18/41/396081841.db2.gz ZEINOANURFEAEM-ZFWWWQNUSA-N 1 0 303.406 0.884 50 0 DCAARO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1cc(C)on1 ZINC000069592231 396083639 /nfs/dbraw/zinc/08/36/39/396083639.db2.gz OMQRWWYFBRDUAB-QWRGUYRKSA-N 1 0 304.354 0.896 50 0 DCAARO Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000262666260 396170124 /nfs/dbraw/zinc/17/01/24/396170124.db2.gz PNRFQIKWGSSJAM-CHWSQXEVSA-N 1 0 311.407 0.145 50 0 DCAARO CCOCCO[C@@H](C)C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000075106158 396176128 /nfs/dbraw/zinc/17/61/28/396176128.db2.gz NYSNLJVTRFVPLA-ZDUSSCGKSA-N 1 0 302.415 0.655 50 0 DCAARO Cn1ccnc1CN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000078777050 396253370 /nfs/dbraw/zinc/25/33/70/396253370.db2.gz DNJTURBQSYAVEM-CQSZACIVSA-N 1 0 305.426 0.549 50 0 DCAARO Cc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078788578 396254750 /nfs/dbraw/zinc/25/47/50/396254750.db2.gz MNOAHQQMJCDZOZ-CVEARBPZSA-N 1 0 303.406 0.990 50 0 DCAARO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O)o1 ZINC000079112764 396262028 /nfs/dbraw/zinc/26/20/28/396262028.db2.gz RMINARGDGYSBSC-MNOVXSKESA-N 1 0 302.396 0.788 50 0 DCAARO CCc1c[nH]nc1C1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000077354568 396219588 /nfs/dbraw/zinc/21/95/88/396219588.db2.gz JDUVTBGEMHNWFJ-UHFFFAOYSA-N 1 0 317.397 0.542 50 0 DCAARO Cc1nn(CCO)cc1CN1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077406180 396221575 /nfs/dbraw/zinc/22/15/75/396221575.db2.gz TUTGKGLSAFTVOD-KRWDZBQOSA-N 1 0 322.453 0.607 50 0 DCAARO Cc1ccnc(C[C@H](C)N(C)C(=O)c2cn(CC[NH3+])nn2)c1 ZINC000077472245 396224278 /nfs/dbraw/zinc/22/42/78/396224278.db2.gz JRGXHAHDJJQCTO-LBPRGKRZSA-N 1 0 302.382 0.643 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1c(C)noc1C ZINC000077555558 396225501 /nfs/dbraw/zinc/22/55/01/396225501.db2.gz WUXUNBLCJNTNFO-YPMHNXCESA-N 1 0 308.382 0.288 50 0 DCAARO Cc1cc2nc(CNC(=O)c3cn(CC[NH3+])nn3)cn2c(C)c1 ZINC000077540809 396225863 /nfs/dbraw/zinc/22/58/63/396225863.db2.gz PFQLYAFKWZRDMP-UHFFFAOYSA-N 1 0 313.365 0.431 50 0 DCAARO COCCn1cc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000282437487 396290252 /nfs/dbraw/zinc/29/02/52/396290252.db2.gz JXKUCLAFKDGEBH-DZGCQCFKSA-N 1 0 321.425 0.908 50 0 DCAARO CN(C)c1ncc(C[NH2+][C@]2(CO)COc3ccccc3C2)cn1 ZINC000527769936 396548143 /nfs/dbraw/zinc/54/81/43/396548143.db2.gz SUAFLUCCXQKHNN-QGZVFWFLSA-N 1 0 314.389 0.998 50 0 DCAARO COC(=O)c1cc(O)cc(C(=O)NC[C@@H]2COCC[N@H+](C)C2)c1 ZINC000584891705 396634109 /nfs/dbraw/zinc/63/41/09/396634109.db2.gz UPZPBMZGQGVUKA-NSHDSACASA-N 1 0 322.361 0.487 50 0 DCAARO C[NH+]1CCN([C@H]2CCN(C(=O)c3cc(F)ccc3O)C2)CC1 ZINC000584900690 396636508 /nfs/dbraw/zinc/63/65/08/396636508.db2.gz QPDCHCXBLOEESU-ZDUSSCGKSA-N 1 0 307.369 0.993 50 0 DCAARO Cc1cccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)c1C ZINC000299745324 396714473 /nfs/dbraw/zinc/71/44/73/396714473.db2.gz XZUCNUXHBFNHHR-CABCVRRESA-N 1 0 303.406 0.675 50 0 DCAARO CCN1C[C@H](S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)CC1=O ZINC000630094163 396939780 /nfs/dbraw/zinc/93/97/80/396939780.db2.gz XZODPCGVFBBART-VXGBXAGGSA-N 1 0 303.428 0.044 50 0 DCAARO C1CCN(c2nc(N3CCCC3)nc(N3CC[NH2+]CC3)n2)C1 ZINC000000305598 415126831 /nfs/dbraw/zinc/12/68/31/415126831.db2.gz XCVMKCYUNNAQAM-UHFFFAOYSA-N 1 0 303.414 0.482 50 0 DCAARO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+]C(C)(C)C)C2=O ZINC000014121010 415147882 /nfs/dbraw/zinc/14/78/82/415147882.db2.gz ORNVJTNEKMIJQI-UHFFFAOYSA-N 1 0 310.398 0.906 50 0 DCAARO [NH3+]CCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000011755724 415148116 /nfs/dbraw/zinc/14/81/16/415148116.db2.gz XJYLOXJZEKSNCD-UHFFFAOYSA-N 1 0 303.815 0.751 50 0 DCAARO CC(C)NC(=O)CSc1nnc(N2CC[NH2+]CC2)s1 ZINC000026421911 415170327 /nfs/dbraw/zinc/17/03/27/415170327.db2.gz BIIXELTZEZUNIT-UHFFFAOYSA-N 1 0 301.441 0.564 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000044332067 415219455 /nfs/dbraw/zinc/21/94/55/415219455.db2.gz WJBKZTRALYELSX-ZIAGYGMSSA-N 1 0 311.426 0.328 50 0 DCAARO Cn1cc(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000044971177 415239328 /nfs/dbraw/zinc/23/93/28/415239328.db2.gz GNEGDIZOTKQRIY-UHFFFAOYSA-N 1 0 314.393 0.889 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCn2ccnc2)C1 ZINC000044966638 415240933 /nfs/dbraw/zinc/24/09/33/415240933.db2.gz NYXKVHZAVJQFGI-AWEZNQCLSA-N 1 0 309.414 0.539 50 0 DCAARO Cc1cc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)nc(N)[nH+]1 ZINC000045725682 415252757 /nfs/dbraw/zinc/25/27/57/415252757.db2.gz CJKXHAFFBWBXBI-GFCCVEGCSA-N 1 0 305.382 0.442 50 0 DCAARO CC(=O)N[C@@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000048355666 415291825 /nfs/dbraw/zinc/29/18/25/415291825.db2.gz XRKDFMZYIWIQEC-LSDHHAIUSA-N 1 0 313.442 0.620 50 0 DCAARO Cc1cnc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000060359767 415340951 /nfs/dbraw/zinc/34/09/51/415340951.db2.gz AIWDEQVRXFVVKO-AWEZNQCLSA-N 1 0 319.409 0.458 50 0 DCAARO CN1CCNC(=O)C12CCN(C(=O)CCc1cccnc1)CC2 ZINC000067895369 415391154 /nfs/dbraw/zinc/39/11/54/415391154.db2.gz OMDGKZQCLUWAEN-UHFFFAOYSA-N 1 0 316.405 0.437 50 0 DCAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cn(C)c(C)n1 ZINC000072300163 415413589 /nfs/dbraw/zinc/41/35/89/415413589.db2.gz CXUCGLVXHWXCAB-CHWSQXEVSA-N 1 0 312.439 0.976 50 0 DCAARO O=C(C[NH2+]CCn1cccn1)NC[C@H]1COc2ccccc2O1 ZINC000075133265 415436109 /nfs/dbraw/zinc/43/61/09/415436109.db2.gz PAXGSVXTYUUCNC-ZDUSSCGKSA-N 1 0 316.361 0.429 50 0 DCAARO C[C@H](C(=O)N1CCCC1)[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075132944 415439744 /nfs/dbraw/zinc/43/97/44/415439744.db2.gz JJUMLBRWFDRNDU-CYBMUJFWSA-N 1 0 308.426 0.829 50 0 DCAARO COc1cccc2c1OCCCN(C[C@@]1(O)C[NH2+]CCOC1)C2 ZINC000077505883 415462836 /nfs/dbraw/zinc/46/28/36/415462836.db2.gz ZGRWFIQWVVGQKU-KRWDZBQOSA-N 1 0 322.405 0.631 50 0 DCAARO CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NS(C)(=O)=O ZINC000096493457 415579084 /nfs/dbraw/zinc/57/90/84/415579084.db2.gz DSRPMQPXLJPSQS-TUAOUCFPSA-N 1 0 302.440 0.861 50 0 DCAARO Cn1cc(N2CC[C@H]([NH2+][C@H](CO)c3ccccc3)C2=O)cn1 ZINC000097081907 415581447 /nfs/dbraw/zinc/58/14/47/415581447.db2.gz MUKGMNKPBMBGKP-LSDHHAIUSA-N 1 0 300.362 0.849 50 0 DCAARO Cc1n[nH]cc1C[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000097160111 415585127 /nfs/dbraw/zinc/58/51/27/415585127.db2.gz YDEALVMRYXSOMG-UHFFFAOYSA-N 1 0 308.407 0.927 50 0 DCAARO COC(=O)c1cn(C2CC[NH+](CCn3cccn3)CC2)nn1 ZINC000097376370 415591191 /nfs/dbraw/zinc/59/11/91/415591191.db2.gz MFSREKNRLPXVLC-UHFFFAOYSA-N 1 0 304.354 0.598 50 0 DCAARO C[NH+]1CCN([C@H]2CCN(C(=O)CCCn3cccn3)C2)CC1 ZINC000299787548 416069030 /nfs/dbraw/zinc/06/90/30/416069030.db2.gz OZFQJXTVSZIRSN-HNNXBMFYSA-N 1 0 305.426 0.512 50 0 DCAARO O=C(NCC[N@H+]1CCC[C@H](CO)C1)c1c[nH]c(=O)c(Cl)c1 ZINC000299789667 416069334 /nfs/dbraw/zinc/06/93/34/416069334.db2.gz ZTPHRHWWZUBISH-JTQLQIEISA-N 1 0 313.785 0.875 50 0 DCAARO C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)Cc1cccnc1 ZINC000299802934 416070692 /nfs/dbraw/zinc/07/06/92/416070692.db2.gz SMZHQLAPDPDACB-OAHLLOKOSA-N 1 0 318.421 0.683 50 0 DCAARO O=C(COc1ccccc1)NCCc1nnc2n1CC[NH2+]CC2 ZINC000299799750 416071787 /nfs/dbraw/zinc/07/17/87/416071787.db2.gz RSESVCJZHNRMNE-UHFFFAOYSA-N 1 0 315.377 0.162 50 0 DCAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000178991201 416179121 /nfs/dbraw/zinc/17/91/21/416179121.db2.gz QMNFYGGUXABROY-RYUDHWBXSA-N 1 0 322.409 0.307 50 0 DCAARO C[C@@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)C[C@@H](C)[NH2+]1 ZINC000179147375 416183102 /nfs/dbraw/zinc/18/31/02/416183102.db2.gz AXEZLHAFZITWRR-GHMZBOCLSA-N 1 0 311.407 0.298 50 0 DCAARO C[C@@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)C[C@@H](C)[NH2+]1 ZINC000179149702 416183154 /nfs/dbraw/zinc/18/31/54/416183154.db2.gz SZRYUUMEBGNMRQ-GHMZBOCLSA-N 1 0 311.407 0.298 50 0 DCAARO c1ncn(CC[N@@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000229948098 416328120 /nfs/dbraw/zinc/32/81/20/416328120.db2.gz UWYDCLQLZWCBLW-IAGOWNOFSA-N 1 0 313.405 0.863 50 0 DCAARO CCn1c(CN2CC[C@H](NC(C)=O)C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000243932496 416330380 /nfs/dbraw/zinc/33/03/80/416330380.db2.gz BWDIKCMBRFLRLB-AVGNSLFASA-N 1 0 306.414 0.213 50 0 DCAARO Cc1nc(CNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)no1 ZINC000244774225 416331207 /nfs/dbraw/zinc/33/12/07/416331207.db2.gz PPXAWIUIOJTSFI-AOOOYVTPSA-N 1 0 305.342 0.342 50 0 DCAARO COCC[N@@H+]1CCC[C@H](CN(C)C(=O)c2csc(N)n2)C1 ZINC000584900916 416516953 /nfs/dbraw/zinc/51/69/53/416516953.db2.gz BNQLOMODIAKXGD-LLVKDONJSA-N 1 0 312.439 1.156 50 0 DCAARO Cc1ccc(C(=O)NCc2nnc(N)s2)cc1OCCC[NH3+] ZINC000426361246 416762048 /nfs/dbraw/zinc/76/20/48/416762048.db2.gz UMXNXQNZXIQQBW-UHFFFAOYSA-N 1 0 321.406 1.086 50 0 DCAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2nc(N)nc(N(C)C)n2)C1 ZINC000426574917 416775925 /nfs/dbraw/zinc/77/59/25/416775925.db2.gz MGJOBSBJMVUTHL-NSHDSACASA-N 1 0 321.429 0.256 50 0 DCAARO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000370211015 416890134 /nfs/dbraw/zinc/89/01/34/416890134.db2.gz AWJIIONDWCWIPA-NEPJUHHUSA-N 1 0 320.459 0.179 50 0 DCAARO [NH3+]CCn1cc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)nn1 ZINC000576242091 417594622 /nfs/dbraw/zinc/59/46/22/417594622.db2.gz OKLZEUHPWIHITG-ZDUSSCGKSA-N 1 0 307.398 0.801 50 0 DCAARO CO[C@H]1CN(C(=O)c2cc3c(cc2C)OCCO3)CC[C@H]1[NH3+] ZINC000071750358 277749142 /nfs/dbraw/zinc/74/91/42/277749142.db2.gz LIEAXBUTGFUTJM-DOMZBBRYSA-N 1 0 306.362 0.954 50 0 DCAARO Cc1cnn(CCNC(=O)CC[C@H](C)[NH+]2CCN(C)CC2)c1 ZINC000534590926 334294279 /nfs/dbraw/zinc/29/42/79/334294279.db2.gz PQFVJCYCOIZCQF-HNNXBMFYSA-N 1 0 307.442 0.724 50 0 DCAARO O=S(=O)(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(F)c(F)c1F ZINC000534644724 334306629 /nfs/dbraw/zinc/30/66/29/334306629.db2.gz GVHWCMCMTAHICB-HTQZYQBOSA-N 1 0 310.297 0.105 50 0 DCAARO CCS(=O)(=O)NC[C@@H](C)[NH2+]CC1(Cn2cccn2)CC1 ZINC000534650576 334311802 /nfs/dbraw/zinc/31/18/02/334311802.db2.gz PLQGNSAPIGDXAF-GFCCVEGCSA-N 1 0 300.428 0.581 50 0 DCAARO Cn1ccn2ncc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)c12 ZINC000534651785 334312372 /nfs/dbraw/zinc/31/23/72/334312372.db2.gz HWWLODTWVFRYAZ-STQMWFEESA-N 1 0 303.366 0.266 50 0 DCAARO CN(Cc1cnc2ccccc2n1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000534663295 334322575 /nfs/dbraw/zinc/32/25/75/334322575.db2.gz XQKZZRULQGHIJR-CYBMUJFWSA-N 1 0 300.362 0.967 50 0 DCAARO C[C@@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)C[C@@H](C)[NH2+]1 ZINC000154235304 524770281 /nfs/dbraw/zinc/77/02/81/524770281.db2.gz MOWJCRFMRQRQNL-VXGBXAGGSA-N 1 0 305.378 0.763 50 0 DCAARO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000091496826 545718653 /nfs/dbraw/zinc/71/86/53/545718653.db2.gz NJDQQIQXLPAJDM-PWSUYJOCSA-N 1 0 312.391 0.877 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CNC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC000215906429 545938542 /nfs/dbraw/zinc/93/85/42/545938542.db2.gz BXXSHIHZUWDWFT-ZDUSSCGKSA-N 1 0 322.409 0.014 50 0 DCAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1ccccn1 ZINC000222728170 545942480 /nfs/dbraw/zinc/94/24/80/545942480.db2.gz CERVLHXIMJQPJW-HZPDHXFCSA-N 1 0 321.421 0.866 50 0 DCAARO C[NH+](C)CCc1ccc(NC(=O)C2(n3cnnn3)CC2)cc1 ZINC000585102495 546303483 /nfs/dbraw/zinc/30/34/83/546303483.db2.gz OXMZXFRZYDWISP-UHFFFAOYSA-N 1 0 300.366 0.905 50 0 DCAARO CN(C)c1nc2c(c(N3CC[N@H+](C)[C@@H](CCO)C3)n1)CCCC2 ZINC000670442949 547092552 /nfs/dbraw/zinc/09/25/52/547092552.db2.gz JTCWJFUEVNVYFI-ZDUSSCGKSA-N 1 0 319.453 0.924 50 0 DCAARO C[C@@H](Cn1cccn1)[NH2+]C1CCN(C(=O)N2CCOCC2)CC1 ZINC000670471126 547100909 /nfs/dbraw/zinc/10/09/09/547100909.db2.gz BCLZBXPWWBRGCJ-AWEZNQCLSA-N 1 0 321.425 0.778 50 0 DCAARO O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1ccc2c[nH+]cn2c1 ZINC000685942763 548747688 /nfs/dbraw/zinc/74/76/88/548747688.db2.gz VJDUIBLQLVSHTA-UONOGXRCSA-N 1 0 313.317 0.634 50 0 DCAARO C[NH+]1CCC(c2ncc(C(=O)N[C@@H]3CCOC[C@@H]3O)[nH]2)CC1 ZINC000685943021 548748319 /nfs/dbraw/zinc/74/83/19/548748319.db2.gz ZTXNHWCXPQDDQK-YPMHNXCESA-N 1 0 308.382 0.099 50 0 DCAARO CCOC(=O)N1CCN(Cc2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000023339388 658765569 /nfs/dbraw/zinc/76/55/69/658765569.db2.gz HRTLXEYIKHLSAE-UHFFFAOYSA-N 1 0 322.413 0.477 50 0 DCAARO COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC000178098436 658850507 /nfs/dbraw/zinc/85/05/07/658850507.db2.gz DPFRICKNBRHEDL-LBPRGKRZSA-N 1 0 306.366 0.280 50 0 DCAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C1(Cn2ccnc2)CC1 ZINC000220340361 669779170 /nfs/dbraw/zinc/77/91/70/669779170.db2.gz PHRNCFUECSWTGX-XJFOESAGSA-N 1 0 304.394 0.497 50 0 DCAARO CCCOC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC000952972038 685600127 /nfs/dbraw/zinc/60/01/27/685600127.db2.gz URZWFOKVWPCQOX-KBPBESRZSA-N 1 0 311.426 0.459 50 0 DCAARO CCCC[C@@H]1C(=O)N(C)CCN1C(=O)CN1CCC[N@H+](C)CC1 ZINC000952984550 685601575 /nfs/dbraw/zinc/60/15/75/685601575.db2.gz VUWJRTYNLGSMOF-OAHLLOKOSA-N 1 0 324.469 0.483 50 0 DCAARO CNS(=O)(=O)CCNC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000952985847 685601976 /nfs/dbraw/zinc/60/19/76/685601976.db2.gz FFJXCIQKJBSTFP-UHFFFAOYSA-N 1 0 319.471 0.599 50 0 DCAARO COC(=O)NCCNC(=O)[C@]1(N(C)C)COc2ccccc2C1 ZINC000952994569 685603785 /nfs/dbraw/zinc/60/37/85/685603785.db2.gz XSDDRBBNZMSJSA-MRXNPFEDSA-N 1 0 321.377 0.394 50 0 DCAARO Cc1cc(=O)c(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)c[nH]1 ZINC000072421727 685074498 /nfs/dbraw/zinc/07/44/98/685074498.db2.gz WTUFCJSWAZXJIN-UHFFFAOYSA-N 1 0 312.373 0.962 50 0 DCAARO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(CO)o1)CC2 ZINC000092019841 685106530 /nfs/dbraw/zinc/10/65/30/685106530.db2.gz CJXKEZFVUWTGTJ-KGLIPLIRSA-N 1 0 324.377 0.103 50 0 DCAARO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)c1ccncn1)CC2 ZINC000169789999 685141162 /nfs/dbraw/zinc/14/11/62/685141162.db2.gz GRECYELRSQOFSW-CYBMUJFWSA-N 1 0 304.394 0.907 50 0 DCAARO Cc1[nH+]c(N2CCCC2)nc(N[C@@H]2C[NH2+][C@H](C(=O)[O-])C2)c1C ZINC001772702341 1157840346 /nfs/dbraw/zinc/84/03/46/1157840346.db2.gz RSGKCDNHTFBSQG-RYUDHWBXSA-N 1 0 305.382 0.921 50 0 DCAARO O=C(C[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1)N1CCc2ccccc21 ZINC001772708845 1157846475 /nfs/dbraw/zinc/84/64/75/1157846475.db2.gz GHGQXYCJCPSENA-CRAIPNDOSA-N 1 0 316.401 0.907 50 0 DCAARO CN(C)S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@@]2(CCc2ccccc2)C1 ZINC001772712111 1157847045 /nfs/dbraw/zinc/84/70/45/1157847045.db2.gz HZMXLWJMOMUBCW-HOTGVXAUSA-N 1 0 323.462 0.947 50 0 DCAARO COc1cc(C)ccc1OCC[N@H+]1C[C@@H]2[C@H](C1)C2(CO)CO ZINC001772711755 1157847067 /nfs/dbraw/zinc/84/70/67/1157847067.db2.gz FOUPPXBGIIQEFO-OKILXGFUSA-N 1 0 307.390 0.915 50 0 DCAARO CN1C(=O)[C@H]2COC[C@@H]1C[N@@H+](Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC001704335891 1179978167 /nfs/dbraw/zinc/97/81/67/1179978167.db2.gz IAAUXZAUXDSTQR-NEPJUHHUSA-N 1 0 316.361 0.959 50 0 DCAARO OCC(CO)[N@H+]1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1 ZINC001704354067 1179983322 /nfs/dbraw/zinc/98/33/22/1179983322.db2.gz YHIXDJHHYXBKPL-CXAGYDPISA-N 1 0 302.374 0.423 50 0 DCAARO C[NH+](C)CCCC[C@@H]1NC(=O)[C@@H](c2ccc(O)cc2)NC1=O ZINC000823693041 758262123 /nfs/dbraw/zinc/26/21/23/758262123.db2.gz HDHVGSISCJZMNW-UONOGXRCSA-N 1 0 305.378 0.780 50 0 DCAARO CNC(=O)c1ccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000823833575 758279636 /nfs/dbraw/zinc/27/96/36/758279636.db2.gz VQQUMJBFLMGKRX-MRXNPFEDSA-N 1 0 320.393 0.924 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)CCCN1CCOCC1 ZINC000828025727 758916973 /nfs/dbraw/zinc/91/69/73/758916973.db2.gz YESFXFBGOLJBHH-UHFFFAOYSA-N 1 0 306.410 0.452 50 0 DCAARO O=S(=O)(C[C@H]1COCCO1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000828388797 759001526 /nfs/dbraw/zinc/00/15/26/759001526.db2.gz IKUWDKKCRWHOAT-CYBMUJFWSA-N 1 0 318.439 0.197 50 0 DCAARO O=S(=O)(NCCC[N@H+]1CCCC[C@@H]1CO)N1CCCC1 ZINC000828711007 759074793 /nfs/dbraw/zinc/07/47/93/759074793.db2.gz XWRDMBJZZLSOPV-CYBMUJFWSA-N 1 0 305.444 0.154 50 0 DCAARO O=C(COc1ccccc1)N1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000581800961 760251131 /nfs/dbraw/zinc/25/11/31/760251131.db2.gz RACNSMFZBSXMGC-CQSZACIVSA-N 1 0 304.390 0.886 50 0 DCAARO O=C(c1n[nH]c2ccccc21)N1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000581800951 760251282 /nfs/dbraw/zinc/25/12/82/760251282.db2.gz NDRIONHBEQQLET-LBPRGKRZSA-N 1 0 314.389 0.997 50 0 DCAARO O=C(N[C@@H]1CCN(c2cc(N3CCOCC3)cn[nH+]2)C1)C1CC1 ZINC000581814748 760256196 /nfs/dbraw/zinc/25/61/96/760256196.db2.gz JALNTUUPGHOCGJ-CYBMUJFWSA-N 1 0 317.393 0.418 50 0 DCAARO Cn1cccc1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 ZINC000585130311 766291877 /nfs/dbraw/zinc/29/18/77/766291877.db2.gz MTEVIBGPMBRNGM-UHFFFAOYSA-N 1 0 319.409 0.150 50 0 DCAARO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Cn3cccn3)C2)cn1 ZINC000952872347 768934419 /nfs/dbraw/zinc/93/44/19/768934419.db2.gz PVWMEAHOSTWNIU-AWEZNQCLSA-N 1 0 316.409 0.645 50 0 DCAARO Cn1ccnc1NC(=O)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC001529106585 1014497289 /nfs/dbraw/zinc/49/72/89/1014497289.db2.gz QDHUGQULYPQWFI-LLVKDONJSA-N 1 0 303.370 0.796 50 0 DCAARO CNS(=O)(=O)CC[NH2+]C1CCN(Cc2ccco2)CC1 ZINC001506407408 1017258056 /nfs/dbraw/zinc/25/80/56/1017258056.db2.gz NVSKAYRTAVOSEJ-UHFFFAOYSA-N 1 0 301.412 0.383 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nc2c(cc1=O)CCCC2 ZINC000095480067 185373468 /nfs/dbraw/zinc/37/34/68/185373468.db2.gz FSUXGFFXCZUHGG-CQSZACIVSA-N 1 0 318.421 0.723 50 0 DCAARO NC(=O)Cn1ccnc1[C@@H]1CCC[N@H+](CCC(=O)NC2CC2)C1 ZINC000095508909 185375831 /nfs/dbraw/zinc/37/58/31/185375831.db2.gz DOLKHUPYOWWVLD-GFCCVEGCSA-N 1 0 319.409 0.217 50 0 DCAARO CCC[NH+]1CCC(N2CCN(C(=O)NCCOC)CC2)CC1 ZINC000079101806 185158265 /nfs/dbraw/zinc/15/82/65/185158265.db2.gz GVIGTJYLYHJGHL-UHFFFAOYSA-N 1 0 312.458 0.834 50 0 DCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)N3CCCC3)CC[C@H]21 ZINC000072473392 290663065 /nfs/dbraw/zinc/66/30/65/290663065.db2.gz NLRUOBOLBKZUDN-UONOGXRCSA-N 1 0 308.426 0.735 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C[C@H]1O ZINC000082106834 192356882 /nfs/dbraw/zinc/35/68/82/192356882.db2.gz TZWXHYCCNOZJOW-DGCLKSJQSA-N 1 0 305.309 0.201 50 0 DCAARO O=S(=O)(CCn1cc([C@H]2CCC[NH2+]C2)nn1)N1CCCC1 ZINC000095390465 185351533 /nfs/dbraw/zinc/35/15/33/185351533.db2.gz UMNRKRKIAJJVSV-LBPRGKRZSA-N 1 0 313.427 0.171 50 0 DCAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(S(N)(=O)=O)c(C)s1 ZINC000408519279 529990370 /nfs/dbraw/zinc/99/03/70/529990370.db2.gz FCBASJRZKDZAOF-VIFPVBQESA-N 1 0 317.436 0.528 50 0 DCAARO O[C@@H](C[NH2+][C@H]1CCc2ncnn2C1)COCc1cccs1 ZINC000069928609 190839623 /nfs/dbraw/zinc/83/96/23/190839623.db2.gz BRSIPGVYOBQUHV-RYUDHWBXSA-N 1 0 308.407 0.822 50 0 DCAARO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H]([NH3+])C3)cc21 ZINC000071100245 190933326 /nfs/dbraw/zinc/93/33/26/190933326.db2.gz UCFDQEFDFDVNAW-GFCCVEGCSA-N 1 0 309.391 0.317 50 0 DCAARO Nc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H]([NH3+])CC1CCCC1)C2 ZINC000071753027 191023407 /nfs/dbraw/zinc/02/34/07/191023407.db2.gz KPAVKFALNXEAMU-LLVKDONJSA-N 1 0 305.382 0.144 50 0 DCAARO O=C(NCCN1CCOCC1)c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000072137301 191046902 /nfs/dbraw/zinc/04/69/02/191046902.db2.gz DIJGIHSPGXQTTC-INIZCTEOSA-N 1 0 303.406 0.826 50 0 DCAARO O=C1OCCN1C1CCN(Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072142081 191049199 /nfs/dbraw/zinc/04/91/99/191049199.db2.gz IUVWFDMRRCEQKM-UHFFFAOYSA-N 1 0 305.382 0.403 50 0 DCAARO COc1nc2c(cc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)CCC2 ZINC000072146613 191053383 /nfs/dbraw/zinc/05/33/83/191053383.db2.gz RSTCXCNGPFLTKD-QGZVFWFLSA-N 1 0 319.405 0.718 50 0 DCAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000072148343 191054107 /nfs/dbraw/zinc/05/41/07/191054107.db2.gz GIFKJAVGEXPVNW-KRWDZBQOSA-N 1 0 320.389 0.873 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000072166132 191065724 /nfs/dbraw/zinc/06/57/24/191065724.db2.gz NZCNTKHOYRDUIR-GFCCVEGCSA-N 1 0 304.394 0.940 50 0 DCAARO COCc1noc(CCNc2ncnc3c2CC[NH2+]CC3)n1 ZINC000072426258 191159905 /nfs/dbraw/zinc/15/99/05/191159905.db2.gz WCYUGSSTARAJGE-UHFFFAOYSA-N 1 0 304.354 0.349 50 0 DCAARO Cc1ncc2c(c1CNC(=O)CN1CCC[C@H](O)C1)CC[NH2+]C2 ZINC000072431110 191162317 /nfs/dbraw/zinc/16/23/17/191162317.db2.gz QUAFRSZRMRQNGQ-AWEZNQCLSA-N 1 0 318.421 0.109 50 0 DCAARO CN1C[C@@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)NC1=O ZINC000072429480 191162624 /nfs/dbraw/zinc/16/26/24/191162624.db2.gz AFODDXSBCDKZON-ZDUSSCGKSA-N 1 0 322.434 0.806 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N(C)C2CCC([NH3+])CC2)[C@@H](C)CO1 ZINC000237522654 202270573 /nfs/dbraw/zinc/27/05/73/202270573.db2.gz KWKZDPWIWPGWPK-ZFDZMSFRSA-N 1 0 305.444 0.542 50 0 DCAARO C[C@H]1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC[NH2+]1 ZINC000237581366 202292224 /nfs/dbraw/zinc/29/22/24/202292224.db2.gz GAUFCJZPKZFQEB-NSHDSACASA-N 1 0 303.341 0.899 50 0 DCAARO C[C@@H]1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC[NH2+]1 ZINC000188367158 200234553 /nfs/dbraw/zinc/23/45/53/200234553.db2.gz GAUFCJZPKZFQEB-LLVKDONJSA-N 1 0 303.341 0.899 50 0 DCAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000237931677 202394262 /nfs/dbraw/zinc/39/42/62/202394262.db2.gz UDBGIUKNCDBDBO-CYBMUJFWSA-N 1 0 306.391 0.653 50 0 DCAARO O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1C[NH2+]CCO1 ZINC000237906139 202386026 /nfs/dbraw/zinc/38/60/26/202386026.db2.gz UHZWQLMZJSWGSV-YPMHNXCESA-N 1 0 323.780 0.550 50 0 DCAARO COC(=O)[C@@H](C)C[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1 ZINC000058393073 291218066 /nfs/dbraw/zinc/21/80/66/291218066.db2.gz MFAUUIAXXWTURW-LBPRGKRZSA-N 1 0 321.377 0.883 50 0 DCAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000237402067 296024197 /nfs/dbraw/zinc/02/41/97/296024197.db2.gz BLJIBDPZMVOHPD-MFKMUULPSA-N 1 0 311.407 0.676 50 0 DCAARO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000192025060 200802073 /nfs/dbraw/zinc/80/20/73/200802073.db2.gz BLHZNGPYENJQKG-JTQLQIEISA-N 1 0 312.395 0.144 50 0 DCAARO Cc1cccc(N2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)c1C ZINC000277738911 238332099 /nfs/dbraw/zinc/33/20/99/238332099.db2.gz XZUCNUXHBFNHHR-LSDHHAIUSA-N 1 0 303.406 0.675 50 0 DCAARO NC(=O)CN1CC2(CCC1=O)CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000091616833 193079573 /nfs/dbraw/zinc/07/95/73/193079573.db2.gz AOSNSNGHFYHOJE-ZDUSSCGKSA-N 1 0 309.410 0.213 50 0 DCAARO CN1CCC[N@H+](C[C@@H]2CN(c3cccnn3)C[C@@H]2CO)CC1 ZINC000091476566 193062305 /nfs/dbraw/zinc/06/23/05/193062305.db2.gz DALSTCWDQNVGMS-HUUCEWRRSA-N 1 0 305.426 0.159 50 0 DCAARO Cc1cccnc1N1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000091693874 193092989 /nfs/dbraw/zinc/09/29/89/193092989.db2.gz IXHKCGFCSOZYSX-CQSZACIVSA-N 1 0 304.394 0.417 50 0 DCAARO COc1cc(N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)ncn1 ZINC000091746289 193100885 /nfs/dbraw/zinc/10/08/85/193100885.db2.gz LJRCMYARQOUKIQ-ZIAGYGMSSA-N 1 0 323.441 0.023 50 0 DCAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(CC(=O)Nc1ccn(C)n1)C2 ZINC000091624874 193081010 /nfs/dbraw/zinc/08/10/10/193081010.db2.gz FPFCHYVREFXWEE-UONOGXRCSA-N 1 0 321.425 0.401 50 0 DCAARO [NH3+]CCN1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000091908491 193125144 /nfs/dbraw/zinc/12/51/44/193125144.db2.gz CPUHISRCOUOADG-UHFFFAOYSA-N 1 0 315.425 0.996 50 0 DCAARO CCCN1CCC[C@]2(CC[N@H+](CC(=O)N3CCOCC3)C2)C1=O ZINC000091915519 193126029 /nfs/dbraw/zinc/12/60/29/193126029.db2.gz OIWUVRZYHVPMIS-QGZVFWFLSA-N 1 0 323.437 0.570 50 0 DCAARO COCCN1CCC[C@]2(CC[N@H+](Cc3nonc3C)C2)C1=O ZINC000091997898 193139950 /nfs/dbraw/zinc/13/99/50/193139950.db2.gz JHSHCDBTPVLYOG-OAHLLOKOSA-N 1 0 308.382 0.839 50 0 DCAARO CCOC(=O)N1CCN(c2cc(C3CC(O)C3)[nH+]c(N)n2)CC1 ZINC000223527572 201648307 /nfs/dbraw/zinc/64/83/07/201648307.db2.gz CYCMEYSXKKCNNS-UHFFFAOYSA-N 1 0 321.381 0.576 50 0 DCAARO CN1CC[NH+](C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019419254 182122622 /nfs/dbraw/zinc/12/26/22/182122622.db2.gz ZOQLEQUDSGFQML-AWEZNQCLSA-N 1 0 308.378 0.540 50 0 DCAARO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2ccccc2Cl)CC1 ZINC000020434640 182216923 /nfs/dbraw/zinc/21/69/23/182216923.db2.gz NOJBWDBMIGUMBD-DGCLKSJQSA-N 1 0 309.797 0.711 50 0 DCAARO C[NH+]1CCC(N2CCN(Cc3ccon3)C[C@@H]2CCO)CC1 ZINC000023095230 182346993 /nfs/dbraw/zinc/34/69/93/182346993.db2.gz BOJORUFSFGQMCA-INIZCTEOSA-N 1 0 308.426 0.637 50 0 DCAARO COCCNC(=O)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127378 182349085 /nfs/dbraw/zinc/34/90/85/182349085.db2.gz CSLYSRZEYUKYOD-UHFFFAOYSA-N 1 0 311.426 0.520 50 0 DCAARO O=C(Cn1nnc2ccccc2c1=O)NCC[NH+]1CCCCC1 ZINC000040534250 183094839 /nfs/dbraw/zinc/09/48/39/183094839.db2.gz GGOPHYYJZUONJE-UHFFFAOYSA-N 1 0 315.377 0.394 50 0 DCAARO O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000040834022 183140243 /nfs/dbraw/zinc/14/02/43/183140243.db2.gz BWQZDPCKHIRQEQ-MWLCHTKSSA-N 1 0 304.268 0.924 50 0 DCAARO NC(=O)[C@@H]1CCC[N@H+](CCn2cnc3cc(F)ccc3c2=O)C1 ZINC000042437780 183270492 /nfs/dbraw/zinc/27/04/92/183270492.db2.gz VCHCKIIMSLYICR-LLVKDONJSA-N 1 0 318.352 0.733 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)Cn2ccnc2)C1 ZINC000106564387 194230584 /nfs/dbraw/zinc/23/05/84/194230584.db2.gz QYKLIZKZMGNNHW-CABCVRRESA-N 1 0 323.441 0.928 50 0 DCAARO C[NH+](C)C1(CNC(=O)N[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000053507726 183904405 /nfs/dbraw/zinc/90/44/05/183904405.db2.gz YFPSQWFNNCVRCK-LBPRGKRZSA-N 1 0 317.455 0.737 50 0 DCAARO O=C(C1CC1)N1CCC([NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000058344968 184106984 /nfs/dbraw/zinc/10/69/84/184106984.db2.gz WHWHSAPPBRWSLK-LBPRGKRZSA-N 1 0 303.410 0.915 50 0 DCAARO COCC[N@@H+]1CCCN(C(=O)N[C@H](C)c2nncn2C)CC1 ZINC000065437109 184345292 /nfs/dbraw/zinc/34/52/92/184345292.db2.gz VAHIYZPMFWIKAL-GFCCVEGCSA-N 1 0 310.402 0.240 50 0 DCAARO CC[NH+]1CCN(CCNC(=O)c2cc(CC(C)C)n[nH]2)CC1 ZINC000065443418 184346270 /nfs/dbraw/zinc/34/62/70/184346270.db2.gz FQHAWFRZQVSGAK-UHFFFAOYSA-N 1 0 307.442 0.976 50 0 DCAARO CCn1cc(C2CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC2)cn1 ZINC000065458390 184348499 /nfs/dbraw/zinc/34/84/99/184348499.db2.gz RAPDDLNKLULNDM-LLVKDONJSA-N 1 0 307.398 0.927 50 0 DCAARO CC(C)[NH+]1CCN(C(=O)CCn2cc3[nH]cccc-3c2=O)CC1 ZINC000065462505 184348950 /nfs/dbraw/zinc/34/89/50/184348950.db2.gz PTBTXWFAGHAUPA-UHFFFAOYSA-N 1 0 316.405 0.980 50 0 DCAARO CC(C)N(C)S(=O)(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000065406052 184338580 /nfs/dbraw/zinc/33/85/80/184338580.db2.gz LJSCWPSOGWXFJU-AWEZNQCLSA-N 1 0 319.471 0.758 50 0 DCAARO Cc1nn(CC[N@@H+]2CCC[C@@H](CO)C2)cc1CN1CCOCC1 ZINC000065507344 184356915 /nfs/dbraw/zinc/35/69/15/184356915.db2.gz XTNFMQKPGDKNLZ-MRXNPFEDSA-N 1 0 322.453 0.728 50 0 DCAARO O=S1(=O)C[C@H](O)[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)C1 ZINC000023248952 285074099 /nfs/dbraw/zinc/07/40/99/285074099.db2.gz FZQXFCKUFDXIGB-OAGGEKHMSA-N 1 0 324.446 0.571 50 0 DCAARO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238000606 257237933 /nfs/dbraw/zinc/23/79/33/257237933.db2.gz SPNUMTUZYABINZ-ONOSFVFSSA-N 1 0 319.188 0.866 50 0 DCAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCn1ccnc1 ZINC000426740478 257243317 /nfs/dbraw/zinc/24/33/17/257243317.db2.gz KWFUPMZPQBQFCF-CYBMUJFWSA-N 1 0 302.382 0.363 50 0 DCAARO Cc1nc[nH]c1CNC(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426508132 257248552 /nfs/dbraw/zinc/24/85/52/257248552.db2.gz SFYUBIVPTLJBID-GFCCVEGCSA-N 1 0 302.382 0.698 50 0 DCAARO CC(C)n1cnnc1CN(C)C(=O)CC[N@H+](C)[C@@H]1CCN(C)C1 ZINC000426505685 257248635 /nfs/dbraw/zinc/24/86/35/257248635.db2.gz GXQRTCDGTROGNE-CQSZACIVSA-N 1 0 322.457 0.843 50 0 DCAARO C[NH+]1CCC(CC(=O)NCc2nc(-c3cnccn3)n[nH]2)CC1 ZINC000426399113 257251399 /nfs/dbraw/zinc/25/13/99/257251399.db2.gz YKNRSOXSKRHRBU-UHFFFAOYSA-N 1 0 315.381 0.610 50 0 DCAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Cc1c(C)nc2ccccn21 ZINC000426374410 257252330 /nfs/dbraw/zinc/25/23/30/257252330.db2.gz QTOZMSYLNIILRL-JSGCOSHPSA-N 1 0 302.378 0.630 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000071877456 184883406 /nfs/dbraw/zinc/88/34/06/184883406.db2.gz OMCKKUFXZGQKJK-CQSZACIVSA-N 1 0 301.394 0.766 50 0 DCAARO Cc1nnc(CN(C)CC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])n1C ZINC000122122010 132161491 /nfs/dbraw/zinc/16/14/91/132161491.db2.gz DTIZQLDVXOWDTN-DGCLKSJQSA-N 1 0 308.430 0.284 50 0 DCAARO O=c1[nH]nc2c(N3CCC([NH2+]C4CCOCC4)CC3)nccn12 ZINC000067350058 134834204 /nfs/dbraw/zinc/83/42/04/134834204.db2.gz YICULFXPXHKBPX-UHFFFAOYSA-N 1 0 318.381 0.155 50 0 DCAARO COc1ccc(S(=O)(=O)NCCC[NH+](C)C)c(OC)c1 ZINC000008705308 395684964 /nfs/dbraw/zinc/68/49/64/395684964.db2.gz GCNUBQHQDXOGEB-UHFFFAOYSA-N 1 0 302.396 0.934 50 0 DCAARO CC[N@H+](CCC(=O)NC(N)=O)CC(=O)NCc1ccc(F)cc1 ZINC000011184885 395686395 /nfs/dbraw/zinc/68/63/95/395686395.db2.gz DOUNTFIEZMPCDP-UHFFFAOYSA-N 1 0 324.356 0.349 50 0 DCAARO COc1ccc(OC)c(COC[C@H](O)C[NH2+]C(C)(C)CO)c1 ZINC000012381817 395687555 /nfs/dbraw/zinc/68/75/55/395687555.db2.gz DUBZARWNGLSMGO-CYBMUJFWSA-N 1 0 313.394 0.942 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1nnnc1CN(C)C(C)C ZINC000012458263 395687771 /nfs/dbraw/zinc/68/77/71/395687771.db2.gz GXUJNDIBUPQDQD-ZDUSSCGKSA-N 1 0 323.445 0.114 50 0 DCAARO CN1CCC[C@@](O)(C[NH2+]CCCn2ncc3ccccc32)C1=O ZINC000014969696 395689769 /nfs/dbraw/zinc/68/97/69/395689769.db2.gz UXNJDRDSNBWNCD-QGZVFWFLSA-N 1 0 316.405 0.999 50 0 DCAARO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CNC(=O)N1 ZINC000089314284 395709791 /nfs/dbraw/zinc/70/97/91/395709791.db2.gz SWGIYMXLVUUNIR-CYBMUJFWSA-N 1 0 324.812 0.912 50 0 DCAARO NC(=O)C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000032668139 395712312 /nfs/dbraw/zinc/71/23/12/395712312.db2.gz NRZHLRXKPGPTQI-UHFFFAOYSA-N 1 0 301.346 0.480 50 0 DCAARO COC(=O)[C@H]1C[C@@H]([N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)[C@@H](O)C1 ZINC000089755585 395714976 /nfs/dbraw/zinc/71/49/76/395714976.db2.gz XKCCSQWBVUGRCU-BEAPCOKYSA-N 1 0 307.394 0.597 50 0 DCAARO C[NH+](C)CCNC(=O)c1nc[nH]c1C(=O)NCc1ccccn1 ZINC000033317529 395716893 /nfs/dbraw/zinc/71/68/93/395716893.db2.gz MWRTUKOJIRTLSA-UHFFFAOYSA-N 1 0 316.365 0.026 50 0 DCAARO C[C@@H](CNS(=O)(=O)N1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000089929747 395717184 /nfs/dbraw/zinc/71/71/84/395717184.db2.gz YHEABSAPVWVBMY-STQMWFEESA-N 1 0 305.444 0.416 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000036297751 395722820 /nfs/dbraw/zinc/72/28/20/395722820.db2.gz OQMRTSYLFSENPN-SCRDCRAPSA-N 1 0 313.423 0.630 50 0 DCAARO Cc1ccn(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(=O)c1 ZINC000096455275 395753763 /nfs/dbraw/zinc/75/37/63/395753763.db2.gz BGOCARABDFFGFV-HNNXBMFYSA-N 1 0 321.421 0.630 50 0 DCAARO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cnccn1 ZINC000097237872 395756483 /nfs/dbraw/zinc/75/64/83/395756483.db2.gz NYRGTESWVYFOAC-OAHLLOKOSA-N 1 0 312.373 0.973 50 0 DCAARO Cc1nc[nH]c1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H](O)C1 ZINC000097514427 395758818 /nfs/dbraw/zinc/75/88/18/395758818.db2.gz PLOVOXUYFYQMOS-CYBMUJFWSA-N 1 0 301.350 0.436 50 0 DCAARO CC(=O)N1CC[N@@H+](C2CCN(Cc3ccco3)CC2)C[C@H](O)C1 ZINC000097634939 395759058 /nfs/dbraw/zinc/75/90/58/395759058.db2.gz FFBIKTUDBPOIDZ-MRXNPFEDSA-N 1 0 321.421 0.769 50 0 DCAARO CC[N@@H+]1CC[C@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 ZINC000097657155 395759811 /nfs/dbraw/zinc/75/98/11/395759811.db2.gz QMLZLTJOMYOLKY-ZDUSSCGKSA-N 1 0 304.394 0.818 50 0 DCAARO C[NH+]1CCN(c2cc(CNC(=O)N3CCOCC3)ccn2)CC1 ZINC000045846082 395767209 /nfs/dbraw/zinc/76/72/09/395767209.db2.gz FJBWHPMFXCHVJN-UHFFFAOYSA-N 1 0 319.409 0.375 50 0 DCAARO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(CCOc2ccccc2)CC1 ZINC000102522046 395770533 /nfs/dbraw/zinc/77/05/33/395770533.db2.gz NZESFWOHBLYZCU-FVQHAEBGSA-N 1 0 315.417 0.675 50 0 DCAARO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000046147911 395771372 /nfs/dbraw/zinc/77/13/72/395771372.db2.gz NDARZRZEJYSWRG-LSDHHAIUSA-N 1 0 301.390 0.855 50 0 DCAARO OCCN1CC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C[C@H](O)C1 ZINC000225333213 395858755 /nfs/dbraw/zinc/85/87/55/395858755.db2.gz YILWJDFUOCKEOK-GFCCVEGCSA-N 1 0 322.434 0.609 50 0 DCAARO CN(C)C(=O)C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000048355919 395813959 /nfs/dbraw/zinc/81/39/59/395813959.db2.gz HGJNAGQVSRGFAY-UHFFFAOYSA-N 1 0 303.362 0.693 50 0 DCAARO CCn1nccc1C(=O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000214954296 395836756 /nfs/dbraw/zinc/83/67/56/395836756.db2.gz WJBSAJKQSRDZFY-INIZCTEOSA-N 1 0 317.437 0.755 50 0 DCAARO CC[N@@H+]1CCN(Cc2ccc(OCC(N)=O)cc2)C[C@@H](O)C1 ZINC000217823223 395840829 /nfs/dbraw/zinc/84/08/29/395840829.db2.gz UATKSVIOIMTXCE-AWEZNQCLSA-N 1 0 307.394 0.049 50 0 DCAARO CC(C)[N@@H+]1CCCC[C@H]1CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000219689414 395846507 /nfs/dbraw/zinc/84/65/07/395846507.db2.gz FQVBALFTYMVHAM-LBPRGKRZSA-N 1 0 322.409 0.456 50 0 DCAARO Nc1cc(N2CCCn3nc([C@@H](O)C4CC4)cc3C2)nc(N)n1 ZINC000222448468 395852694 /nfs/dbraw/zinc/85/26/94/395852694.db2.gz BPUJUVGUDYZLRM-AWEZNQCLSA-N 1 0 315.381 0.691 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000124615202 395901230 /nfs/dbraw/zinc/90/12/30/395901230.db2.gz GGYCEVDPIMUAFW-SECBINFHSA-N 1 0 306.757 0.750 50 0 DCAARO NC(=O)Cn1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000229830888 395876868 /nfs/dbraw/zinc/87/68/68/395876868.db2.gz YSNUXGSBMGIHDI-NEPJUHHUSA-N 1 0 306.370 0.117 50 0 DCAARO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000230104177 395878057 /nfs/dbraw/zinc/87/80/57/395878057.db2.gz SCCPGHDSNBTMEL-WFASDCNBSA-N 1 0 319.380 0.789 50 0 DCAARO CCCc1nc(CN(CC)C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)no1 ZINC000063833080 395983409 /nfs/dbraw/zinc/98/34/09/395983409.db2.gz ZMXGPLNJVMEYJI-NSHDSACASA-N 1 0 306.370 0.664 50 0 DCAARO CCOc1ccc(CN2CC[C@@H](NC(=O)C[NH+](C)C)C2)cn1 ZINC000065267465 395992265 /nfs/dbraw/zinc/99/22/65/395992265.db2.gz SFOUONQNWQVGLU-CQSZACIVSA-N 1 0 306.410 0.732 50 0 DCAARO C[C@H]1CN(C(=O)CN2CCN(c3ccccn3)CC2)C[C@H](C)[NH2+]1 ZINC000153972102 396027938 /nfs/dbraw/zinc/02/79/38/396027938.db2.gz JZNRPAMZTBHHMZ-GJZGRUSLSA-N 1 0 317.437 0.412 50 0 DCAARO CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)C[NH3+])CC1 ZINC000067742179 396032615 /nfs/dbraw/zinc/03/26/15/396032615.db2.gz OPTJXJUKDPGEMC-UHFFFAOYSA-N 1 0 307.398 0.990 50 0 DCAARO CCCCc1nc(C)cc(NCCNC(=O)[C@@H]2C[C@@H]([NH3+])CN2)n1 ZINC000067774504 396033519 /nfs/dbraw/zinc/03/35/19/396033519.db2.gz CKOOXTZYDDEUGO-OLZOCXBDSA-N 1 0 320.441 0.345 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1nc(C(C)C)cs1 ZINC000067947692 396039679 /nfs/dbraw/zinc/03/96/79/396039679.db2.gz MKCTVDKKEFSKQK-KOLCDFICSA-N 1 0 310.423 0.944 50 0 DCAARO COc1ccccc1CNC(=O)CC[N@H+](C)[C@H]1COC[C@@H]1O ZINC000252483740 396020125 /nfs/dbraw/zinc/02/01/25/396020125.db2.gz FHPPYGCOEVLTPT-KBPBESRZSA-N 1 0 308.378 0.393 50 0 DCAARO C[C@@H]1CN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C[C@H](C)[NH2+]1 ZINC000153161870 396021517 /nfs/dbraw/zinc/02/15/17/396021517.db2.gz ZUSBNOLOJANKGA-CZXYNIEVSA-N 1 0 317.389 0.773 50 0 DCAARO C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)CCO1 ZINC000069652607 396085806 /nfs/dbraw/zinc/08/58/06/396085806.db2.gz NRNUKXKQPKUSLI-KBPBESRZSA-N 1 0 307.398 0.237 50 0 DCAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(=O)n3ccccc3n1)CC2 ZINC000069700098 396087015 /nfs/dbraw/zinc/08/70/15/396087015.db2.gz FGSAZGRAPQJNQU-LBPRGKRZSA-N 1 0 324.388 0.953 50 0 DCAARO O=C(C[NH2+][C@H]1CCc2ncnn2C1)Nc1ccc(Cl)cn1 ZINC000069739532 396088787 /nfs/dbraw/zinc/08/87/87/396088787.db2.gz FQBDPRLGEWJJEK-JTQLQIEISA-N 1 0 306.757 0.870 50 0 DCAARO COC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@H](C)O)CC1 ZINC000069847679 396091877 /nfs/dbraw/zinc/09/18/77/396091877.db2.gz RIDCKLYMDDJZSB-JSGCOSHPSA-N 1 0 312.410 0.633 50 0 DCAARO COc1cccc(CNC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000069840898 396092083 /nfs/dbraw/zinc/09/20/83/396092083.db2.gz UXPJTAZZBDUODS-CJNGLKHVSA-N 1 0 321.421 0.620 50 0 DCAARO COCC[NH+]1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000069840692 396092319 /nfs/dbraw/zinc/09/23/19/396092319.db2.gz ILHKPTBCICSGGR-UHFFFAOYSA-N 1 0 316.405 0.767 50 0 DCAARO CNC(=O)COc1ccc(CN2CC[NH2+]C[C@H]2C)cc1OC ZINC000170082895 396094310 /nfs/dbraw/zinc/09/43/10/396094310.db2.gz GVHSAMUSAJQAGI-GFCCVEGCSA-N 1 0 307.394 0.614 50 0 DCAARO COC(=O)c1cccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1 ZINC000170601728 396095241 /nfs/dbraw/zinc/09/52/41/396095241.db2.gz DCXBIERUVREFPN-MRXNPFEDSA-N 1 0 308.378 0.906 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCS(C)(=O)=O ZINC000069924112 396095341 /nfs/dbraw/zinc/09/53/41/396095341.db2.gz JSTBYRSMTWHRHU-UONOGXRCSA-N 1 0 302.440 0.896 50 0 DCAARO CC[NH+]1CCC(NC(=O)CN2CC(n3cc(C)cn3)C2)CC1 ZINC000070040206 396098890 /nfs/dbraw/zinc/09/88/90/396098890.db2.gz IWXFCXSKLOQTOR-UHFFFAOYSA-N 1 0 305.426 0.649 50 0 DCAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CCO1 ZINC000071821642 396116140 /nfs/dbraw/zinc/11/61/40/396116140.db2.gz FJUZAUCZIIWKRW-GFCCVEGCSA-N 1 0 322.409 0.306 50 0 DCAARO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000071859691 396119701 /nfs/dbraw/zinc/11/97/01/396119701.db2.gz IQVMJDSZVDMASS-ZIAGYGMSSA-N 1 0 321.425 0.576 50 0 DCAARO O=c1cc(C[N@@H+]2CCC[C@H]2Cn2cncn2)nc2ccccn12 ZINC000071875139 396120529 /nfs/dbraw/zinc/12/05/29/396120529.db2.gz WCKDHAPJLYJBIK-AWEZNQCLSA-N 1 0 310.361 0.951 50 0 DCAARO CC(C)c1nc(CN2CCC[N@H+](CCn3cncn3)CC2)no1 ZINC000071871666 396120562 /nfs/dbraw/zinc/12/05/62/396120562.db2.gz LXCQWZORXYSGHQ-UHFFFAOYSA-N 1 0 319.413 0.992 50 0 DCAARO C[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000071877159 396121754 /nfs/dbraw/zinc/12/17/54/396121754.db2.gz ZVPQBHUFLXQWOG-IAQYHMDHSA-N 1 0 300.349 0.997 50 0 DCAARO C[NH+](C)C[C@H]1CN(Cc2nc(-c3cccnc3)no2)CCO1 ZINC000071878841 396121901 /nfs/dbraw/zinc/12/19/01/396121901.db2.gz ZMZOJDOHFTYESZ-ZDUSSCGKSA-N 1 0 303.366 0.894 50 0 DCAARO C[NH+](C)C[C@@H]1CN(CC(=O)NCCc2ccc(F)cc2)CCO1 ZINC000071878879 396122910 /nfs/dbraw/zinc/12/29/10/396122910.db2.gz RUQWQWOOHNDVDD-MRXNPFEDSA-N 1 0 323.412 0.747 50 0 DCAARO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCCO2)CC1 ZINC000071920299 396125571 /nfs/dbraw/zinc/12/55/71/396125571.db2.gz HSPFMSDZQGOZIA-HUUCEWRRSA-N 1 0 312.458 0.738 50 0 DCAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(=O)n(C)n1 ZINC000072234544 396127164 /nfs/dbraw/zinc/12/71/64/396127164.db2.gz KKJXWAGCJCTLGI-KBPBESRZSA-N 1 0 304.394 0.869 50 0 DCAARO O=C(CCCn1cccn1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269015 396128359 /nfs/dbraw/zinc/12/83/59/396128359.db2.gz OFILMCOPBRWIQA-LSDHHAIUSA-N 1 0 306.410 0.721 50 0 DCAARO Cc1cnn(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000072269250 396128364 /nfs/dbraw/zinc/12/83/64/396128364.db2.gz PXMINRDLQLLSMB-CABCVRRESA-N 1 0 306.410 0.639 50 0 DCAARO C[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)C(C)(C)CO ZINC000072290417 396129943 /nfs/dbraw/zinc/12/99/43/396129943.db2.gz BYJNIBKZVBMSJF-LBPRGKRZSA-N 1 0 308.378 0.645 50 0 DCAARO CNC(=O)COc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1OC ZINC000262613018 396162177 /nfs/dbraw/zinc/16/21/77/396162177.db2.gz YOTJHOVSVSAOFT-LLVKDONJSA-N 1 0 321.377 0.254 50 0 DCAARO COc1ccnc(N2CCN(CC[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000075109091 396176136 /nfs/dbraw/zinc/17/61/36/396176136.db2.gz OVNVWDULKOTHAH-CQSZACIVSA-N 1 0 305.426 0.949 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CN(c3cc(C)[nH+]c(N)n3)CCO2)n1 ZINC000075128638 396176326 /nfs/dbraw/zinc/17/63/26/396176326.db2.gz HJILADBQMUYCBZ-LBPRGKRZSA-N 1 0 303.370 0.481 50 0 DCAARO CCn1ccnc1CN1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000075132019 396176869 /nfs/dbraw/zinc/17/68/69/396176869.db2.gz BHZZLOZWTRJPAA-HOTGVXAUSA-N 1 0 321.469 0.740 50 0 DCAARO Cn1cc(C[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)cn1 ZINC000078988329 396259460 /nfs/dbraw/zinc/25/94/60/396259460.db2.gz AMIZPUJHOSIBPB-HIFRSBDPSA-N 1 0 306.410 0.580 50 0 DCAARO O=C(c1ccc(CNC[C@]2(O)CC[NH2+]C2)cc1)N1CCCC1 ZINC000077437525 396221867 /nfs/dbraw/zinc/22/18/67/396221867.db2.gz VAWSQFODCNLDNM-KRWDZBQOSA-N 1 0 303.406 0.737 50 0 DCAARO CCn1c(CN(C)C)nnc1C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000077471668 396223816 /nfs/dbraw/zinc/22/38/16/396223816.db2.gz DJHWUQBGSNWYPL-UHFFFAOYSA-N 1 0 322.457 0.803 50 0 DCAARO CCN1C[C@@H](S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)CC1=O ZINC000630094161 396940519 /nfs/dbraw/zinc/94/05/19/396940519.db2.gz XZODPCGVFBBART-NWDGAFQWSA-N 1 0 303.428 0.044 50 0 DCAARO COc1ccc(OC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000021473929 286346304 /nfs/dbraw/zinc/34/63/04/286346304.db2.gz ITDADNMFWNSILP-ZDUSSCGKSA-N 1 0 308.378 0.632 50 0 DCAARO CCO[C@H]1CN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@@H]1O ZINC000222552208 286451352 /nfs/dbraw/zinc/45/13/52/286451352.db2.gz DYJSUUWNWOHTKJ-HOTGVXAUSA-N 1 0 318.417 0.916 50 0 DCAARO CNC(=O)c1cncc(/C=C\C(=O)N2CCC[C@@H]([NH2+]C)C2)c1 ZINC000255163468 287123238 /nfs/dbraw/zinc/12/32/38/287123238.db2.gz QGQVUEZCRWMZNN-GEXIGZQTSA-N 1 0 302.378 0.665 50 0 DCAARO CC(C)c1nc(N(C)C)nc(N(C)C[C@H](C)c2nn[nH]n2)n1 ZINC000129866664 196082007 /nfs/dbraw/zinc/08/20/07/196082007.db2.gz SDGWNSJKOKUOOX-VIFPVBQESA-N 1 0 305.390 0.814 50 0 DCAARO CCN1CCN(Cc2cc(C(=O)NCC[C@@H](C)O)no2)CC1 ZINC000067886609 415391480 /nfs/dbraw/zinc/39/14/80/415391480.db2.gz UPRBJLAYXDTDLQ-GFCCVEGCSA-N 1 0 310.398 0.313 50 0 DCAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)cc(C)n1 ZINC000091426201 415533971 /nfs/dbraw/zinc/53/39/71/415533971.db2.gz FICWYFUJDUKACX-HZPDHXFCSA-N 1 0 321.421 0.303 50 0 DCAARO OC[C@H]1CN(c2ccc(F)cn2)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000095384279 415556394 /nfs/dbraw/zinc/55/63/94/415556394.db2.gz VYTMZHLBYZVVDP-HUUCEWRRSA-N 1 0 323.412 0.970 50 0 DCAARO CN(C)c1cncc(N2CCC([NH+]3CCC(O)CC3)CC2)n1 ZINC000095379509 415556911 /nfs/dbraw/zinc/55/69/11/415556911.db2.gz HUQHYZQPXXQFPF-UHFFFAOYSA-N 1 0 305.426 0.968 50 0 DCAARO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000095972677 415569653 /nfs/dbraw/zinc/56/96/53/415569653.db2.gz XOYWKVNJIRPTFT-JTQLQIEISA-N 1 0 318.420 0.202 50 0 DCAARO O=C(c1ccoc1)N1CCC2(CC[NH+](CCO)CC2)[C@@H](CO)C1 ZINC000097076320 415582618 /nfs/dbraw/zinc/58/26/18/415582618.db2.gz ORDBZKMYVIDMBV-OAHLLOKOSA-N 1 0 322.405 0.809 50 0 DCAARO O=C(c1cccc(Cn2cccn2)c1)N1CC[NH2+]C[C@H](O)C1 ZINC000097785386 415591261 /nfs/dbraw/zinc/59/12/61/415591261.db2.gz HKIAQZVLJQPMOL-HNNXBMFYSA-N 1 0 300.362 0.338 50 0 DCAARO CS(=O)(=O)CCC(=O)NCCN1CCc2ccccc2C1 ZINC000123427370 415841747 /nfs/dbraw/zinc/84/17/47/415841747.db2.gz QYSDLVVPXDJDQL-UHFFFAOYSA-N 1 0 310.419 0.596 50 0 DCAARO CCc1nnc(CNC(=O)CC[N@H+](C)[C@@H]2CCN(C)C2)s1 ZINC000299762184 416064249 /nfs/dbraw/zinc/06/42/49/416064249.db2.gz LTBJMBRJTLPJRH-LLVKDONJSA-N 1 0 311.455 0.743 50 0 DCAARO Cn1nc(C(F)(F)F)cc1C(=O)N(CCO)CC[NH+](C)C ZINC000299787772 416068736 /nfs/dbraw/zinc/06/87/36/416068736.db2.gz ZBHRQNKNVRVKDP-UHFFFAOYSA-N 1 0 308.304 0.435 50 0 DCAARO COCCN1C[C@@H](C[N@@H+]2CCc3nc[nH]c(=O)c3C2)CC1=O ZINC000299792449 416069601 /nfs/dbraw/zinc/06/96/01/416069601.db2.gz FYVRAFPNICMHLO-LLVKDONJSA-N 1 0 306.366 0.035 50 0 DCAARO CN(CC(=O)OC(C)(C)C)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000191986685 416295495 /nfs/dbraw/zinc/29/54/95/416295495.db2.gz LHOOUIUPGXTBBO-ZDUSSCGKSA-N 1 0 311.426 0.613 50 0 DCAARO C[N@@H+]1CCN2CCN(C(=O)c3cc(Cl)c[nH]c3=O)C[C@H]2C1 ZINC000253531244 416334806 /nfs/dbraw/zinc/33/48/06/416334806.db2.gz JKZMPDAZLMEBEO-LLVKDONJSA-N 1 0 310.785 0.512 50 0 DCAARO Cn1ccn2ncc(C(=O)NCC[N@@H+]3CCC[C@@H](CO)C3)c12 ZINC000215169520 416327016 /nfs/dbraw/zinc/32/70/16/416327016.db2.gz NCHLGHJBVMLZKT-GFCCVEGCSA-N 1 0 305.382 0.107 50 0 DCAARO COc1ccc(C(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)cc1O ZINC000216198232 416327381 /nfs/dbraw/zinc/32/73/81/416327381.db2.gz VKCMBTCPMJFBCG-AWEZNQCLSA-N 1 0 319.405 0.863 50 0 DCAARO O=C(NCc1ccccc1Cn1cccn1)[C@@H]1C[NH2+]CCO1 ZINC000238033302 416329693 /nfs/dbraw/zinc/32/96/93/416329693.db2.gz RTSNBQKJYWLKGF-HNNXBMFYSA-N 1 0 300.362 0.536 50 0 DCAARO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000240900749 416330058 /nfs/dbraw/zinc/33/00/58/416330058.db2.gz ITONUQNWRSYXNG-GDBMZVCRSA-N 1 0 306.410 0.954 50 0 DCAARO Cn1c(CNCCc2nc(C3CC3)no2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244584384 416330428 /nfs/dbraw/zinc/33/04/28/416330428.db2.gz CYHRRLICZSJCFV-PHIMTYICSA-N 1 0 317.397 0.613 50 0 DCAARO Cn1ccnc1SCCNC(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000244594264 416330449 /nfs/dbraw/zinc/33/04/49/416330449.db2.gz DJLLYLPVRXEEAV-GFCCVEGCSA-N 1 0 311.455 0.264 50 0 DCAARO COCCN(C)c1ccc(C[NH2+][C@H](C)CN2CCOCC2)cn1 ZINC000241926413 416330497 /nfs/dbraw/zinc/33/04/97/416330497.db2.gz UGACESBRRJCQRQ-OAHLLOKOSA-N 1 0 322.453 0.975 50 0 DCAARO C[NH+](C)[C@H]1CCN(CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000244787960 416331041 /nfs/dbraw/zinc/33/10/41/416331041.db2.gz QGZCAJKLSPSJEY-LBPRGKRZSA-N 1 0 317.393 0.821 50 0 DCAARO Cc1c[nH]c(C(=O)N2CCN(c3cc(C)[nH+]c(N)n3)CC2)n1 ZINC000584890857 416515963 /nfs/dbraw/zinc/51/59/63/416515963.db2.gz JBUSXBGVUXOGCE-UHFFFAOYSA-N 1 0 301.354 0.361 50 0 DCAARO CC[N@@H+]1CCCN(C(=O)COCCOC)CC12CCOCC2 ZINC000575316406 417526439 /nfs/dbraw/zinc/52/64/39/417526439.db2.gz SWQLOQNNBHCSID-UHFFFAOYSA-N 1 0 314.426 0.753 50 0 DCAARO CCOCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652383598 417896171 /nfs/dbraw/zinc/89/61/71/417896171.db2.gz AMHZHEOIFIZQOB-MCIONIFRSA-N 1 0 320.455 0.714 50 0 DCAARO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)CC1=O ZINC000299749364 229394642 /nfs/dbraw/zinc/39/46/42/229394642.db2.gz KCDJNOOAJDGFQD-BEAPCOKYSA-N 1 0 301.390 0.682 50 0 DCAARO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)n2cccn2)CC1 ZINC000106790470 276381546 /nfs/dbraw/zinc/38/15/46/276381546.db2.gz FLKSVLMKQYOMQB-KKUMJFAQSA-N 1 0 307.442 0.975 50 0 DCAARO CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000408524218 279010367 /nfs/dbraw/zinc/01/03/67/279010367.db2.gz YWGLJAISCRULRR-CQSZACIVSA-N 1 0 321.425 0.431 50 0 DCAARO Cc1[nH+]c2ccccc2c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1C ZINC000097085990 282073039 /nfs/dbraw/zinc/07/30/39/282073039.db2.gz NIFKQTLWBAGLHS-CYBMUJFWSA-N 1 0 324.384 0.999 50 0 DCAARO C[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)C[NH+]1CCCC1 ZINC000048731047 289669099 /nfs/dbraw/zinc/66/90/99/289669099.db2.gz ZNULVOYKFGYHRF-VXGBXAGGSA-N 1 0 303.428 0.205 50 0 DCAARO C[C@H](O)C[N@@H+]1CCN([C@@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1C ZINC000229544367 290115700 /nfs/dbraw/zinc/11/57/00/290115700.db2.gz RDAFNZFGVMKGIS-SLEUVZQESA-N 1 0 309.385 0.739 50 0 DCAARO Cc1cnn(C[C@H](C)[NH2+][C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000229550874 293003602 /nfs/dbraw/zinc/00/36/02/293003602.db2.gz JWLJNFAQGLSRSI-BFHYXJOUSA-N 1 0 321.425 0.282 50 0 DCAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000072278383 295109423 /nfs/dbraw/zinc/10/94/23/295109423.db2.gz RLLGBQQFIKVDSB-ZDUSSCGKSA-N 1 0 318.377 0.342 50 0 DCAARO O=S(=O)(N1CCC[C@@H]1C[NH+]1CCCCC1)N1CCOCC1 ZINC000065624627 304755695 /nfs/dbraw/zinc/75/56/95/304755695.db2.gz BORDQJOQJUMGME-CQSZACIVSA-N 1 0 317.455 0.514 50 0 DCAARO CC(=O)N1CCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)CC1 ZINC000244673574 333587881 /nfs/dbraw/zinc/58/78/81/333587881.db2.gz HRWZETKQNCKDEP-JOCQHMNTSA-N 1 0 318.425 0.482 50 0 DCAARO Cc1c(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)cnc2ccnn21 ZINC000534583272 334289818 /nfs/dbraw/zinc/28/98/18/334289818.db2.gz AYQPKFFDTYFRQM-KBPBESRZSA-N 1 0 315.377 0.631 50 0 DCAARO O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@H]1C=CC[NH2+]1 ZINC000534643440 334306045 /nfs/dbraw/zinc/30/60/45/334306045.db2.gz MPSCUWGFNOCROU-OAHLLOKOSA-N 1 0 310.357 0.555 50 0 DCAARO CCn1cc(C[NH2+][C@H](C)CNS(=O)(=O)C2CC2)c(C)n1 ZINC000534644794 334306756 /nfs/dbraw/zinc/30/67/56/334306756.db2.gz ICKRCEVCKGNPBG-SNVBAGLBSA-N 1 0 300.428 0.771 50 0 DCAARO C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1cccc(-n2ccnc2)c1 ZINC000277422291 533737013 /nfs/dbraw/zinc/73/70/13/533737013.db2.gz FYYLMDRMWBETLQ-TUKIKUTGSA-N 1 0 300.362 0.772 50 0 DCAARO COc1cc(F)c(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1OC ZINC000052093509 533986939 /nfs/dbraw/zinc/98/69/39/533986939.db2.gz IQALPTYLJSQSNY-QMMMGPOBSA-N 1 0 304.343 0.483 50 0 DCAARO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH3+])C2)ccc1F ZINC000158043019 522259210 /nfs/dbraw/zinc/25/92/10/522259210.db2.gz GNTGDQARRIKSEN-JTQLQIEISA-N 1 0 315.370 0.297 50 0 DCAARO CS(=O)(=O)N1CC(C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000189701815 545922055 /nfs/dbraw/zinc/92/20/55/545922055.db2.gz HTHHEBOWTQOKBT-UHFFFAOYSA-N 1 0 321.406 0.453 50 0 DCAARO O=C(Cc1cnccn1)N1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000215995488 545938687 /nfs/dbraw/zinc/93/86/87/545938687.db2.gz FCRWLHKYBJGYLS-CQSZACIVSA-N 1 0 318.421 0.714 50 0 DCAARO CC[N@@H+]1CCC[C@H](CN2CCN(CCn3cncn3)CC2)C1 ZINC000215962318 545939084 /nfs/dbraw/zinc/93/90/84/545939084.db2.gz LKTJWWGRVQGGKW-INIZCTEOSA-N 1 0 306.458 0.628 50 0 DCAARO Cc1c(C(=O)N2CCN(c3cc(C)[nH+]c(N)n3)CC2)ccn1C ZINC000670437036 547089488 /nfs/dbraw/zinc/08/94/88/547089488.db2.gz QHQRQLLWGDEKAJ-UHFFFAOYSA-N 1 0 314.393 0.977 50 0 DCAARO Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CSC(C)(C)C(=O)N1 ZINC000670456487 547097805 /nfs/dbraw/zinc/09/78/05/547097805.db2.gz ZLJFHUULBFLLMR-LBPRGKRZSA-N 1 0 322.434 0.350 50 0 DCAARO O=S(=O)(NCC1(C(F)(F)F)CC[NH2+]CC1)[C@H]1CCOC1 ZINC000725264691 548750168 /nfs/dbraw/zinc/75/01/68/548750168.db2.gz JHOIYAHWEOPVJU-VIFPVBQESA-N 1 0 316.345 0.627 50 0 DCAARO CN(CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1)Cc1cccnc1 ZINC000222313372 563724472 /nfs/dbraw/zinc/72/44/72/563724472.db2.gz OGYWCKBNYHOWGV-HOTGVXAUSA-N 1 0 318.421 0.493 50 0 DCAARO CN(C)c1ccc(NC(=O)C2=NOC3(C2)CC[NH2+]CC3)nc1 ZINC000888096395 661173625 /nfs/dbraw/zinc/17/36/25/661173625.db2.gz FOKSHKYWIRIYFK-UHFFFAOYSA-N 1 0 303.366 0.985 50 0 DCAARO [NH3+]Cc1cn(C[C@H]2CCCN(C(=O)Cc3ccccn3)C2)nn1 ZINC000023153598 658828564 /nfs/dbraw/zinc/82/85/64/658828564.db2.gz CLBHGNMVQGCKKG-ZDUSSCGKSA-N 1 0 314.393 0.613 50 0 DCAARO CN(Cc1ncc[nH]1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000426651177 661690043 /nfs/dbraw/zinc/69/00/43/661690043.db2.gz BTHLQCDVTQEFGM-GFCCVEGCSA-N 1 0 322.413 0.139 50 0 DCAARO C[C@@H](Cn1cncn1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000952983662 665839725 /nfs/dbraw/zinc/83/97/25/665839725.db2.gz UQQBDRDBZHDHHY-ZDUSSCGKSA-N 1 0 307.398 0.237 50 0 DCAARO CC[NH+](CC)CCN1CCN(C(=O)Cc2c(C)[nH][nH]c2=O)CC1 ZINC000299782721 662682755 /nfs/dbraw/zinc/68/27/55/662682755.db2.gz FXNQUGVVELNSGY-UHFFFAOYSA-N 1 0 323.441 0.040 50 0 DCAARO NC(=O)CCn1cc(CN2CCO[C@H](C[NH3+])C2)c2ccccc21 ZINC000067691400 662841304 /nfs/dbraw/zinc/84/13/04/662841304.db2.gz IYWAVKOPRYYLMY-CQSZACIVSA-N 1 0 316.405 0.676 50 0 DCAARO Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000585086250 662948168 /nfs/dbraw/zinc/94/81/68/662948168.db2.gz WVRVEVBGLJGZCT-JQWIXIFHSA-N 1 0 300.428 0.750 50 0 DCAARO CC1=C(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)OCCO1 ZINC000952963730 685597991 /nfs/dbraw/zinc/59/79/91/685597991.db2.gz IGZCSWGPTVGMLK-AWEZNQCLSA-N 1 0 310.394 0.836 50 0 DCAARO Cc1ncc(CO)c(C[NH2+]CCN2CCCC[C@H]2CO)c1O ZINC000952962473 685598164 /nfs/dbraw/zinc/59/81/64/685598164.db2.gz BSRURLXSKIEOLW-AWEZNQCLSA-N 1 0 309.410 0.524 50 0 DCAARO Cc1nc(CNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)sc1C ZINC000952972212 685599776 /nfs/dbraw/zinc/59/97/76/685599776.db2.gz ZWBWNRRNBZCOST-NSHDSACASA-N 1 0 310.423 0.573 50 0 DCAARO CCCn1ccnc1CNC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952989142 685602645 /nfs/dbraw/zinc/60/26/45/685602645.db2.gz VGPHPWNPYXSJEA-GFCCVEGCSA-N 1 0 307.398 0.107 50 0 DCAARO O=C1N[C@H](Cc2ccccc2)C(=O)N2CC[N@H+](CC3CC3)C[C@H]12 ZINC000014743367 685048759 /nfs/dbraw/zinc/04/87/59/685048759.db2.gz NIQDAYVWVPVRKH-HZPDHXFCSA-N 1 0 313.401 0.650 50 0 DCAARO CCn1c(=O)n(CCN2CCCC2=O)nc1[C@@H]1CCC[NH2+]C1 ZINC000067894745 685070349 /nfs/dbraw/zinc/07/03/49/685070349.db2.gz RLGJRXPLLBGNIA-GFCCVEGCSA-N 1 0 307.398 0.154 50 0 DCAARO CC(C)n1cc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000077471854 685081185 /nfs/dbraw/zinc/08/11/85/685081185.db2.gz MAZSWEJUNYUGJK-LBPRGKRZSA-N 1 0 307.398 0.391 50 0 DCAARO CCC(=O)N1C[C@@H](C(=O)NCC[NH+](C)C)C2(C1)CCOCC2 ZINC000169756469 685141264 /nfs/dbraw/zinc/14/12/64/685141264.db2.gz LYQIJPLBNKDHOE-ZDUSSCGKSA-N 1 0 311.426 0.329 50 0 DCAARO O=C([C@H]1Cc2ccccc2C[NH2+]1)N(CCO)Cc1ncc[nH]1 ZINC001772705822 1157843625 /nfs/dbraw/zinc/84/36/25/1157843625.db2.gz RSOGVADRTWWKLO-CQSZACIVSA-N 1 0 300.362 0.445 50 0 DCAARO CN(C)C[C@@]12C[NH2+]C[C@H]1CN(c1ccc(S(C)(=O)=O)cn1)C2 ZINC001772712544 1157848857 /nfs/dbraw/zinc/84/88/57/1157848857.db2.gz RSQFCNBYNBGTMU-SWLSCSKDSA-N 1 0 324.450 0.073 50 0 DCAARO Cc1cc(CC(=O)N[C@]2(C)CCOC3(CC[NH2+]CC3)[C@H]2O)on1 ZINC001704297221 1179965261 /nfs/dbraw/zinc/96/52/61/1179965261.db2.gz PMRJNNSOLPZSAE-LSDHHAIUSA-N 1 0 323.393 0.304 50 0 DCAARO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1n[nH]c3c1CCCC3)C2 ZINC001704313933 1179970004 /nfs/dbraw/zinc/97/00/04/1179970004.db2.gz SQTIOKSNLGEMEN-RYUDHWBXSA-N 1 0 304.394 0.691 50 0 DCAARO Cc1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@H](C1)NC3=O)OCCO2 ZINC001704329721 1179975532 /nfs/dbraw/zinc/97/55/32/1179975532.db2.gz YMBIMAIATURKEP-KGLIPLIRSA-N 1 0 318.373 0.713 50 0 DCAARO CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](O)C2 ZINC000823033102 758218081 /nfs/dbraw/zinc/21/80/81/758218081.db2.gz NGCQOLFESGLXFJ-GFCCVEGCSA-N 1 0 306.410 0.530 50 0 DCAARO C[NH+](C)CC1(O)CCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000823684679 758259801 /nfs/dbraw/zinc/25/98/01/758259801.db2.gz XRLIEIPJEFPRJT-UHFFFAOYSA-N 1 0 304.456 0.895 50 0 DCAARO Cc1cc(C)n(CC[N@@H+](C)CCCS(=O)(=O)N(C)C)n1 ZINC000823704629 758263667 /nfs/dbraw/zinc/26/36/67/758263667.db2.gz UZUHHSHWBCTLAV-UHFFFAOYSA-N 1 0 302.444 0.713 50 0 DCAARO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C(N)=O)cs2)C1 ZINC000823770608 758266256 /nfs/dbraw/zinc/26/62/56/758266256.db2.gz JNUQARUJVZPVMD-VIFPVBQESA-N 1 0 317.436 0.467 50 0 DCAARO COC[C@H]1CCCN1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000824371069 758771958 /nfs/dbraw/zinc/77/19/58/758771958.db2.gz RWPFPPBTWDCSGS-CYBMUJFWSA-N 1 0 305.444 0.370 50 0 DCAARO CC[N@@H+]1CC[C@H](CNS(=O)(=O)N2CCC(COC)CC2)C1 ZINC000824372271 758772143 /nfs/dbraw/zinc/77/21/43/758772143.db2.gz SSJUFARPLRBQBJ-CQSZACIVSA-N 1 0 319.471 0.521 50 0 DCAARO COCCn1cncc1CNCc1nnc([C@H]2C[C@H]([NH3+])C2)n1C ZINC000824466094 758774883 /nfs/dbraw/zinc/77/48/83/758774883.db2.gz GLZZWLNFRDADCQ-HAQNSBGRSA-N 1 0 319.413 0.153 50 0 DCAARO Cc1c[nH]cc1C(=O)NCC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000585087856 766275293 /nfs/dbraw/zinc/27/52/93/766275293.db2.gz XPCQDWMBRJTQJA-UHFFFAOYSA-N 1 0 306.410 0.853 50 0 DCAARO NC(=O)[C@H]1C[NH+](Cc2csc3ccccc23)C[C@@H]1C(N)=O ZINC000585116720 766285103 /nfs/dbraw/zinc/28/51/03/766285103.db2.gz GVQQQQANUCVYFC-RYUDHWBXSA-N 1 0 303.387 0.920 50 0 DCAARO O=C(NC[C@@H]1CCC[N@H+](CCn2cnnc2)C1)c1cnccn1 ZINC000952868261 768923908 /nfs/dbraw/zinc/92/39/08/768923908.db2.gz HQJHFCDLYQBYNU-ZDUSSCGKSA-N 1 0 315.381 0.210 50 0 DCAARO CC(C)(CN(CCO)[C@H]1CCS(=O)(=O)C1)C[NH+]1CCCC1 ZINC000952869902 768926510 /nfs/dbraw/zinc/92/65/10/768926510.db2.gz OWDJWUWVRUSYPO-AWEZNQCLSA-N 1 0 318.483 0.590 50 0 DCAARO CNC(=O)c1cccnc1NCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001529138914 1014502375 /nfs/dbraw/zinc/50/23/75/1014502375.db2.gz KJOJCKBKQDUEBQ-LLVKDONJSA-N 1 0 305.382 0.050 50 0 DCAARO O=C(CCCN1CCCCC1=O)N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001506400913 1017256173 /nfs/dbraw/zinc/25/61/73/1017256173.db2.gz LOPQVYBUBMIADM-CQSZACIVSA-N 1 0 323.437 0.806 50 0 DCAARO Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCC[NH+](C)C)C2)n1 ZINC000095473698 185373041 /nfs/dbraw/zinc/37/30/41/185373041.db2.gz VENRUZWPJVCZRT-CQSZACIVSA-N 1 0 305.426 0.988 50 0 DCAARO CC(C)[NH+]1CCC(CC(=O)NCCc2nc(N)cc(=O)[nH]2)CC1 ZINC000095392794 185351909 /nfs/dbraw/zinc/35/19/09/185351909.db2.gz FOOWYTOZUOVAKF-UHFFFAOYSA-N 1 0 321.425 0.521 50 0 DCAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000178991206 290699526 /nfs/dbraw/zinc/69/95/26/290699526.db2.gz QMNFYGGUXABROY-NEPJUHHUSA-N 1 0 322.409 0.307 50 0 DCAARO CNC(=O)COc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1OC ZINC000262012906 529864869 /nfs/dbraw/zinc/86/48/69/529864869.db2.gz JWLNGYDGQOIFJR-NSHDSACASA-N 1 0 321.377 0.254 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000328596376 530027125 /nfs/dbraw/zinc/02/71/25/530027125.db2.gz LDECDEMSOLUYNY-WXJAXGNASA-N 1 0 323.418 0.415 50 0 DCAARO Cc1noc(C)c1C[NH+]1CCC2(CC1)N=C(N(C)C)NC2=O ZINC000216060648 282383761 /nfs/dbraw/zinc/38/37/61/282383761.db2.gz ROIWOXWCCUBOLD-UHFFFAOYSA-N 1 0 305.382 0.673 50 0 DCAARO COc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](OC)C2)c(OC)c1OC ZINC000071388714 190965356 /nfs/dbraw/zinc/96/53/56/190965356.db2.gz BTJBTVXKPKVKSW-YPMHNXCESA-N 1 0 324.377 0.901 50 0 DCAARO CC[NH+]1CCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)CC1 ZINC000071738520 191019595 /nfs/dbraw/zinc/01/95/95/191019595.db2.gz TYBJLQCFTVYOMM-UHFFFAOYSA-N 1 0 315.421 0.913 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)NCc1csc(N2CCCC2)n1 ZINC000072134760 191046239 /nfs/dbraw/zinc/04/62/39/191046239.db2.gz CTDKRKRSMFZGAZ-LLVKDONJSA-N 1 0 310.423 0.738 50 0 DCAARO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCCC[C@H]3C(N)=O)C2=O)n(C)n1 ZINC000253370432 186301465 /nfs/dbraw/zinc/30/14/65/186301465.db2.gz QVSQZTHOTZUHHM-AGIUHOORSA-N 1 0 319.409 0.468 50 0 DCAARO c1cn(C[C@@H]2COCCO2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072426102 191160289 /nfs/dbraw/zinc/16/02/89/191160289.db2.gz FMJNFYTYUZVAKK-CYBMUJFWSA-N 1 0 303.366 0.655 50 0 DCAARO Cc1ncc2c(c1CNC(=O)Cn1cc(N)cn1)CC[NH2+]C2 ZINC000072430167 191163492 /nfs/dbraw/zinc/16/34/92/191163492.db2.gz FAHWEOOSXMEPBN-UHFFFAOYSA-N 1 0 300.366 0.131 50 0 DCAARO C[C@@H](C1CCN(C(=O)c2ccc[nH]c2=O)CC1)[NH+]1CCOCC1 ZINC000072453601 191171254 /nfs/dbraw/zinc/17/12/54/191171254.db2.gz VPZJIPIZPGHASU-ZDUSSCGKSA-N 1 0 319.405 0.948 50 0 DCAARO Cn1c(=O)c(SC(N)=[NH2+])c(N)n(Cc2ccccc2)c1=O ZINC000004452716 181109862 /nfs/dbraw/zinc/10/98/62/181109862.db2.gz ZJGFSRVHQLAXKP-UHFFFAOYSA-N 1 0 305.363 0.163 50 0 DCAARO COc1ccc([C@H](C)NC(=O)c2cn(CC[NH3+])nn2)cc1F ZINC000077422268 191712577 /nfs/dbraw/zinc/71/25/77/191712577.db2.gz ONWCIUQJIRSEAX-VIFPVBQESA-N 1 0 307.329 0.876 50 0 DCAARO COc1ccc(OCC(=O)N2CCOC[C@@H]2C[NH+](C)C)cc1 ZINC000085469954 192510962 /nfs/dbraw/zinc/51/09/62/192510962.db2.gz CPOROEXISLRIRD-ZDUSSCGKSA-N 1 0 308.378 0.863 50 0 DCAARO O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)Nc1cccnc1 ZINC000085436870 192505264 /nfs/dbraw/zinc/50/52/64/192505264.db2.gz ZMZVOVMYSCJSJJ-OAHLLOKOSA-N 1 0 304.394 0.409 50 0 DCAARO CCC[C@@H]([NH3+])C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000236916622 202070835 /nfs/dbraw/zinc/07/08/35/202070835.db2.gz VKYBDDONJYZLKR-CQSZACIVSA-N 1 0 310.442 0.271 50 0 DCAARO CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000236954441 202091451 /nfs/dbraw/zinc/09/14/51/202091451.db2.gz RETJPKJVOFGKHD-UONOGXRCSA-N 1 0 319.405 0.457 50 0 DCAARO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237746734 202345560 /nfs/dbraw/zinc/34/55/60/202345560.db2.gz HBLZYNUPIIVKQN-VIFPVBQESA-N 1 0 306.819 0.802 50 0 DCAARO C[C@@H](c1nnnn1C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182647 200361329 /nfs/dbraw/zinc/36/13/29/200361329.db2.gz HRDWNOMYHNAKFF-ZDUSSCGKSA-N 1 0 318.429 0.564 50 0 DCAARO COc1ccc(C(=O)CCC(=O)NC[C@]2(O)CC[NH2+]C2)cc1 ZINC000244741829 202494526 /nfs/dbraw/zinc/49/45/26/202494526.db2.gz NXPGTYSXJICHEZ-INIZCTEOSA-N 1 0 306.362 0.499 50 0 DCAARO CCc1nccn1CCC(=O)N1C[C@@H](CO)C[C@H](C[NH+](C)C)C1 ZINC000091547031 193071788 /nfs/dbraw/zinc/07/17/88/193071788.db2.gz VUCPBMZPMOWCOK-CABCVRRESA-N 1 0 322.453 0.854 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cccc(C)n2)C[C@@H]1CO ZINC000091493755 193063943 /nfs/dbraw/zinc/06/39/43/193063943.db2.gz CYHZGFNOGVPRLF-HUUCEWRRSA-N 1 0 321.421 0.649 50 0 DCAARO COc1ccc(OCC(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000020727760 182244292 /nfs/dbraw/zinc/24/42/92/182244292.db2.gz BZBXXMOZQYJTRD-UHFFFAOYSA-N 1 0 321.421 0.828 50 0 DCAARO O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000040834016 183140442 /nfs/dbraw/zinc/14/04/42/183140442.db2.gz BWQZDPCKHIRQEQ-ONGXEEELSA-N 1 0 304.268 0.924 50 0 DCAARO Cc1nn(C)c(N(C)C)c1C[NH2+]CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000058392157 184111050 /nfs/dbraw/zinc/11/10/50/184111050.db2.gz XDKANALBYMWFRP-BETUJISGSA-N 1 0 309.458 0.993 50 0 DCAARO Cn1c(=O)cc(C[NH+]2CCC(c3cc[nH]n3)CC2)n(C)c1=O ZINC000058251517 184095625 /nfs/dbraw/zinc/09/56/25/184095625.db2.gz PBHSOJUZLXANQJ-UHFFFAOYSA-N 1 0 303.366 0.187 50 0 DCAARO CC(C)[C@@H](Cn1ccnc1)NC(=O)CN1CCC[N@H+](C)CC1 ZINC000065372440 184329701 /nfs/dbraw/zinc/32/97/01/184329701.db2.gz HXYXMUFPPFKAAE-OAHLLOKOSA-N 1 0 307.442 0.661 50 0 DCAARO CCN(CC)C(=O)Cn1nc(CC2CC[NH2+]CC2)n(CC)c1=O ZINC000065433100 184344114 /nfs/dbraw/zinc/34/41/14/184344114.db2.gz XVQAFUGBBLNKMR-UHFFFAOYSA-N 1 0 323.441 0.475 50 0 DCAARO CN1CCO[C@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000065611158 184373202 /nfs/dbraw/zinc/37/32/02/184373202.db2.gz LWGFWDQXUTVTDT-CYBMUJFWSA-N 1 0 305.357 0.827 50 0 DCAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCCN(C(=O)c2ccco2)CC1 ZINC000216516592 257273191 /nfs/dbraw/zinc/27/31/91/257273191.db2.gz QTUAWHGLKGCGJI-CYBMUJFWSA-N 1 0 321.377 0.333 50 0 DCAARO Cc1nc2c(c(=O)[nH]1)CN(C(=O)CC[C@@H](C)[NH+]1CCOCC1)C2 ZINC000426728250 257243472 /nfs/dbraw/zinc/24/34/72/257243472.db2.gz IXZGSYQFZJEQCE-LLVKDONJSA-N 1 0 320.393 0.834 50 0 DCAARO CCn1c(C)ccc(C(=O)NC[C@H]2COCC[N@H+](C)C2)c1=O ZINC000426621746 257244854 /nfs/dbraw/zinc/24/48/54/257244854.db2.gz PVCVMCBZUHYRBE-CYBMUJFWSA-N 1 0 307.394 0.485 50 0 DCAARO O=C(c1ccnn1CCO)N1CCC([NH+]2CCSCC2)CC1 ZINC000426544699 257246787 /nfs/dbraw/zinc/24/67/87/257246787.db2.gz HUNKONAROSRFQA-UHFFFAOYSA-N 1 0 324.450 0.529 50 0 DCAARO Cc1nncn1CCSc1nnc([C@H]2CCC[NH2+]C2)n1C ZINC000426487583 257249104 /nfs/dbraw/zinc/24/91/04/257249104.db2.gz SSYXRZDSMLDPRA-NSHDSACASA-N 1 0 307.427 0.974 50 0 DCAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCCn1ccnc1 ZINC000426465128 257250159 /nfs/dbraw/zinc/25/01/59/257250159.db2.gz HYVSMCXFWDDARH-ZDUSSCGKSA-N 1 0 302.382 0.363 50 0 DCAARO COc1ccc(C(=O)NCCc2noc(C)n2)c(OCC[NH3+])c1 ZINC000426420378 257250730 /nfs/dbraw/zinc/25/07/30/257250730.db2.gz REMWEZUBUFDAHP-UHFFFAOYSA-N 1 0 320.349 0.697 50 0 DCAARO [NH3+]CCOc1ccc(F)cc1C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000426419940 257251225 /nfs/dbraw/zinc/25/12/25/257251225.db2.gz HNXPWGWVEBAWDR-NSHDSACASA-N 1 0 323.324 0.440 50 0 DCAARO COc1ccnc(C(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000426408919 257251538 /nfs/dbraw/zinc/25/15/38/257251538.db2.gz JDGXFPDAADFQOL-UHFFFAOYSA-N 1 0 318.421 0.848 50 0 DCAARO C[NH+](C)CCNC(=O)C(=O)Nc1c2ccccc2oc1C(N)=O ZINC000010254186 395685907 /nfs/dbraw/zinc/68/59/07/395685907.db2.gz GXVGOTKUBLKKHE-UHFFFAOYSA-N 1 0 318.333 0.148 50 0 DCAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000011815741 395686783 /nfs/dbraw/zinc/68/67/83/395686783.db2.gz QBGZMHVIYXYAKM-OAHLLOKOSA-N 1 0 314.393 0.796 50 0 DCAARO CC(=O)N1CCc2cc(S(=O)(=O)NCC[NH+](C)C)ccc21 ZINC000012141044 395687074 /nfs/dbraw/zinc/68/70/74/395687074.db2.gz FCYZEEIGJKFTDK-UHFFFAOYSA-N 1 0 311.407 0.436 50 0 DCAARO CC[NH+]1CCN(Cc2nc(N)nc(N3CCCCC3)n2)CC1 ZINC000019944388 395691152 /nfs/dbraw/zinc/69/11/52/395691152.db2.gz MIQIJNZCXJWRNM-UHFFFAOYSA-N 1 0 305.430 0.582 50 0 DCAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N2CCOCC2)CC1 ZINC000000109525 395679859 /nfs/dbraw/zinc/67/98/59/395679859.db2.gz KPCMNOVJNLZPMD-UHFFFAOYSA-N 1 0 324.425 0.244 50 0 DCAARO NC(=O)C1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000000254892 395680058 /nfs/dbraw/zinc/68/00/58/395680058.db2.gz GHAXNVNFLFCXEG-UHFFFAOYSA-N 1 0 319.361 0.941 50 0 DCAARO CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@@H](O)[C@@H]12)C(C)C ZINC000000899259 395680730 /nfs/dbraw/zinc/68/07/30/395680730.db2.gz LMFKRLGHEKVMNT-MEWXFMAXSA-N 1 0 313.394 0.327 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)Cn2cccn2)C1 ZINC000089840197 395715786 /nfs/dbraw/zinc/71/57/86/395715786.db2.gz MITDBDPRNMGZKN-LSDHHAIUSA-N 1 0 323.441 0.928 50 0 DCAARO CCN1C(=O)N[C@@](C)([C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)C1=O ZINC000095402597 395740282 /nfs/dbraw/zinc/74/02/82/395740282.db2.gz JYWZEECPYZPRSG-ZBEGNZNMSA-N 1 0 322.409 0.307 50 0 DCAARO CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC000097234813 395756468 /nfs/dbraw/zinc/75/64/68/395756468.db2.gz QODBGVYINWGIER-CQSZACIVSA-N 1 0 304.394 0.884 50 0 DCAARO CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000097234907 395756495 /nfs/dbraw/zinc/75/64/95/395756495.db2.gz KRQYMDSOGATJHW-SNVBAGLBSA-N 1 0 300.428 0.575 50 0 DCAARO CCOCCOc1ccccc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000097436953 395757707 /nfs/dbraw/zinc/75/77/07/395757707.db2.gz LTMABWJZKDAULT-TZMCWYRMSA-N 1 0 323.393 0.946 50 0 DCAARO CCOCC[N@@H+]1CCN(Cc2cc(C3CC3)n[nH]2)C[C@H](O)C1 ZINC000097619558 395759349 /nfs/dbraw/zinc/75/93/49/395759349.db2.gz FBBPLNOZNUXCSV-OAHLLOKOSA-N 1 0 308.426 0.802 50 0 DCAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccncc1Br ZINC000195554075 395831487 /nfs/dbraw/zinc/83/14/87/395831487.db2.gz LMJHZJJYXXFVSY-UWVGGRQHSA-N 1 0 300.156 0.561 50 0 DCAARO CCn1nccc1C(=O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000214954050 395836861 /nfs/dbraw/zinc/83/68/61/395836861.db2.gz WJBSAJKQSRDZFY-MRXNPFEDSA-N 1 0 317.437 0.755 50 0 DCAARO CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000236947709 395900143 /nfs/dbraw/zinc/90/01/43/395900143.db2.gz KNNVKCPKYQHZJY-VXGBXAGGSA-N 1 0 305.444 0.244 50 0 DCAARO COCCn1cncc1CNc1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244874720 395925829 /nfs/dbraw/zinc/92/58/29/395925829.db2.gz XGCZQKBAXJFTOT-PHIMTYICSA-N 1 0 317.397 0.719 50 0 DCAARO CNC(=O)CC[N@H+](C)Cc1cnc(NC[C@@H]2CCCO2)nc1 ZINC000244866339 395926239 /nfs/dbraw/zinc/92/62/39/395926239.db2.gz VUHSTLUZIGAMPL-ZDUSSCGKSA-N 1 0 307.398 0.635 50 0 DCAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2C[C@@H](O)CN2CCOCC2)c1 ZINC000229515705 395874468 /nfs/dbraw/zinc/87/44/68/395874468.db2.gz WIKZCLBNBZWWCH-HOTGVXAUSA-N 1 0 308.426 0.349 50 0 DCAARO COC(=O)[C@H](C)C[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1 ZINC000058393074 395953278 /nfs/dbraw/zinc/95/32/78/395953278.db2.gz MFAUUIAXXWTURW-GFCCVEGCSA-N 1 0 321.377 0.883 50 0 DCAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cn(C)c(C)n1 ZINC000246831710 395958818 /nfs/dbraw/zinc/95/88/18/395958818.db2.gz CXUCGLVXHWXCAB-STQMWFEESA-N 1 0 312.439 0.976 50 0 DCAARO C[NH+](C)[C@@H]1CCN(CC(=O)NCc2cnc3c(c2)CCC3)C1 ZINC000252502576 396022000 /nfs/dbraw/zinc/02/20/00/396022000.db2.gz UQZYIMYVQFNMMY-OAHLLOKOSA-N 1 0 302.422 0.822 50 0 DCAARO O=C1CCCN1C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C1CCCCC1 ZINC000252516555 396022371 /nfs/dbraw/zinc/02/23/71/396022371.db2.gz UDGQOHDUCLNXRM-PMPSAXMXSA-N 1 0 310.438 0.985 50 0 DCAARO C[C@@H]([NH3+])C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1 ZINC000067490442 396026801 /nfs/dbraw/zinc/02/68/01/396026801.db2.gz QFIDEUOJLYVKGG-LLVKDONJSA-N 1 0 313.361 0.825 50 0 DCAARO O=C(N[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1CO)c1cccnc1 ZINC000253405543 396027008 /nfs/dbraw/zinc/02/70/08/396027008.db2.gz IIVZQZHPYMRCAP-DZGCQCFKSA-N 1 0 305.378 0.283 50 0 DCAARO CCn1c(=O)n(CCn2ccc(C)n2)nc1[C@H]1CCC[NH2+]C1 ZINC000067673859 396030599 /nfs/dbraw/zinc/03/05/99/396030599.db2.gz ZYSXEEFPVNCTOY-ZDUSSCGKSA-N 1 0 304.398 0.737 50 0 DCAARO COc1ccc2[nH]c(=O)c(CN3CCO[C@H](C[NH3+])C3)cc2c1 ZINC000067742140 396032634 /nfs/dbraw/zinc/03/26/34/396032634.db2.gz NKEPVMQCKBGFHR-CQSZACIVSA-N 1 0 303.362 0.696 50 0 DCAARO Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000257190651 396035005 /nfs/dbraw/zinc/03/50/05/396035005.db2.gz NFDBZJBDMDSNNE-JKSUJKDBSA-N 1 0 314.389 0.643 50 0 DCAARO CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000154257039 396035040 /nfs/dbraw/zinc/03/50/40/396035040.db2.gz PIBDXYHHFGSPKM-AHWSKYQCSA-N 1 0 302.378 0.663 50 0 DCAARO Cn1cc(CN2C[C@@H](CO)[C@H](NC(=O)c3ccccc3)C2)cn1 ZINC000257196279 396035964 /nfs/dbraw/zinc/03/59/64/396035964.db2.gz XYBREAPWTCNLQD-JKSUJKDBSA-N 1 0 314.389 0.643 50 0 DCAARO O=C(NC[C@@H]1CC[N@@H+](C2CCOCC2)C1)c1c[nH]c(=O)cn1 ZINC000067908574 396038478 /nfs/dbraw/zinc/03/84/78/396038478.db2.gz KECIMPAYUFOUSU-NSHDSACASA-N 1 0 306.366 0.001 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CCO1 ZINC000257365524 396047156 /nfs/dbraw/zinc/04/71/56/396047156.db2.gz IXTNHTYQMNMXCV-UPJWGTAASA-N 1 0 303.428 0.120 50 0 DCAARO O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000261597059 396048174 /nfs/dbraw/zinc/04/81/74/396048174.db2.gz AMCTWTCRFIZUKW-TZMCWYRMSA-N 1 0 308.403 0.424 50 0 DCAARO COc1cccc(C[N@H+](C)[C@@H]2CCc3nn(C)c(=O)n3CC2)n1 ZINC000169783374 396091659 /nfs/dbraw/zinc/09/16/59/396091659.db2.gz TYRKJQNORLEYCS-CYBMUJFWSA-N 1 0 317.393 0.822 50 0 DCAARO C[NH+](C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)c1cnco1 ZINC000169791109 396093518 /nfs/dbraw/zinc/09/35/18/396093518.db2.gz YSLVIFDBLSESFH-VXGBXAGGSA-N 1 0 316.365 0.261 50 0 DCAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CCCS(N)(=O)=O)n1 ZINC000069947504 396095397 /nfs/dbraw/zinc/09/53/97/396095397.db2.gz OBZSNTJYBDBURI-CYBMUJFWSA-N 1 0 300.428 0.643 50 0 DCAARO O[C@@H](C[NH2+][C@@H]1CCc2ncnn2C1)COCc1cccs1 ZINC000069928604 396095763 /nfs/dbraw/zinc/09/57/63/396095763.db2.gz BRSIPGVYOBQUHV-NEPJUHHUSA-N 1 0 308.407 0.822 50 0 DCAARO O[C@H](CN1CCOCC1)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069950190 396095997 /nfs/dbraw/zinc/09/59/97/396095997.db2.gz VKGPXTOMZOFCAG-HZPDHXFCSA-N 1 0 308.426 0.431 50 0 DCAARO C[NH+](C)C[C@H]1CN(CC(=O)NCCCc2ccccc2)CCO1 ZINC000070016600 396098103 /nfs/dbraw/zinc/09/81/03/396098103.db2.gz UPHZUAMSVJJPSZ-KRWDZBQOSA-N 1 0 319.449 0.998 50 0 DCAARO Cc1cnn(C[C@H]2CCC[N@@H+]2CC(=O)NC2CCOCC2)c1 ZINC000070039914 396098976 /nfs/dbraw/zinc/09/89/76/396098976.db2.gz WUTOIIVVISYZNM-OAHLLOKOSA-N 1 0 306.410 0.951 50 0 DCAARO CO[C@H]1CN(C(=O)c2ccc(-c3nnn(C)n3)cc2)CC[C@H]1[NH3+] ZINC000071416368 396113667 /nfs/dbraw/zinc/11/36/67/396113667.db2.gz JQUXBFAKGSZOCI-OLZOCXBDSA-N 1 0 316.365 0.065 50 0 DCAARO CN1CC[NH+]([C@@H]2CCN(c3ncnc4c3CCC4)C[C@H]2O)CC1 ZINC000071762232 396114155 /nfs/dbraw/zinc/11/41/55/396114155.db2.gz LPOWAQVMTRCSSR-HZPDHXFCSA-N 1 0 317.437 0.152 50 0 DCAARO C[C@@H]1C[N@@H+](C[C@H](O)Cn2nnc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000071832850 396117843 /nfs/dbraw/zinc/11/78/43/396117843.db2.gz JRIHOWNHUAKGFU-GUTXKFCHSA-N 1 0 317.393 0.810 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]CC(=O)Nc1nccs1)CC2 ZINC000071871771 396120803 /nfs/dbraw/zinc/12/08/03/396120803.db2.gz WRHZOFSPWLZZKH-SECBINFHSA-N 1 0 306.395 0.840 50 0 DCAARO C[C@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000071877158 396121716 /nfs/dbraw/zinc/12/17/16/396121716.db2.gz ZVPQBHUFLXQWOG-XHDPSFHLSA-N 1 0 300.349 0.997 50 0 DCAARO Cc1ccc(CN(C)C(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)o1 ZINC000071877540 396121845 /nfs/dbraw/zinc/12/18/45/396121845.db2.gz ZGCXNPHCLQVQAT-ZIAGYGMSSA-N 1 0 323.437 0.933 50 0 DCAARO NC(=O)c1cnn2c1NC[C@@H](C[NH2+]CCc1cccs1)C2 ZINC000071888668 396123885 /nfs/dbraw/zinc/12/38/85/396123885.db2.gz MATYSCISGGXYRB-SNVBAGLBSA-N 1 0 305.407 0.918 50 0 DCAARO NC(=O)c1cnc(N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000071922363 396125144 /nfs/dbraw/zinc/12/51/44/396125144.db2.gz MNMNEPSEBHAWAO-VXGBXAGGSA-N 1 0 310.785 0.479 50 0 DCAARO Cc1cc(C)n2cc(CN3CC[NH+](C[C@@H](C)O)CC3)nc2n1 ZINC000072267383 396128170 /nfs/dbraw/zinc/12/81/70/396128170.db2.gz OGWWRERKTWKSMO-CQSZACIVSA-N 1 0 303.410 0.845 50 0 DCAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000072254070 396128249 /nfs/dbraw/zinc/12/82/49/396128249.db2.gz NDUGJWXFBFAQOW-RDBSUJKOSA-N 1 0 310.398 0.047 50 0 DCAARO Cc1cc(N(C)C)nc(N2CCc3nn(C)c(=O)cc3C2)[nH+]1 ZINC000072302211 396130758 /nfs/dbraw/zinc/13/07/58/396130758.db2.gz RBUFYWBUWOIMEU-UHFFFAOYSA-N 1 0 300.366 0.507 50 0 DCAARO Cc1nn(C)c(C)c1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000069326843 396074653 /nfs/dbraw/zinc/07/46/53/396074653.db2.gz RLVAGWCEZYFVIX-UHFFFAOYSA-N 1 0 300.428 0.753 50 0 DCAARO CC(C)NC(=O)[C@H](C)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000069417362 396078223 /nfs/dbraw/zinc/07/82/23/396078223.db2.gz QNLLHIIKUFWORC-AWEZNQCLSA-N 1 0 310.442 0.140 50 0 DCAARO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccccn1 ZINC000069444374 396078957 /nfs/dbraw/zinc/07/89/57/396078957.db2.gz UJQWQYNUPYKWSC-AWEZNQCLSA-N 1 0 304.394 0.754 50 0 DCAARO CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000069529611 396081796 /nfs/dbraw/zinc/08/17/96/396081796.db2.gz YEWHTPBVFSJYFV-OAHLLOKOSA-N 1 0 324.469 0.483 50 0 DCAARO CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000074567391 396168746 /nfs/dbraw/zinc/16/87/46/396168746.db2.gz DFNACROJMABOIN-JTQLQIEISA-N 1 0 324.347 0.743 50 0 DCAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)N2CCO[C@H](C)C2)C1 ZINC000076058692 396194960 /nfs/dbraw/zinc/19/49/60/396194960.db2.gz MHGQOIFSDNGCKT-UPJWGTAASA-N 1 0 305.444 0.270 50 0 DCAARO CCc1noc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)n1 ZINC000076057179 396195042 /nfs/dbraw/zinc/19/50/42/396195042.db2.gz DMSIATKIKNVOSM-DCAQKATOSA-N 1 0 316.427 0.953 50 0 DCAARO Cn1cc(CC[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)cn1 ZINC000076058826 396195069 /nfs/dbraw/zinc/19/50/69/396195069.db2.gz BCHCLJQDSGPWNI-XJKSGUPXSA-N 1 0 319.409 0.615 50 0 DCAARO Cn1c(CN2CCOCC2)nnc1C1CC[NH+](CCCO)CC1 ZINC000077318851 396218897 /nfs/dbraw/zinc/21/88/97/396218897.db2.gz MYVMBEFEHMXVSP-UHFFFAOYSA-N 1 0 323.441 0.209 50 0 DCAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1C[C@H]1Cc2ccccc2O1 ZINC000077408232 396221384 /nfs/dbraw/zinc/22/13/84/396221384.db2.gz ATXWBHBBNRYTOH-GFCCVEGCSA-N 1 0 301.346 0.664 50 0 DCAARO [NH3+]CCn1cc(C(=O)NCc2cccc(OC(F)F)c2)nn1 ZINC000077470911 396223407 /nfs/dbraw/zinc/22/34/07/396223407.db2.gz VWKWHBNNMRQXTB-UHFFFAOYSA-N 1 0 311.292 0.768 50 0 DCAARO COc1ccnc(N2CCOC[C@](O)(C[NH+]3CCCC3)C2)n1 ZINC000077503794 396225077 /nfs/dbraw/zinc/22/50/77/396225077.db2.gz IHBLFLIKMGOKDD-HNNXBMFYSA-N 1 0 308.382 0.149 50 0 DCAARO Cn1cc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000077672103 396228697 /nfs/dbraw/zinc/22/86/97/396228697.db2.gz NWLDEXCIRCJXKG-CYBMUJFWSA-N 1 0 307.398 0.996 50 0 DCAARO CC[C@H](C)[N@H+](C)CCNc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000290628432 396468355 /nfs/dbraw/zinc/46/83/55/396468355.db2.gz MIDUHCYIDHTOSZ-ZDUSSCGKSA-N 1 0 320.441 0.897 50 0 DCAARO CC(C)C[N@@H+]1CCN(C(=O)CCc2cn[nH]c2)C[C@H]1CCO ZINC000584885479 396632353 /nfs/dbraw/zinc/63/23/53/396632353.db2.gz IWYBSLJVNPYFIG-OAHLLOKOSA-N 1 0 308.426 0.894 50 0 DCAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2C)CC1 ZINC000299754173 396713820 /nfs/dbraw/zinc/71/38/20/396713820.db2.gz KIIALSPDIRDJSJ-DJIMGWMZSA-N 1 0 309.454 0.897 50 0 DCAARO COc1ccc([C@@H](CC(=O)N2CC[C@@H]([NH3+])C2)NC(C)=O)cc1 ZINC000132352621 196248520 /nfs/dbraw/zinc/24/85/20/196248520.db2.gz GULLDJKSESIWHU-UKRRQHHQSA-N 1 0 305.378 0.822 50 0 DCAARO [NH3+][C@@H]1CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 ZINC000132318504 196245271 /nfs/dbraw/zinc/24/52/71/196245271.db2.gz ALFQCLLXZKSBOT-DOMZBBRYSA-N 1 0 307.369 0.759 50 0 DCAARO [NH3+][C@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 ZINC000132680863 196275719 /nfs/dbraw/zinc/27/57/19/196275719.db2.gz GGKDGPARIVMULH-ONGXEEELSA-N 1 0 309.316 0.877 50 0 DCAARO COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000007448528 415141456 /nfs/dbraw/zinc/14/14/56/415141456.db2.gz VPTAAHYHWJNCFX-AWEZNQCLSA-N 1 0 319.405 0.551 50 0 DCAARO C[NH+](C)CCn1ccc(NC(=O)c2noc3c2CCCC3)n1 ZINC000331715321 415192736 /nfs/dbraw/zinc/19/27/36/415192736.db2.gz HMULBZUKHXCFOA-UHFFFAOYSA-N 1 0 303.366 1.564 50 0 DCAARO Cn1c(=O)cc(C[NH2+]CCCOc2ccccc2F)n(C)c1=O ZINC000048343077 415291615 /nfs/dbraw/zinc/29/16/15/415291615.db2.gz WWVJRMJWGYTLEJ-UHFFFAOYSA-N 1 0 321.352 0.782 50 0 DCAARO Cc1noc([C@@H]2CCC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000071822592 415409493 /nfs/dbraw/zinc/40/94/93/415409493.db2.gz XUDKLYMGJIKPKU-LLVKDONJSA-N 1 0 321.381 0.888 50 0 DCAARO COCCN1CCC[C@](O)(C[NH2+]Cc2cc(C)nc(C)c2)C1=O ZINC000067676559 415378198 /nfs/dbraw/zinc/37/81/98/415378198.db2.gz KRIOFVGIOCCTPF-KRWDZBQOSA-N 1 0 321.421 0.788 50 0 DCAARO C[N@@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000067676641 415381282 /nfs/dbraw/zinc/38/12/82/415381282.db2.gz WKJIKECYMIHBOA-JTQLQIEISA-N 1 0 317.436 0.094 50 0 DCAARO CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC000067789199 415386072 /nfs/dbraw/zinc/38/60/72/415386072.db2.gz GYOASTMWIHSJMQ-HIFRSBDPSA-N 1 0 317.368 0.659 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000075133590 415438570 /nfs/dbraw/zinc/43/85/70/415438570.db2.gz RTCBBWZMXBCWDX-STQMWFEESA-N 1 0 308.382 0.014 50 0 DCAARO CN1CCN(c2ncc(C[NH2+]C3CCC(O)CC3)cn2)CC1 ZINC000075110078 415438588 /nfs/dbraw/zinc/43/85/88/415438588.db2.gz LLYQQTYFMXHQBO-UHFFFAOYSA-N 1 0 305.426 0.622 50 0 DCAARO CCn1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CC)C2)cc1=O ZINC000091254689 415536141 /nfs/dbraw/zinc/53/61/41/415536141.db2.gz YFEGPZVYDRXPMH-HUUCEWRRSA-N 1 0 321.421 0.500 50 0 DCAARO CCc1ncc(C(=O)N2CC[N@H+](CC3CC3)[C@H](CCO)C2)cn1 ZINC000095357034 415553344 /nfs/dbraw/zinc/55/33/44/415553344.db2.gz IMNUQDVHPSSRSY-OAHLLOKOSA-N 1 0 318.421 0.958 50 0 DCAARO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000095415672 415559144 /nfs/dbraw/zinc/55/91/44/415559144.db2.gz KBPVYNSNRQIZOA-ZDUSSCGKSA-N 1 0 316.467 1.000 50 0 DCAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)N1 ZINC000107580500 415666064 /nfs/dbraw/zinc/66/60/64/415666064.db2.gz XEMVDFRYCLXKJJ-LSDHHAIUSA-N 1 0 316.405 0.696 50 0 DCAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000122733569 415835621 /nfs/dbraw/zinc/83/56/21/415835621.db2.gz DOSGBGCSOWJHAW-LLVKDONJSA-N 1 0 309.391 0.535 50 0 DCAARO Cc1nn(CC(=O)NCC[N@@H+]2CCCC[C@H]2CO)cc1Cl ZINC000299793383 416069760 /nfs/dbraw/zinc/06/97/60/416069760.db2.gz GJVDSQMJLYEBCW-LBPRGKRZSA-N 1 0 314.817 0.808 50 0 DCAARO COc1ccc(-c2cc(CNC(=O)[C@H]3C[NH2+]CCO3)no2)cc1 ZINC000299789687 416069852 /nfs/dbraw/zinc/06/98/52/416069852.db2.gz ACJPOPFUTNDWHZ-OAHLLOKOSA-N 1 0 317.345 0.955 50 0 DCAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccn(C(F)F)n1 ZINC000299786505 416070116 /nfs/dbraw/zinc/07/01/16/416070116.db2.gz MLEVRKGQOFITDJ-QWRGUYRKSA-N 1 0 300.309 0.871 50 0 DCAARO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@@H](C)[NH2+]1 ZINC000179162295 416182374 /nfs/dbraw/zinc/18/23/74/416182374.db2.gz JHPBTOJGOKCZKP-HTQZYQBOSA-N 1 0 314.183 0.960 50 0 DCAARO O=C(c1cn[nH]c1)N1CCN(Cc2ccccc2CO)CC1 ZINC000215374324 416327093 /nfs/dbraw/zinc/32/70/93/416327093.db2.gz PDUITTVAKZQYNA-UHFFFAOYSA-N 1 0 300.362 0.860 50 0 DCAARO Cn1nccc1C1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000237677034 416328681 /nfs/dbraw/zinc/32/86/81/416328681.db2.gz CEAZVTRWJPJMMD-CQSZACIVSA-N 1 0 306.410 0.895 50 0 DCAARO CCN(Cc1cnn(CC)c1)C(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000243893563 416330286 /nfs/dbraw/zinc/33/02/86/416330286.db2.gz ASECZTRMCFDYRJ-OAHLLOKOSA-N 1 0 307.442 0.887 50 0 DCAARO OC[C@]1([NH2+]CCN2CCCOCC2)CCOc2ccccc21 ZINC000361375431 416432472 /nfs/dbraw/zinc/43/24/72/416432472.db2.gz DYZLCMHMZFXRCO-QGZVFWFLSA-N 1 0 306.406 0.969 50 0 DCAARO Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000299738502 229368471 /nfs/dbraw/zinc/36/84/71/229368471.db2.gz BOSSQFFLCCQQOR-ZDUSSCGKSA-N 1 0 310.419 0.966 50 0 DCAARO CC[N@H+](C)C[C@@H]1CN(C(=O)Cc2ccc(CO)cc2)C[C@@H]1CO ZINC000091444693 279037806 /nfs/dbraw/zinc/03/78/06/279037806.db2.gz ZPHHVKSSYFUCCS-IAGOWNOFSA-N 1 0 320.433 0.740 50 0 DCAARO COc1cccc(C(=O)N2CCCNC(=O)C2)c1OCCC[NH3+] ZINC000299756151 295284283 /nfs/dbraw/zinc/28/42/83/295284283.db2.gz DIOJRYVCRYRPSW-UHFFFAOYSA-N 1 0 321.377 0.385 50 0 DCAARO C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)CC[NH2+]1 ZINC000155057937 300160862 /nfs/dbraw/zinc/16/08/62/300160862.db2.gz BXHJZKYHZITFDV-GXTWGEPZSA-N 1 0 310.419 0.463 50 0 DCAARO Cc1cccc([C@@H](CNC(=O)CNC(=O)N(C)C)[NH+](C)C)c1 ZINC000534580452 334288969 /nfs/dbraw/zinc/28/89/69/334288969.db2.gz VSWTXWOSIPLCAH-CQSZACIVSA-N 1 0 306.410 0.985 50 0 DCAARO CC[NH+]1CCN(CC(=O)N[C@@H](COC)c2ccccn2)CC1 ZINC000534591393 334294266 /nfs/dbraw/zinc/29/42/66/334294266.db2.gz UCJWAFKUGPUWCD-HNNXBMFYSA-N 1 0 306.410 0.523 50 0 DCAARO CCS(=O)(=O)NC[C@H](C)[NH2+]CC1(Cn2cccn2)CC1 ZINC000534650577 334311710 /nfs/dbraw/zinc/31/17/10/334311710.db2.gz PLQGNSAPIGDXAF-LBPRGKRZSA-N 1 0 300.428 0.581 50 0 DCAARO CC[N@@H+]1C[C@H](NC(=O)c2c(C)nc3ncccn32)[C@@H](OC)C1 ZINC000534664729 334318302 /nfs/dbraw/zinc/31/83/02/334318302.db2.gz NTDLAPJTTMWIBM-RYUDHWBXSA-N 1 0 303.366 0.487 50 0 DCAARO CNC(=O)COc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1OC ZINC000262613019 524074782 /nfs/dbraw/zinc/07/47/82/524074782.db2.gz YOTJHOVSVSAOFT-NSHDSACASA-N 1 0 321.377 0.254 50 0 DCAARO C[C@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[NH2+]1 ZINC000237564481 524535392 /nfs/dbraw/zinc/53/53/92/524535392.db2.gz YHSQQHHVIFKMAU-QFYYESIMSA-N 1 0 316.361 0.175 50 0 DCAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN([C@@H]3C[C@H](C)OC3=O)C[C@@H]2C)CC1 ZINC000084685857 545702627 /nfs/dbraw/zinc/70/26/27/545702627.db2.gz IOTZDPAQXYFIAN-WMHQRMGPSA-N 1 0 323.437 0.565 50 0 DCAARO Cn1cc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCCC2)cn1 ZINC000215850738 545938756 /nfs/dbraw/zinc/93/87/56/545938756.db2.gz VEARGGKBAHGAHE-OAHLLOKOSA-N 1 0 308.426 0.706 50 0 DCAARO O=C(c1ccc2n[nH]nc2c1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000222329402 545941875 /nfs/dbraw/zinc/94/18/75/545941875.db2.gz HENYRDBWYDWYCW-GJZGRUSLSA-N 1 0 315.377 0.629 50 0 DCAARO O=C(NCCNc1ncccn1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229190276 545946837 /nfs/dbraw/zinc/94/68/37/545946837.db2.gz QIFFUTJUNREIHS-STQMWFEESA-N 1 0 304.398 0.815 50 0 DCAARO NC(=O)c1ccc(CNC(=O)N2CCO[C@H](CC[NH3+])C2)cc1 ZINC000670434575 547087857 /nfs/dbraw/zinc/08/78/57/547087857.db2.gz BGDLJTXBXNYDKI-CYBMUJFWSA-N 1 0 306.366 0.045 50 0 DCAARO CC(C)N(C)S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000670437068 547090146 /nfs/dbraw/zinc/09/01/46/547090146.db2.gz HFRSAJOFRAWMDL-CYBMUJFWSA-N 1 0 307.460 0.255 50 0 DCAARO O=C(CN1CCCC1=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000670437058 547090426 /nfs/dbraw/zinc/09/04/26/547090426.db2.gz BXDFGDAVBMADPD-OAHLLOKOSA-N 1 0 323.437 0.712 50 0 DCAARO CCn1ccc(C(=O)NCCNc2cc[nH+]cc2C)cc1=O ZINC000670438487 547091061 /nfs/dbraw/zinc/09/10/61/547091061.db2.gz DSLKOYTXFWEXGM-UHFFFAOYSA-N 1 0 300.362 0.835 50 0 DCAARO O=C(NCCc1noc(CO)n1)c1ccc(C[NH+]2CCCC2)o1 ZINC000670441459 547092225 /nfs/dbraw/zinc/09/22/25/547092225.db2.gz UOKXJXMNMFPNCA-UHFFFAOYSA-N 1 0 320.349 0.723 50 0 DCAARO CC(=O)c1ccc2c(c1)CC[N@@H+](CCN1C(=O)CNC1=O)CC2 ZINC000677380056 547872167 /nfs/dbraw/zinc/87/21/67/547872167.db2.gz RWGSVTHKABVAHF-UHFFFAOYSA-N 1 0 315.373 0.842 50 0 DCAARO C[NH+](C)[C@H]1CCCN(CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000109807146 668140053 /nfs/dbraw/zinc/14/00/53/668140053.db2.gz GOOOHOXIXZQZLQ-ZDUSSCGKSA-N 1 0 316.405 0.998 50 0 DCAARO CN(Cc1cccnc1Cl)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952989327 685602620 /nfs/dbraw/zinc/60/26/20/685602620.db2.gz WCMZEAYGMXRDNK-GFCCVEGCSA-N 1 0 324.812 0.891 50 0 DCAARO C[C@H](CS(=O)(=O)N(C)C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000952992394 685602754 /nfs/dbraw/zinc/60/27/54/685602754.db2.gz LWESNQXLFVAQFX-ZYHUDNBSSA-N 1 0 300.428 0.667 50 0 DCAARO Cc1cccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952984901 685601902 /nfs/dbraw/zinc/60/19/02/685601902.db2.gz YHJWRNUNPMRWOD-QWHCGFSZSA-N 1 0 304.394 0.765 50 0 DCAARO CCOC(=O)N1CCC([NH2+]C[C@H]2Cc3nnc(C)n3C2)CC1 ZINC001772701212 1157840972 /nfs/dbraw/zinc/84/09/72/1157840972.db2.gz JCAQELWOFXNHOV-GFCCVEGCSA-N 1 0 307.398 0.969 50 0 DCAARO CN(C)c1nccnc1N1CC[C@@]2(CO)CCC[N@H+](C)[C@@H]2C1 ZINC001704313000 1179968992 /nfs/dbraw/zinc/96/89/92/1179968992.db2.gz DHEYVZQPFSFQPM-CZUORRHYSA-N 1 0 305.426 0.826 50 0 DCAARO C[N@@H+]1CCC[C@]2(CO)CCN(C(=O)CCCn3cncn3)C[C@@H]12 ZINC001704313310 1179969164 /nfs/dbraw/zinc/96/91/64/1179969164.db2.gz KMMRBKBHARHAOO-GDBMZVCRSA-N 1 0 321.425 0.364 50 0 DCAARO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cn(CCO)nc2C)C1 ZINC001704350719 1179982572 /nfs/dbraw/zinc/98/25/72/1179982572.db2.gz CUZVQERCEIJBCB-GOEBONIOSA-N 1 0 306.410 0.627 50 0 DCAARO CN1C[C@H](O)C[C@H]1c1nnc2n1CCN(C1CCOCC1)C2 ZINC000675009705 748025327 /nfs/dbraw/zinc/02/53/27/748025327.db2.gz DQEBGEQQVAQQPE-OLZOCXBDSA-N 1 0 307.398 0.010 50 0 DCAARO CCn1cnnc1[C@H](C)NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000823592580 758252991 /nfs/dbraw/zinc/25/29/91/758252991.db2.gz QNJZUODSZMMYEE-XQQFMLRXSA-N 1 0 309.414 0.975 50 0 DCAARO COCCC(=O)N1CC[C@@H]2COCC[N@@H+](CCOC)[C@@H]2C1 ZINC000581782133 760249749 /nfs/dbraw/zinc/24/97/49/760249749.db2.gz XEEZVOCTCXSRPV-ZIAGYGMSSA-N 1 0 300.399 0.219 50 0 DCAARO O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000952848783 768910980 /nfs/dbraw/zinc/91/09/80/768910980.db2.gz JQTYHVZCROTZMZ-VHSXEESVSA-N 1 0 319.327 0.608 50 0 DCAARO COc1cccnc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000952884301 768953262 /nfs/dbraw/zinc/95/32/62/768953262.db2.gz XHLHZKUCSLWLCT-NWDGAFQWSA-N 1 0 307.398 0.846 50 0 DCAARO CN(C)c1nccnc1N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC001506397167 1017253544 /nfs/dbraw/zinc/25/35/44/1017253544.db2.gz IJCUULLUSLCMDI-HNNXBMFYSA-N 1 0 316.453 0.759 50 0 DCAARO CN(CC[NH2+][C@H]1CCC(=O)N(CC2CC2)CC1)S(C)(=O)=O ZINC001506407651 1017257878 /nfs/dbraw/zinc/25/78/78/1017257878.db2.gz KSQVUQIYZPCUKO-ZDUSSCGKSA-N 1 0 317.455 0.259 50 0 DCAARO Cc1nncn1CC[N@H+]1CCC[C@H](C(=O)c2nccn2C)C1 ZINC001506415866 1017264315 /nfs/dbraw/zinc/26/43/15/1017264315.db2.gz QOYMTSTUZGNQHD-ZDUSSCGKSA-N 1 0 302.382 0.915 50 0 DCAARO Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH+](C)C)cn1 ZINC000077519393 282114599 /nfs/dbraw/zinc/11/45/99/282114599.db2.gz GEXBQBPYURKLDZ-GFCCVEGCSA-N 1 0 300.428 0.915 50 0 DCAARO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000095432073 185363644 /nfs/dbraw/zinc/36/36/44/185363644.db2.gz ZDQYAIQNQOZSQV-VYDXJSESSA-N 1 0 314.470 0.846 50 0 DCAARO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2CC(N)=O)cc(OC)c1 ZINC000095466749 185371680 /nfs/dbraw/zinc/37/16/80/185371680.db2.gz PSVVVDJSFHMLGV-LBPRGKRZSA-N 1 0 321.377 0.982 50 0 DCAARO NS(=O)(=O)c1ccc2c(c1)N(C(=O)CC1([NH3+])CCC1)CC2 ZINC000097019827 185398261 /nfs/dbraw/zinc/39/82/61/185398261.db2.gz STJOUHWLTMULCH-UHFFFAOYSA-N 1 0 309.391 0.495 50 0 DCAARO CO[C@H]1CN(C(=O)c2cccc(-n3nnnc3C)c2)CC[C@H]1[NH3+] ZINC000071764494 191027925 /nfs/dbraw/zinc/02/79/25/191027925.db2.gz MAAFODSPURGWQS-KGLIPLIRSA-N 1 0 316.365 0.159 50 0 DCAARO Cn1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)nc1Cl ZINC000237803280 282666402 /nfs/dbraw/zinc/66/64/02/282666402.db2.gz AMUBYZSYLSTEOI-SECBINFHSA-N 1 0 306.819 0.742 50 0 DCAARO Cc1cc(N2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)nc(N)[nH+]1 ZINC000072147113 191053089 /nfs/dbraw/zinc/05/30/89/191053089.db2.gz OZNVSGPXJNALBQ-NSHDSACASA-N 1 0 305.382 0.743 50 0 DCAARO Cc1cc2nc(C(=O)N3CC[C@@](O)(C[NH+](C)C)C3)cc(C)n2n1 ZINC000072141715 191048705 /nfs/dbraw/zinc/04/87/05/191048705.db2.gz VLVPEGVPWPYRIZ-MRXNPFEDSA-N 1 0 317.393 0.485 50 0 DCAARO O=C(C[C@@H]1COCC[NH2+]1)NCCc1cnn(-c2ccccc2)c1 ZINC000072163522 191063543 /nfs/dbraw/zinc/06/35/43/191063543.db2.gz NGEVCBBCOYSEPJ-OAHLLOKOSA-N 1 0 314.389 0.910 50 0 DCAARO [NH3+][C@H]1CCCN(C(=O)Cn2cnc3ccsc3c2=O)CC1 ZINC000072164324 191064176 /nfs/dbraw/zinc/06/41/76/191064176.db2.gz XJKPLOXIHFURAA-JTQLQIEISA-N 1 0 306.391 0.798 50 0 DCAARO Cn1nccc1[C@H]1CCC[N@H+](CCCNS(C)(=O)=O)C1 ZINC000072273102 191095436 /nfs/dbraw/zinc/09/54/36/191095436.db2.gz QYTNFACUYZTCJL-LBPRGKRZSA-N 1 0 300.428 0.539 50 0 DCAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)NCCCn1ccnc1 ZINC000072459045 191172828 /nfs/dbraw/zinc/17/28/28/191172828.db2.gz GNEJFHJAMHNFTF-UHFFFAOYSA-N 1 0 316.409 0.712 50 0 DCAARO COc1ncccc1NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072469418 191175105 /nfs/dbraw/zinc/17/51/05/191175105.db2.gz SMWUTJQGWODWOB-UHFFFAOYSA-N 1 0 301.350 0.961 50 0 DCAARO CCc1nn2c(nc(CN3CC[C@H]4C[NH2+]C[C@H]43)cc2=O)s1 ZINC000077355298 191698955 /nfs/dbraw/zinc/69/89/55/191698955.db2.gz KZTGZDDEFWAXHV-GXSJLCMTSA-N 1 0 305.407 0.507 50 0 DCAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000237165791 202173988 /nfs/dbraw/zinc/17/39/88/202173988.db2.gz AOYNBCQHBFWHTB-HUUCEWRRSA-N 1 0 319.405 0.204 50 0 DCAARO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCOC1 ZINC000237176584 202177665 /nfs/dbraw/zinc/17/76/65/202177665.db2.gz HBHCDQMJCJNAOI-ZDUSSCGKSA-N 1 0 314.407 0.178 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000237350335 202241736 /nfs/dbraw/zinc/24/17/36/202241736.db2.gz YTYZXGUDLRPPOB-ZCRIDZFUSA-N 1 0 323.418 0.428 50 0 DCAARO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000237636890 202312050 /nfs/dbraw/zinc/31/20/50/202312050.db2.gz CDKVATVZBWMIKP-CMPLNLGQSA-N 1 0 323.418 0.473 50 0 DCAARO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277724421 238330974 /nfs/dbraw/zinc/33/09/74/238330974.db2.gz XGVXQWDQKDSOCF-TUKIKUTGSA-N 1 0 307.369 0.491 50 0 DCAARO Nc1nc(NCCc2cn3cccnc3n2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244840358 202503637 /nfs/dbraw/zinc/50/36/37/202503637.db2.gz ULMAXUYHFQOKLP-PHIMTYICSA-N 1 0 324.392 0.961 50 0 DCAARO [NH3+]CC1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000006746929 181381753 /nfs/dbraw/zinc/38/17/53/181381753.db2.gz TUKNPJVFQNJRHP-UHFFFAOYSA-N 1 0 322.394 0.022 50 0 DCAARO Cn1ccnc1CN1C[C@H](CO)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000091460334 193059589 /nfs/dbraw/zinc/05/95/89/193059589.db2.gz KJCQDYNWOUENLG-HZPDHXFCSA-N 1 0 322.453 0.165 50 0 DCAARO CC(C)[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1NC(=O)Cn1cnnc1 ZINC000091645379 193084667 /nfs/dbraw/zinc/08/46/67/193084667.db2.gz GMKCHVLBSCCDAF-CABCVRRESA-N 1 0 321.425 0.530 50 0 DCAARO COCC[N@H+](C)C[C@H]1C[C@@H](CO)CN(c2ccnc(N)n2)C1 ZINC000091663913 193086691 /nfs/dbraw/zinc/08/66/91/193086691.db2.gz MPQPYDZZISPPSY-CHWSQXEVSA-N 1 0 309.414 0.072 50 0 DCAARO Cc1ccc(CCNC(=O)C[NH+]2CCC(C(N)=O)CC2)s1 ZINC000091679028 193090002 /nfs/dbraw/zinc/09/00/02/193090002.db2.gz STYJVQHGILGKBI-UHFFFAOYSA-N 1 0 309.435 0.913 50 0 DCAARO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c(F)c1 ZINC000091713105 193095905 /nfs/dbraw/zinc/09/59/05/193095905.db2.gz ZBYCYWSCIKUMKK-ZIAGYGMSSA-N 1 0 324.396 0.739 50 0 DCAARO Nc1ncccc1C[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000091746090 193100209 /nfs/dbraw/zinc/10/02/09/193100209.db2.gz GSVLOUPGDRPBQG-UHFFFAOYSA-N 1 0 318.421 0.861 50 0 DCAARO Cc1nc(C)c(CC(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)s1 ZINC000091624870 193080120 /nfs/dbraw/zinc/08/01/20/193080120.db2.gz IUPJCBORSKUQDO-CHWSQXEVSA-N 1 0 311.451 0.931 50 0 DCAARO CCN1C[C@@H](C(=O)N2CCN(c3cc[nH+]c(C)c3)CC2)CC1=O ZINC000091770330 193105386 /nfs/dbraw/zinc/10/53/86/193105386.db2.gz ZVRUDNRNLRPIGL-AWEZNQCLSA-N 1 0 316.405 0.907 50 0 DCAARO NC(=O)[C@@H]1CCC[N@H+](CCNc2nc(N)nc3c2CCCC3)C1 ZINC000091818936 193112405 /nfs/dbraw/zinc/11/24/05/193112405.db2.gz CMYHIBSRUFNOMG-LLVKDONJSA-N 1 0 318.425 0.547 50 0 DCAARO CN(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccn1 ZINC000092019357 193143354 /nfs/dbraw/zinc/14/33/54/193143354.db2.gz CRTKJFNEIOIGSK-DZGCQCFKSA-N 1 0 316.405 0.593 50 0 DCAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000457197980 240981431 /nfs/dbraw/zinc/98/14/31/240981431.db2.gz AVXWKGGLLZNTDI-GFCCVEGCSA-N 1 0 319.471 0.505 50 0 DCAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCN(c2cccc(O)c2)CC1 ZINC000215561606 201464323 /nfs/dbraw/zinc/46/43/23/201464323.db2.gz PFGZBQADLXIIBF-HNNXBMFYSA-N 1 0 305.378 0.419 50 0 DCAARO O=C(CNC(=O)C[NH2+]C1CC1)Nc1ccc(F)c(F)c1F ZINC000008339530 181550256 /nfs/dbraw/zinc/55/02/56/181550256.db2.gz CNVBNAUXDLIQEP-UHFFFAOYSA-N 1 0 301.268 0.911 50 0 DCAARO CN(c1ccc(C(=O)NCCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000010111430 181656672 /nfs/dbraw/zinc/65/66/72/181656672.db2.gz OLTKMDBKZRLNSX-UHFFFAOYSA-N 1 0 313.423 0.764 50 0 DCAARO CCn1cncc1C[NH+]1CCC(Cn2cc(CO)nn2)CC1 ZINC000020203990 182197797 /nfs/dbraw/zinc/19/77/97/182197797.db2.gz GHMHDMWHOOZFNH-UHFFFAOYSA-N 1 0 304.398 0.899 50 0 DCAARO C[NH+]1CCN(CCNS(=O)(=O)Cc2ccccc2F)CC1 ZINC000020726695 182244651 /nfs/dbraw/zinc/24/46/51/182244651.db2.gz QCVRZTWEUIEUEE-UHFFFAOYSA-N 1 0 315.414 0.493 50 0 DCAARO COC[C@@H](O)C[N@H+](CCO)C[C@@H](O)Cn1ccc2ccccc21 ZINC000021364639 182273134 /nfs/dbraw/zinc/27/31/34/182273134.db2.gz QHFPUUSVICKZOS-CVEARBPZSA-N 1 0 322.405 0.304 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ncn(C)c1Cl ZINC000035186436 182760517 /nfs/dbraw/zinc/76/05/17/182760517.db2.gz JSOIOVGGXYRZLB-SECBINFHSA-N 1 0 306.819 0.836 50 0 DCAARO O=C(NCc1ccccc1OC(F)(F)F)[C@H]1C[C@H](O)C[NH2+]1 ZINC000040855953 183143127 /nfs/dbraw/zinc/14/31/27/183143127.db2.gz OVIRACXPWNSNHH-VHSXEESVSA-N 1 0 304.268 0.924 50 0 DCAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccn[nH]1 ZINC000042379280 183261718 /nfs/dbraw/zinc/26/17/18/183261718.db2.gz STXSTXSSMFYCSZ-UHFFFAOYSA-N 1 0 313.405 0.957 50 0 DCAARO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000058123474 184077690 /nfs/dbraw/zinc/07/76/90/184077690.db2.gz IYACIWIUSQADGQ-GHMZBOCLSA-N 1 0 307.350 0.650 50 0 DCAARO CCCS(=O)(=O)N1CCC(C(=O)NCC[N@H+](C)CC)CC1 ZINC000065405862 184338792 /nfs/dbraw/zinc/33/87/92/184338792.db2.gz JBFMSKRGRFIYEG-UHFFFAOYSA-N 1 0 319.471 0.506 50 0 DCAARO CCN1C[C@H]([NH2+]CC(=O)NCc2ccccc2OC)CC1=O ZINC000065528029 184359986 /nfs/dbraw/zinc/35/99/86/184359986.db2.gz JQOKVXPTGGWUOJ-CYBMUJFWSA-N 1 0 305.378 0.522 50 0 DCAARO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000065495725 184354846 /nfs/dbraw/zinc/35/48/46/184354846.db2.gz LUHZDAFXKVCLQY-SECBINFHSA-N 1 0 300.428 0.798 50 0 DCAARO CC(C)CO[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000065516618 184358568 /nfs/dbraw/zinc/35/85/68/184358568.db2.gz DODXLEWPTBIEOH-KGLIPLIRSA-N 1 0 313.442 0.751 50 0 DCAARO CC(C)(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)S(C)(=O)=O ZINC000239762530 257238161 /nfs/dbraw/zinc/23/81/61/257238161.db2.gz CLXCLQAEWOPFRD-TUAOUCFPSA-N 1 0 302.440 0.847 50 0 DCAARO Cc1noc(C)c1CN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000237606605 257238934 /nfs/dbraw/zinc/23/89/34/257238934.db2.gz IKCBNMPTYBNXLE-INIZCTEOSA-N 1 0 306.410 0.935 50 0 DCAARO C[NH2+]Cc1nnc(SCC(=O)Nc2cnn(C)c2C)n1C ZINC000426700047 257244649 /nfs/dbraw/zinc/24/46/49/257244649.db2.gz NGAZQWIPDIXMOS-UHFFFAOYSA-N 1 0 309.399 0.307 50 0 DCAARO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000426556092 257247168 /nfs/dbraw/zinc/24/71/68/257247168.db2.gz ZKARJTZYROPLFB-CYBMUJFWSA-N 1 0 319.409 0.293 50 0 DCAARO O=C(NCc1ncc[nH]1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000426420133 257250845 /nfs/dbraw/zinc/25/08/45/257250845.db2.gz NEGZFJGXLVUWKG-CYBMUJFWSA-N 1 0 307.398 0.398 50 0 DCAARO CCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COCc1ccco1)CC2 ZINC000071876944 184882332 /nfs/dbraw/zinc/88/23/32/184882332.db2.gz FPIFAHXMULPSLL-OLZOCXBDSA-N 1 0 320.393 0.916 50 0 DCAARO C[C@@H]1CCCN(C(=O)c2cn(Cc3ccccn3)nn2)[C@H]1C[NH3+] ZINC000299739613 533671908 /nfs/dbraw/zinc/67/19/08/533671908.db2.gz QPOXUGGCXBEKPL-DOMZBBRYSA-N 1 0 314.393 0.921 50 0 DCAARO Cc1cc(NC(=O)CCN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)no1 ZINC000284887107 131119174 /nfs/dbraw/zinc/11/91/74/131119174.db2.gz QYQIXKHMOVNMBK-CHWSQXEVSA-N 1 0 308.382 0.717 50 0 DCAARO CC[NH+]1CCN(c2ncc(C(=O)NCCCOC)c(C)n2)CC1 ZINC000021638459 395691586 /nfs/dbraw/zinc/69/15/86/395691586.db2.gz PMTGDDOQXZBWNM-UHFFFAOYSA-N 1 0 321.425 0.693 50 0 DCAARO OCC[NH+](CCO)C[C@H](O)COc1ccc2ccccc2c1 ZINC000002337725 395681387 /nfs/dbraw/zinc/68/13/87/395681387.db2.gz CTYGHMSAVUCPKO-INIZCTEOSA-N 1 0 305.374 0.866 50 0 DCAARO CSc1ccc(C[NH2+]CCNC(=O)c2nonc2N)cc1 ZINC000002349994 395681412 /nfs/dbraw/zinc/68/14/12/395681412.db2.gz FWVSRXXBDPSWEG-UHFFFAOYSA-N 1 0 307.379 0.893 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002852443 395681977 /nfs/dbraw/zinc/68/19/77/395681977.db2.gz ZAMQWHXEYDTEBC-GFCCVEGCSA-N 1 0 319.361 0.954 50 0 DCAARO CC[C@@H](CO)[NH2+]C[C@@H](O)COCc1ccc(OC)c(OC)c1 ZINC000006949343 395683225 /nfs/dbraw/zinc/68/32/25/395683225.db2.gz WKVXFLZYMPZSLW-UONOGXRCSA-N 1 0 313.394 0.942 50 0 DCAARO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cc[nH]c3)CC2)cn1 ZINC000086254963 395703184 /nfs/dbraw/zinc/70/31/84/395703184.db2.gz LEIOTWQZNKDGJJ-UHFFFAOYSA-N 1 0 323.422 0.691 50 0 DCAARO Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000031903754 395708614 /nfs/dbraw/zinc/70/86/14/395708614.db2.gz CRQULWQERGQJDX-ZDUSSCGKSA-N 1 0 300.424 0.974 50 0 DCAARO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000032230025 395709340 /nfs/dbraw/zinc/70/93/40/395709340.db2.gz RHYBOLJDONTVES-ZIAGYGMSSA-N 1 0 313.419 0.820 50 0 DCAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)cc1 ZINC000089632314 395713998 /nfs/dbraw/zinc/71/39/98/395713998.db2.gz ZKDPJBBPJKGGPY-HNNXBMFYSA-N 1 0 316.405 0.711 50 0 DCAARO CC(C)N1C(=O)N[C@@]2(CC[N@H+](CCCc3cn[nH]c3)C2)C1=O ZINC000089869840 395715690 /nfs/dbraw/zinc/71/56/90/395715690.db2.gz JNQVPJKVOQROQM-OAHLLOKOSA-N 1 0 305.382 0.747 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000089937280 395717385 /nfs/dbraw/zinc/71/73/85/395717385.db2.gz UHYQICMSXAGYFT-PBHICJAKSA-N 1 0 319.453 0.447 50 0 DCAARO Cc1nnsc1C(=O)NCCNc1cc(N(C)C)nc(C)[nH+]1 ZINC000038488298 395731914 /nfs/dbraw/zinc/73/19/14/395731914.db2.gz OIDJFNGWZVFHRT-UHFFFAOYSA-N 1 0 321.410 0.853 50 0 DCAARO COCCN1C[C@H](C(=O)NCC2([NH+](C)C)CCCC2)CC1=O ZINC000042764938 395748718 /nfs/dbraw/zinc/74/87/18/395748718.db2.gz MOFLYPCEKRTDCC-CYBMUJFWSA-N 1 0 311.426 0.472 50 0 DCAARO Cc1cccc(=O)n1CCC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000097288796 395757145 /nfs/dbraw/zinc/75/71/45/395757145.db2.gz WKSQEGVTEDOBMN-INIZCTEOSA-N 1 0 307.394 0.072 50 0 DCAARO C[N@@H+]1CCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C[C@@H](O)C1 ZINC000097675542 395759562 /nfs/dbraw/zinc/75/95/62/395759562.db2.gz LJSHKAGAFDHIRD-HNNXBMFYSA-N 1 0 300.362 0.825 50 0 DCAARO COCc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000097732520 395760392 /nfs/dbraw/zinc/76/03/92/395760392.db2.gz OHDMLIOMAPTXCJ-OAHLLOKOSA-N 1 0 319.405 0.760 50 0 DCAARO Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000097711626 395760523 /nfs/dbraw/zinc/76/05/23/395760523.db2.gz FBTPINAEJPEKFC-CYBMUJFWSA-N 1 0 318.425 0.019 50 0 DCAARO O=C(Cc1cnc[nH]1)N1CCN(c2cc[nH+]cc2)C[C@H](O)C1 ZINC000097805645 395760753 /nfs/dbraw/zinc/76/07/53/395760753.db2.gz SMTINWJHFWQWLO-AWEZNQCLSA-N 1 0 301.350 0.057 50 0 DCAARO O=C(Cn1cccnc1=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000097823226 395760814 /nfs/dbraw/zinc/76/08/14/395760814.db2.gz ZRDNTYUNNHOZIF-UHFFFAOYSA-N 1 0 322.434 0.283 50 0 DCAARO [NH3+][C@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)C[C@@H]1CCO ZINC000097773082 395760880 /nfs/dbraw/zinc/76/08/80/395760880.db2.gz ATXHGZQQYFSGDW-ZFWWWQNUSA-N 1 0 300.362 0.654 50 0 DCAARO O=c1c(=O)c(NCc2ccncc2)c1NCCCn1ccnc1 ZINC000101692177 395766457 /nfs/dbraw/zinc/76/64/57/395766457.db2.gz OXTWIKRDSAQFDH-UHFFFAOYSA-N 1 0 311.345 0.988 50 0 DCAARO CN1N=C(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC000048260791 395811685 /nfs/dbraw/zinc/81/16/85/395811685.db2.gz VAGZYGUAQFZXCS-CQSZACIVSA-N 1 0 314.389 0.985 50 0 DCAARO Cc1cc(C)n2nc(C(=O)NCCC[NH+]3CCCC3)nc2n1 ZINC000048355636 395814096 /nfs/dbraw/zinc/81/40/96/395814096.db2.gz YRLLSBDOPPGDQH-UHFFFAOYSA-N 1 0 302.382 0.957 50 0 DCAARO Cn1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1=O ZINC000048481629 395815798 /nfs/dbraw/zinc/81/57/98/395815798.db2.gz WUEGCCLBTNKYLZ-UHFFFAOYSA-N 1 0 319.405 0.570 50 0 DCAARO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(Cn2cc(CCO)nn2)CC1 ZINC000048488518 395816565 /nfs/dbraw/zinc/81/65/65/395816565.db2.gz QVXJQHMWBNJEAP-WFASDCNBSA-N 1 0 323.441 0.425 50 0 DCAARO Cc1ncc(C(=O)NCCCOC2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000218874326 395843726 /nfs/dbraw/zinc/84/37/26/395843726.db2.gz MIUANGSTHKYAHZ-UHFFFAOYSA-N 1 0 308.382 0.309 50 0 DCAARO Cc1nc(SCC(=O)NCC2([NH+](C)C)CCOCC2)n[nH]1 ZINC000222829740 395853253 /nfs/dbraw/zinc/85/32/53/395853253.db2.gz YQZWEFIQHASFNG-UHFFFAOYSA-N 1 0 313.427 0.432 50 0 DCAARO CN(C)C(=O)N1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000223379040 395855154 /nfs/dbraw/zinc/85/51/54/395855154.db2.gz CUWKJJHEPPSICT-UHFFFAOYSA-N 1 0 319.413 0.067 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000125446160 395903390 /nfs/dbraw/zinc/90/33/90/395903390.db2.gz ZJPCCHUDMBDWRK-NSHDSACASA-N 1 0 302.378 0.999 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000125750762 395905729 /nfs/dbraw/zinc/90/57/29/395905729.db2.gz GGYCEVDPIMUAFW-VIFPVBQESA-N 1 0 306.757 0.750 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000126118641 395909925 /nfs/dbraw/zinc/90/99/25/395909925.db2.gz OVJXTSDOCDBLOL-HOCLYGCPSA-N 1 0 303.406 0.708 50 0 DCAARO CCC(=O)Nc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC000055327024 395917282 /nfs/dbraw/zinc/91/72/82/395917282.db2.gz XSXOGZQBRCULFH-CHWSQXEVSA-N 1 0 305.378 0.593 50 0 DCAARO OCC(CO)[NH2+][C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 ZINC000244817118 395925304 /nfs/dbraw/zinc/92/53/04/395925304.db2.gz SUQGDYXQOFWOPL-MJEQTWJJSA-N 1 0 302.374 0.990 50 0 DCAARO C[NH2+]Cc1ccc(CNC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000225487186 395861619 /nfs/dbraw/zinc/86/16/19/395861619.db2.gz GVQJYGGRHWGEBA-UHFFFAOYSA-N 1 0 300.362 0.773 50 0 DCAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC000229531918 395874601 /nfs/dbraw/zinc/87/46/01/395874601.db2.gz GVDBLGYOFHHGLO-LSDHHAIUSA-N 1 0 304.398 0.617 50 0 DCAARO CC1CC[NH+](C[C@@H](O)CN2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC000229516327 395874675 /nfs/dbraw/zinc/87/46/75/395874675.db2.gz CLVUZJXDPNXVFA-IAGOWNOFSA-N 1 0 322.453 0.677 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCOCC1 ZINC000229560360 395875933 /nfs/dbraw/zinc/87/59/33/395875933.db2.gz ZEPJAFJQOOIMOY-CWRNSKLLSA-N 1 0 323.437 0.709 50 0 DCAARO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000058343357 395953086 /nfs/dbraw/zinc/95/30/86/395953086.db2.gz ZVLQSZWHJYTYBT-LBPRGKRZSA-N 1 0 306.410 0.722 50 0 DCAARO O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000151563346 395988492 /nfs/dbraw/zinc/98/84/92/395988492.db2.gz FTHUPFMNJMGHFV-JQWIXIFHSA-N 1 0 318.295 0.967 50 0 DCAARO Cc1nc(CCNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)cc(=O)[nH]1 ZINC000252540168 396023144 /nfs/dbraw/zinc/02/31/44/396023144.db2.gz OUNJNFVIWCLJLG-AOOOYVTPSA-N 1 0 315.381 0.722 50 0 DCAARO COc1nc(OC)nc(N2CCC3(CC2)C[N@H+](C)CCN3C)n1 ZINC000067672966 396030683 /nfs/dbraw/zinc/03/06/83/396030683.db2.gz GESFHKNHHFUPNQ-UHFFFAOYSA-N 1 0 322.413 0.105 50 0 DCAARO CC1(C)CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)CCO1 ZINC000067770802 396033457 /nfs/dbraw/zinc/03/34/57/396033457.db2.gz FVIUJOXMWGXWCZ-GFCCVEGCSA-N 1 0 307.398 0.529 50 0 DCAARO C[C@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)C[C@H](C)[NH2+]1 ZINC000154235245 396034274 /nfs/dbraw/zinc/03/42/74/396034274.db2.gz MOWJCRFMRQRQNL-RYUDHWBXSA-N 1 0 305.378 0.763 50 0 DCAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]CCO ZINC000067841552 396036034 /nfs/dbraw/zinc/03/60/34/396036034.db2.gz RDAZNHDHTAPVII-KRWDZBQOSA-N 1 0 306.406 0.555 50 0 DCAARO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3C[N@@H+](C)C[C@H]3C)cc12 ZINC000257366037 396046883 /nfs/dbraw/zinc/04/68/83/396046883.db2.gz HFKPYLKSIKNOMF-RNCFNFMXSA-N 1 0 323.422 0.505 50 0 DCAARO CNC(=O)c1cccc(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000155723117 396056822 /nfs/dbraw/zinc/05/68/22/396056822.db2.gz NIUNJBAPRDKITR-HNNXBMFYSA-N 1 0 318.421 0.934 50 0 DCAARO NC(=O)N1CCC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000261755096 396061993 /nfs/dbraw/zinc/06/19/93/396061993.db2.gz NSBYBFSQROEZCW-SOUVJXGZSA-N 1 0 316.405 0.730 50 0 DCAARO CN(CCCc1cnn(C)c1)C(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000252490613 396020874 /nfs/dbraw/zinc/02/08/74/396020874.db2.gz KXUFGCVSKRFFDH-OAHLLOKOSA-N 1 0 307.442 0.447 50 0 DCAARO Cc1cc(C)n(CCCNC(=O)CN2CC[C@@H]([NH+](C)C)C2)n1 ZINC000252494847 396020981 /nfs/dbraw/zinc/02/09/81/396020981.db2.gz OGLUZTVEXZTLMD-OAHLLOKOSA-N 1 0 307.442 0.642 50 0 DCAARO CC(C)NC(=O)CN(C)CC(C)C[N@H+](C)CC(=O)NC(C)C ZINC000069658527 396086263 /nfs/dbraw/zinc/08/62/63/396086263.db2.gz DXRBBHSTTUSXID-UHFFFAOYSA-N 1 0 314.474 0.535 50 0 DCAARO COCCCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(C)=O ZINC000069705839 396088002 /nfs/dbraw/zinc/08/80/02/396088002.db2.gz XVNVWOKZAYTFST-CABCVRRESA-N 1 0 311.426 0.614 50 0 DCAARO CC[NH+](CC)[C@H](C)CNC(=O)COc1ccc(CC(N)=O)cc1 ZINC000069743272 396089531 /nfs/dbraw/zinc/08/95/31/396089531.db2.gz OTOXWTLOBNWFEL-CYBMUJFWSA-N 1 0 321.421 0.940 50 0 DCAARO C[NH+](C)C[C@H]1CN(C[C@H](O)COCc2ccccc2)CCO1 ZINC000069814272 396091167 /nfs/dbraw/zinc/09/11/67/396091167.db2.gz YUKYWKABRJISOK-IRXDYDNUSA-N 1 0 308.422 0.827 50 0 DCAARO O=C(N1CCOCC1)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000069877190 396093840 /nfs/dbraw/zinc/09/38/40/396093840.db2.gz PKTRJLHTFHDGBR-UHFFFAOYSA-N 1 0 311.426 0.751 50 0 DCAARO CC(=O)NCCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1nc(C)cc1C ZINC000070003737 396097472 /nfs/dbraw/zinc/09/74/72/396097472.db2.gz UDTNPPAKJLWTIG-OAHLLOKOSA-N 1 0 321.425 0.217 50 0 DCAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCNC(=O)C1 ZINC000071839316 396117797 /nfs/dbraw/zinc/11/77/97/396117797.db2.gz LGZUAPWGLQBRIK-AWEZNQCLSA-N 1 0 319.380 0.996 50 0 DCAARO Cn1nnnc1SCCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071886445 396123636 /nfs/dbraw/zinc/12/36/36/396123636.db2.gz FFBSIEQDSNEFQQ-LBPRGKRZSA-N 1 0 324.454 0.779 50 0 DCAARO Cc1cnn(CCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000072269253 396127885 /nfs/dbraw/zinc/12/78/85/396127885.db2.gz PXMINRDLQLLSMB-LSDHHAIUSA-N 1 0 306.410 0.639 50 0 DCAARO Cc1cnn(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000072269252 396128256 /nfs/dbraw/zinc/12/82/56/396128256.db2.gz PXMINRDLQLLSMB-HUUCEWRRSA-N 1 0 306.410 0.639 50 0 DCAARO CCCCN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000069417185 396078214 /nfs/dbraw/zinc/07/82/14/396078214.db2.gz XZRAIEIXYSVRFK-ZDUSSCGKSA-N 1 0 307.460 0.664 50 0 DCAARO C[NH+](C)[C@@H](CNC(=O)CCN1C(=O)CCC1=O)c1ccccc1 ZINC000069565929 396082547 /nfs/dbraw/zinc/08/25/47/396082547.db2.gz INHALJBMWCAYRI-AWEZNQCLSA-N 1 0 317.389 0.945 50 0 DCAARO NC(=O)CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000069589224 396083584 /nfs/dbraw/zinc/08/35/84/396083584.db2.gz QNNRHFSORNWEKM-LBPRGKRZSA-N 1 0 311.407 0.305 50 0 DCAARO COCC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2)C1 ZINC000078602747 396249169 /nfs/dbraw/zinc/24/91/69/396249169.db2.gz FFNWAGVGKLJCLW-ZDUSSCGKSA-N 1 0 306.366 0.247 50 0 DCAARO Cn1cc(C[C@@H]2CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)cn1 ZINC000078988322 396259236 /nfs/dbraw/zinc/25/92/36/396259236.db2.gz AMIZPUJHOSIBPB-ZFWWWQNUSA-N 1 0 306.410 0.580 50 0 DCAARO O=C(NCc1ccncn1)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000077298120 396217334 /nfs/dbraw/zinc/21/73/34/396217334.db2.gz ICVRSPGKRBEFPF-LBPRGKRZSA-N 1 0 315.381 0.530 50 0 DCAARO O[C@@]1(C[NH+]2CCCC2)COCCN(c2ncnc3nc[nH]c32)C1 ZINC000077303135 396218246 /nfs/dbraw/zinc/21/82/46/396218246.db2.gz XOKQNUYWAMHPDH-OAHLLOKOSA-N 1 0 318.381 0.016 50 0 DCAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)[nH]n1 ZINC000179122494 396221861 /nfs/dbraw/zinc/22/18/61/396221861.db2.gz PZCYWAMKWGNMFA-NSHDSACASA-N 1 0 302.382 0.861 50 0 DCAARO [NH3+]CCn1cc(C(=O)NCc2csc(N3CCCC3)n2)nn1 ZINC000077471592 396223751 /nfs/dbraw/zinc/22/37/51/396223751.db2.gz HJOGXXOLPILMMP-UHFFFAOYSA-N 1 0 321.410 0.224 50 0 DCAARO C[N@@H+]1CC[C@H]2CN(c3ccc(C(=O)N4CCOCC4)cn3)C[C@H]21 ZINC000077517742 396224973 /nfs/dbraw/zinc/22/49/73/396224973.db2.gz FFXPETCLGYGNJW-LSDHHAIUSA-N 1 0 316.405 0.694 50 0 DCAARO O[C@]1(C[NH+]2CCCC2)COCCN(c2ncnc3[nH]ccc32)C1 ZINC000077503987 396225051 /nfs/dbraw/zinc/22/50/51/396225051.db2.gz WFCDQUHOAVJUKM-INIZCTEOSA-N 1 0 317.393 0.621 50 0 DCAARO O=C1N(C[C@H]2COCCO2)c2ccccc2NC12CC[NH2+]CC2 ZINC000082091822 396310464 /nfs/dbraw/zinc/31/04/64/396310464.db2.gz WRZIHJVBYQFMCM-ZDUSSCGKSA-N 1 0 317.389 0.983 50 0 DCAARO CC(C)C[NH+]1CCN(C(=O)[C@@H]2CSC(C)(C)C(=O)N2)CC1 ZINC000584892221 396633920 /nfs/dbraw/zinc/63/39/20/396633920.db2.gz SVGWOQRUNLADQC-LBPRGKRZSA-N 1 0 313.467 0.797 50 0 DCAARO C[N@@H+]1CCCN(CC(=O)N[C@H]2COc3ccccc3C2)CC1 ZINC000584899062 396636294 /nfs/dbraw/zinc/63/62/94/396636294.db2.gz RWGRXOXMODQHNI-OAHLLOKOSA-N 1 0 303.406 0.744 50 0 DCAARO CCCCNC(=O)[C@@H](C)N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000585140772 396641531 /nfs/dbraw/zinc/64/15/31/396641531.db2.gz JJPWTNSGDLSSHQ-MNOVXSKESA-N 1 0 308.382 0.982 50 0 DCAARO C[NH2+][C@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000133741269 196333367 /nfs/dbraw/zinc/33/33/67/196333367.db2.gz JLQZWDZOYVXEMP-ZDUSSCGKSA-N 1 0 314.389 0.997 50 0 DCAARO CCOc1cc2c(cc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)O[C@H](C)C2 ZINC000269209925 415248733 /nfs/dbraw/zinc/24/87/33/415248733.db2.gz OTNIIUYOPFUMAV-HONMWMINSA-N 1 0 320.389 0.748 50 0 DCAARO O=C(NCc1ccc(F)cc1Br)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269241842 415249539 /nfs/dbraw/zinc/24/95/39/415249539.db2.gz IFFYCDVQQRRLRT-MWLCHTKSSA-N 1 0 317.158 0.927 50 0 DCAARO [NH2+]=C1c2c(cc(=O)n3c2N[C@H]2C=CC=C[C@@H]23)CN1Cc1ccco1 ZINC000057940732 415335595 /nfs/dbraw/zinc/33/55/95/415335595.db2.gz QGXREZRGNJJXHS-KBPBESRZSA-N 1 0 320.352 0.150 50 0 DCAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[NH2+]CCO ZINC000067473035 415379269 /nfs/dbraw/zinc/37/92/69/415379269.db2.gz DEKFJEDQCGOPHO-OAHLLOKOSA-N 1 0 314.332 0.400 50 0 DCAARO Nc1nc2c(c(NCCCOc3cccnc3)n1)CC[NH2+]C2 ZINC000067867154 415389318 /nfs/dbraw/zinc/38/93/18/415389318.db2.gz DHZQSHZKCUCLRG-UHFFFAOYSA-N 1 0 300.366 0.981 50 0 DCAARO COc1ccccc1CN(C)C(=O)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000075133348 415436225 /nfs/dbraw/zinc/43/62/25/415436225.db2.gz VIFPBWYDBYOMTA-HNNXBMFYSA-N 1 0 321.421 0.574 50 0 DCAARO C[NH+](C)CCN1CCC(NC(=O)NCc2cccnc2)CC1 ZINC000075572573 415445775 /nfs/dbraw/zinc/44/57/75/415445775.db2.gz TZAMGOBUUIKMDO-UHFFFAOYSA-N 1 0 305.426 0.907 50 0 DCAARO O=C(NCCc1c[nH]cn1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095367320 415552796 /nfs/dbraw/zinc/55/27/96/415552796.db2.gz PVSUKJDJQZILIK-CYBMUJFWSA-N 1 0 306.410 0.959 50 0 DCAARO Cc1cc(=O)[nH]c(NCCn2cc([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000095378752 415558675 /nfs/dbraw/zinc/55/86/75/415558675.db2.gz NWVLBOGMLKWLIO-NSHDSACASA-N 1 0 303.370 0.249 50 0 DCAARO CNC(=O)NC(=O)CN[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000095986386 415569739 /nfs/dbraw/zinc/56/97/39/415569739.db2.gz MGACQBNOYCHATH-AWEZNQCLSA-N 1 0 304.394 0.869 50 0 DCAARO C[C@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000107059352 415660071 /nfs/dbraw/zinc/66/00/71/415660071.db2.gz MYCIDNYXIIZUGM-XHBSWPGZSA-N 1 0 322.409 0.307 50 0 DCAARO Cc1cc([C@H]2CCC[N@H+](C[C@@H](O)CN3CCCC3=O)C2)[nH]n1 ZINC000107324140 415663346 /nfs/dbraw/zinc/66/33/46/415663346.db2.gz HNNWLJWUGUWMPC-UONOGXRCSA-N 1 0 306.410 0.881 50 0 DCAARO CCc1nc(CN(C)[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)no1 ZINC000108087698 415674688 /nfs/dbraw/zinc/67/46/88/415674688.db2.gz HFMVXBUTIGHDGH-VXGBXAGGSA-N 1 0 309.414 0.615 50 0 DCAARO C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000155229954 415995203 /nfs/dbraw/zinc/99/52/03/415995203.db2.gz LZAQCKNHWBQLJV-JTQLQIEISA-N 1 0 316.810 0.934 50 0 DCAARO Cc1cnn(C)c1C[N@@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299768283 416065236 /nfs/dbraw/zinc/06/52/36/416065236.db2.gz SQQHOEMLZRLZSA-IVSAIRAKSA-N 1 0 321.421 0.717 50 0 DCAARO O=C(CN1CCOC1=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000299770601 416066055 /nfs/dbraw/zinc/06/60/55/416066055.db2.gz SZPAOSYPOHXNFW-UHFFFAOYSA-N 1 0 318.377 0.614 50 0 DCAARO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[NH2+]CC2 ZINC000299792589 416069273 /nfs/dbraw/zinc/06/92/73/416069273.db2.gz GGUGYQIBEIEJQT-UHFFFAOYSA-N 1 0 317.368 0.464 50 0 DCAARO Cc1cc(N)n(CC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000299794752 416069732 /nfs/dbraw/zinc/06/97/32/416069732.db2.gz NBSGGIKQAAZMSI-BETUJISGSA-N 1 0 309.414 0.389 50 0 DCAARO [NH3+]Cc1ccc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000237957593 416329147 /nfs/dbraw/zinc/32/91/47/416329147.db2.gz ONNGBHZVCXBVPR-HNNXBMFYSA-N 1 0 303.406 0.940 50 0 DCAARO CNc1cc([C@H]2C[C@@H](Nc3cc(OC)nc(N)n3)C2)[nH+]c(N)n1 ZINC000240517109 416330033 /nfs/dbraw/zinc/33/00/33/416330033.db2.gz NVEJUMHNADVZJB-OCAPTIKFSA-N 1 0 316.369 0.839 50 0 DCAARO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(C(N)=O)cc1 ZINC000408518788 417167717 /nfs/dbraw/zinc/16/77/17/417167717.db2.gz ZZAVQQJJACNUMF-LSDHHAIUSA-N 1 0 317.389 0.721 50 0 DCAARO COC1CC[NH+](C2CN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC000575606688 417539925 /nfs/dbraw/zinc/53/99/25/417539925.db2.gz RNSJFVSBYKEHOB-UHFFFAOYSA-N 1 0 305.378 0.321 50 0 DCAARO COc1cc2c(cc1OC)CN(C(=O)[C@H]1C[NH2+]CCO1)CC2 ZINC000072429803 277393840 /nfs/dbraw/zinc/39/38/40/277393840.db2.gz VLPZXLQJNCUSKA-OAHLLOKOSA-N 1 0 306.362 0.577 50 0 DCAARO NC(=O)CN1CC2(CCC1=O)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC000091587330 279560658 /nfs/dbraw/zinc/56/06/58/279560658.db2.gz YKTSOBHCWOQSFU-CQSZACIVSA-N 1 0 323.437 0.745 50 0 DCAARO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccnn1C ZINC000187482997 288145404 /nfs/dbraw/zinc/14/54/04/288145404.db2.gz RNQKUANPEUPECS-GFCCVEGCSA-N 1 0 309.414 0.407 50 0 DCAARO [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000131135975 295265416 /nfs/dbraw/zinc/26/54/16/295265416.db2.gz OXXYDJAIDZAZFL-NXEZZACHSA-N 1 0 307.316 0.737 50 0 DCAARO O=C(NC[C@@]1(O)CCC[NH2+]C1)c1ccccc1-n1cnnc1 ZINC000534646769 334307038 /nfs/dbraw/zinc/30/70/38/334307038.db2.gz ZDGZWUORMUEIEQ-OAHLLOKOSA-N 1 0 301.350 0.112 50 0 DCAARO COc1cc(C)c([C@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1OC ZINC000237301692 522228463 /nfs/dbraw/zinc/22/84/63/522228463.db2.gz NTDUIFOYAFQSPZ-DMDPSCGWSA-N 1 0 308.378 0.912 50 0 DCAARO COCc1nc2n(n1)C[C@H]([NH2+]Cc1c(Cl)cnn1C)CC2 ZINC000132118998 523230993 /nfs/dbraw/zinc/23/09/93/523230993.db2.gz DAIDFFIQLLPCRK-SECBINFHSA-N 1 0 310.789 0.916 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000124351848 525092209 /nfs/dbraw/zinc/09/22/09/525092209.db2.gz ZJPCCHUDMBDWRK-LLVKDONJSA-N 1 0 302.378 0.999 50 0 DCAARO C[C@]1(c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2)NC(=O)NC1=O ZINC000157849786 525313000 /nfs/dbraw/zinc/31/30/00/525313000.db2.gz ACLFFIBCSBMUDL-BLLLJJGKSA-N 1 0 316.361 0.305 50 0 DCAARO [NH3+][C@H]1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000132421510 527410019 /nfs/dbraw/zinc/41/00/19/527410019.db2.gz QGSHTQMMKNABMB-AWEZNQCLSA-N 1 0 322.430 0.899 50 0 DCAARO O=C(c1cccnc1)N1CCC([NH2+][C@@H]2CCOC[C@H]2O)CC1 ZINC000218794497 545940653 /nfs/dbraw/zinc/94/06/53/545940653.db2.gz AURCBRSCNSKYCJ-HUUCEWRRSA-N 1 0 305.378 0.426 50 0 DCAARO CC(C)N(C)S(=O)(=O)NCCC[N@@H+]1CCC[C@H](CO)C1 ZINC000670437069 547090444 /nfs/dbraw/zinc/09/04/44/547090444.db2.gz HFRSAJOFRAWMDL-ZDUSSCGKSA-N 1 0 307.460 0.255 50 0 DCAARO CC[NH+]1CCN(CC(=O)N2CCC(c3nnc[nH]3)CC2)CC1 ZINC000670459208 547098110 /nfs/dbraw/zinc/09/81/10/547098110.db2.gz QSJQIFVBAIVXDK-UHFFFAOYSA-N 1 0 306.414 0.148 50 0 DCAARO Cc1nccn1CCC[N@H+]1CCc2c(c(C(N)=O)nn2C)C1 ZINC000252480658 660648040 /nfs/dbraw/zinc/64/80/40/660648040.db2.gz CBWQGKHZXCDZLA-UHFFFAOYSA-N 1 0 302.382 0.472 50 0 DCAARO CC[C@H](C)[C@@H](C[NH+](C)C)NS(=O)(=O)c1cn(C)c(C)n1 ZINC000888095558 661163216 /nfs/dbraw/zinc/16/32/16/661163216.db2.gz NGWHSZUGELACBL-CMPLNLGQSA-N 1 0 302.444 0.983 50 0 DCAARO COC[C@]1(C(=O)N2CCN(Cc3cccnc3)CC2)CC[NH2+]C1 ZINC000261847806 658427691 /nfs/dbraw/zinc/42/76/91/658427691.db2.gz JELCVHJAEBKSBT-KRWDZBQOSA-N 1 0 318.421 0.352 50 0 DCAARO CCc1noc(CN2CCC(CNC(=O)[C@H]3CCOC3)CC2)n1 ZINC000952970134 685599103 /nfs/dbraw/zinc/59/91/03/685599103.db2.gz LHHVHALPJZGPMK-ZDUSSCGKSA-N 1 0 322.409 0.997 50 0 DCAARO Cc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)c(C)c1 ZINC000014742070 685048893 /nfs/dbraw/zinc/04/88/93/685048893.db2.gz YALMOZHXDWFART-SNPRPXQTSA-N 1 0 301.390 0.881 50 0 DCAARO CS(=O)(=O)NC1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000077457717 685080070 /nfs/dbraw/zinc/08/00/70/685080070.db2.gz BKSRWAWATAWGFD-UHFFFAOYSA-N 1 0 310.379 0.736 50 0 DCAARO C[C@H](C1CCN(C(=O)CCn2cnnn2)CC1)[NH+]1CCOCC1 ZINC000077323462 685080496 /nfs/dbraw/zinc/08/04/96/685080496.db2.gz ZITYFSVIVUCNID-CYBMUJFWSA-N 1 0 322.413 0.023 50 0 DCAARO COc1cc(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)nc(N)n1 ZINC000095531596 685111878 /nfs/dbraw/zinc/11/18/78/685111878.db2.gz HUIPANCJLQAZPE-LBPRGKRZSA-N 1 0 307.398 0.493 50 0 DCAARO CC(C)(C)[C@H](C[NH+]1CCCC1)NC(=O)c1cnc(C(N)=O)cn1 ZINC001772702978 1157841964 /nfs/dbraw/zinc/84/19/64/1157841964.db2.gz YKJSZMSXTDWVSL-ZDUSSCGKSA-N 1 0 319.409 0.816 50 0 DCAARO Cc1nccn1CCC(=O)N1CC[C@@]2(CO)CCC[N@@H+](C)[C@@H]2C1 ZINC001704302702 1179966377 /nfs/dbraw/zinc/96/63/77/1179966377.db2.gz CAWWDVBWCKPMBF-NVXWUHKLSA-N 1 0 320.437 0.887 50 0 DCAARO C[NH+]1CCN(c2ccc(-c3n[nH]c(CC(N)=O)n3)cc2)CC1 ZINC000823792778 758275179 /nfs/dbraw/zinc/27/51/79/758275179.db2.gz USFPSHLRMSOJCI-UHFFFAOYSA-N 1 0 300.366 0.251 50 0 DCAARO COC[C@H]1CCCN1S(=O)(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000824370938 758770367 /nfs/dbraw/zinc/77/03/67/758770367.db2.gz DSVZOEKMBQBQKM-CQSZACIVSA-N 1 0 319.471 0.758 50 0 DCAARO COCC1CCN(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1 ZINC000824372046 758771775 /nfs/dbraw/zinc/77/17/75/758771775.db2.gz CWVUUZRVINZIHB-ZIAGYGMSSA-N 1 0 319.471 0.662 50 0 DCAARO O=S(=O)(N1CCCC1)N1CCC[N@@H+]([C@@H]2CCOC2)CC1 ZINC000828388490 759002012 /nfs/dbraw/zinc/00/20/12/759002012.db2.gz GPJISRDFLJPCQI-CYBMUJFWSA-N 1 0 303.428 0.124 50 0 DCAARO C[NH+](C)CC(=O)N1CC(c2nc(CCOCC3CC3)no2)C1 ZINC000581809180 760254819 /nfs/dbraw/zinc/25/48/19/760254819.db2.gz HJDIKAYJDXAVKT-UHFFFAOYSA-N 1 0 308.382 0.526 50 0 DCAARO C[NH+](C)C1(C(=O)NC[C@@H](O)C(=O)OCc2ccccc2)CC1 ZINC000585088419 766276238 /nfs/dbraw/zinc/27/62/38/766276238.db2.gz YWZRBVUMQDTNBS-CYBMUJFWSA-N 1 0 306.362 0.301 50 0 DCAARO C[C@@H](COCC(=O)NC1(CO)CCSCC1)[NH+]1CCCC1 ZINC000585121308 766286800 /nfs/dbraw/zinc/28/68/00/766286800.db2.gz LMZSXERCKMIITR-ZDUSSCGKSA-N 1 0 316.467 0.862 50 0 DCAARO O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000952848781 768911255 /nfs/dbraw/zinc/91/12/55/768911255.db2.gz JQTYHVZCROTZMZ-UWVGGRQHSA-N 1 0 319.327 0.608 50 0 DCAARO COCC[N@@H+]1CC[C@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC001529133766 1014502623 /nfs/dbraw/zinc/50/26/23/1014502623.db2.gz GOAKOVKEFXCBHD-SNVBAGLBSA-N 1 0 305.386 0.326 50 0 DCAARO Cc1cccc(C[N@@H+]2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1 ZINC001529151179 1014506394 /nfs/dbraw/zinc/50/63/94/1014506394.db2.gz HMPBABDZYLNPNH-GJZGRUSLSA-N 1 0 312.435 0.679 50 0 DCAARO CC(=O)NCC[C@@H]1CCCCN1C(=O)C1(O)CC[NH+](C)CC1 ZINC001506418005 1017263141 /nfs/dbraw/zinc/26/31/41/1017263141.db2.gz NINIIWLPOXEICB-AWEZNQCLSA-N 1 0 311.426 0.350 50 0 DCAARO Cn1nc2c(c1NC(=O)CN1CCC[N@H+](C)CC1)CSC2 ZINC001506420090 1017266349 /nfs/dbraw/zinc/26/63/49/1017266349.db2.gz TYCGKGXIJWAAOR-UHFFFAOYSA-N 1 0 309.439 0.743 50 0 DCAARO Cn1ncc2c1nc(N1CCC3(CC[N@H+](C)C3)CC1)nc2N ZINC001506422075 1017265430 /nfs/dbraw/zinc/26/54/30/1017265430.db2.gz OITZWFIDAFPMEZ-UHFFFAOYSA-N 1 0 301.398 0.868 50 0 DCAARO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCO[C@H](C)C2)CC1 ZINC000074659038 185006382 /nfs/dbraw/zinc/00/63/82/185006382.db2.gz DWMCVOVIDGSMER-HUUCEWRRSA-N 1 0 312.458 0.690 50 0 DCAARO O=C(CN1C(=O)COc2cccnc21)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000095498017 185374409 /nfs/dbraw/zinc/37/44/09/185374409.db2.gz RNVTXXLGJQNJQG-NWDGAFQWSA-N 1 0 316.361 0.017 50 0 DCAARO COc1ccc(OC[C@H](O)C[NH+](C)C)c(CN2CC(O)C2)c1 ZINC000095517751 185376898 /nfs/dbraw/zinc/37/68/98/185376898.db2.gz HVPPSPHGDRSCRY-CQSZACIVSA-N 1 0 310.394 0.173 50 0 DCAARO CC[N@H+](CCNC(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1 ZINC000089969201 185272418 /nfs/dbraw/zinc/27/24/18/185272418.db2.gz XKJGKIZXYZWEBH-UHFFFAOYSA-N 1 0 321.425 0.372 50 0 DCAARO CS(=O)(=O)c1cnn2cc(CN3CCCC[C@@H]([NH3+])C3)cnc12 ZINC000082127522 192359034 /nfs/dbraw/zinc/35/90/34/192359034.db2.gz WZWBRYRALCIUSB-GFCCVEGCSA-N 1 0 323.422 0.446 50 0 DCAARO O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000082128496 192359169 /nfs/dbraw/zinc/35/91/69/192359169.db2.gz QABVWIAFTYFEML-RYUDHWBXSA-N 1 0 314.382 0.667 50 0 DCAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000328596375 530027118 /nfs/dbraw/zinc/02/71/18/530027118.db2.gz LDECDEMSOLUYNY-LVDDQXARSA-N 1 0 323.418 0.415 50 0 DCAARO CCOCC[N@@H+]1CCN(CCCS(=O)(=O)N(C)C)C[C@@H]1C ZINC000069973160 190845160 /nfs/dbraw/zinc/84/51/60/190845160.db2.gz QQFJLWGKNKUBNW-AWEZNQCLSA-N 1 0 321.487 0.311 50 0 DCAARO COCCCN(C(=O)c1ccc(=O)[nH]c1)C1CC[NH+](C)CC1 ZINC000072144627 191050453 /nfs/dbraw/zinc/05/04/53/191050453.db2.gz QICASRQUHJLVIQ-UHFFFAOYSA-N 1 0 307.394 0.948 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](Cn2cnc3cn(C)nc3c2=O)C1 ZINC000072154608 191059255 /nfs/dbraw/zinc/05/92/55/191059255.db2.gz NVCCXXRYTIUNGF-GFCCVEGCSA-N 1 0 305.382 0.488 50 0 DCAARO O=C(c1ccc2c(c1)CCO2)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072158152 191061383 /nfs/dbraw/zinc/06/13/83/191061383.db2.gz IIDCNHMJSJMMIF-QGZVFWFLSA-N 1 0 318.373 0.453 50 0 DCAARO COc1cc(CC(=O)NC[C@]2(O)CC[NH2+]C2)cc(OC)c1OC ZINC000072156972 191061587 /nfs/dbraw/zinc/06/15/87/191061587.db2.gz SCGXWBDMKMBYQG-INIZCTEOSA-N 1 0 324.377 0.096 50 0 DCAARO CN(CC(=O)N1CCC[C@@](O)(CO)CC1)Cc1ccccc1F ZINC000072167183 191066398 /nfs/dbraw/zinc/06/63/98/191066398.db2.gz SSNNUDULPMKSCF-KRWDZBQOSA-N 1 0 324.396 0.993 50 0 DCAARO Cc1nn(CCC(=O)NC[C@]2(O)CCC[NH2+]CC2)c(C)c1C ZINC000072166840 191066541 /nfs/dbraw/zinc/06/65/41/191066541.db2.gz KWSPYEWPCJQLIC-INIZCTEOSA-N 1 0 308.426 0.819 50 0 DCAARO Cc1c(Cl)c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)nn1C ZINC000072169439 191067972 /nfs/dbraw/zinc/06/79/72/191067972.db2.gz LTCYRJBXQDJJSJ-CYBMUJFWSA-N 1 0 300.790 0.521 50 0 DCAARO Cc1cnn(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000072253133 191087129 /nfs/dbraw/zinc/08/71/29/191087129.db2.gz REJSMEJVEMDTBC-OAHLLOKOSA-N 1 0 323.418 0.918 50 0 DCAARO CC[C@H]1CN(Cc2nc(CCOC)no2)CC[N@@H+]1C[C@@H](C)O ZINC000072279822 191102107 /nfs/dbraw/zinc/10/21/07/191102107.db2.gz WGAMWMKEWXIOPE-OLZOCXBDSA-N 1 0 312.414 0.536 50 0 DCAARO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237483319 186296092 /nfs/dbraw/zinc/29/60/92/186296092.db2.gz BLWLVBYDOOKRBD-CMPLNLGQSA-N 1 0 314.382 0.795 50 0 DCAARO COc1ccc(NC(=O)CCN2CC[NH+](CCO)CC2)cn1 ZINC000072405481 191152033 /nfs/dbraw/zinc/15/20/33/191152033.db2.gz SVJSPEHVQQOUKJ-UHFFFAOYSA-N 1 0 308.382 0.029 50 0 DCAARO CCn1c(NCC[NH+](CC)CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000000079001 180686388 /nfs/dbraw/zinc/68/63/88/180686388.db2.gz DJRSYVWEFRXRFR-UHFFFAOYSA-N 1 0 322.413 0.207 50 0 DCAARO Cc1ncc2c(c1CNC(=O)CCCn1cncn1)CC[NH2+]C2 ZINC000072475483 191177359 /nfs/dbraw/zinc/17/73/59/191177359.db2.gz YNLGGMDHIAOXSG-UHFFFAOYSA-N 1 0 314.393 0.724 50 0 DCAARO CCOC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)c1ccccc1 ZINC000001529252 180871578 /nfs/dbraw/zinc/87/15/78/180871578.db2.gz YQDHCCVUYCIGSW-GFCCVEGCSA-N 1 0 306.366 0.611 50 0 biogenic,in-vitro DCAARO CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1OCC ZINC000236926719 202075759 /nfs/dbraw/zinc/07/57/59/202075759.db2.gz KUFLXPZDLNWZLC-KBPBESRZSA-N 1 0 322.405 0.866 50 0 DCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000179114134 198985916 /nfs/dbraw/zinc/98/59/16/198985916.db2.gz MRVHTZAPQOLISL-LLVKDONJSA-N 1 0 316.361 0.172 50 0 DCAARO Cn1c(CCNC(=O)[C@@H]2C[NH2+]CCO2)nc2cc(F)ccc21 ZINC000237735635 202342893 /nfs/dbraw/zinc/34/28/93/202342893.db2.gz PDNBZJBRYNRBAO-ZDUSSCGKSA-N 1 0 306.341 0.360 50 0 DCAARO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2=NCCS2)CC1=O ZINC000195530212 201397711 /nfs/dbraw/zinc/39/77/11/201397711.db2.gz RUEJCOBRXMUGCQ-RYUDHWBXSA-N 1 0 324.450 0.538 50 0 DCAARO CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091427252 193053830 /nfs/dbraw/zinc/05/38/30/193053830.db2.gz AIXLGNROVXUQTH-DZGCQCFKSA-N 1 0 324.450 0.784 50 0 DCAARO C[NH+](C)CCO[C@H]1C[C@@H](O)C12CCN(c1cnccn1)CC2 ZINC000091587181 193076182 /nfs/dbraw/zinc/07/61/82/193076182.db2.gz GTXDOQLEGAPOGV-KGLIPLIRSA-N 1 0 306.410 0.775 50 0 DCAARO COc1cc(OC)cc(C(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1 ZINC000091650129 193085060 /nfs/dbraw/zinc/08/50/60/193085060.db2.gz SUILJXRJDKWRQJ-ZIAGYGMSSA-N 1 0 322.405 0.946 50 0 DCAARO C[NH+](C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1c1ccccc1 ZINC000091657338 193085569 /nfs/dbraw/zinc/08/55/69/193085569.db2.gz NHVQJNFJDXXXTH-KGLIPLIRSA-N 1 0 301.390 0.808 50 0 DCAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](CCO)CC1 ZINC000091665223 193088535 /nfs/dbraw/zinc/08/85/35/193088535.db2.gz QLPUWWOJMAUEJL-UHFFFAOYSA-N 1 0 304.398 0.715 50 0 DCAARO O=C(N1CCOCC1)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091755014 193102376 /nfs/dbraw/zinc/10/23/76/193102376.db2.gz NJRGJCKATIITGV-CABCVRRESA-N 1 0 311.426 0.465 50 0 DCAARO CN(CC(=O)N1C[C@H](CO)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000091818463 193112224 /nfs/dbraw/zinc/11/22/24/193112224.db2.gz LSTDEDLONYELPA-HUUCEWRRSA-N 1 0 305.422 0.751 50 0 DCAARO C[NH+](C)Cc1cccc(C(=O)N2CC[NH2+]C[C@H](C(=O)[O-])C2)c1 ZINC000097527313 193730871 /nfs/dbraw/zinc/73/08/71/193730871.db2.gz GPOYWODAURMTFX-AWEZNQCLSA-N 1 0 305.378 0.494 50 0 DCAARO O=C1NC(=O)[C@@]2(N1)C1CN3CC2(c2ccccc2)C[N@H+](C1)CC3 ZINC000019866125 182157778 /nfs/dbraw/zinc/15/77/78/182157778.db2.gz NDEYEWNCRURSJL-IMRCBTMISA-N 1 0 312.373 0.604 50 0 DCAARO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(c2ccccc2Cl)CC1 ZINC000020434639 182217247 /nfs/dbraw/zinc/21/72/47/182217247.db2.gz NOJBWDBMIGUMBD-WCQYABFASA-N 1 0 309.797 0.711 50 0 DCAARO C[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)[NH+]1CCCC1 ZINC000042508195 183277754 /nfs/dbraw/zinc/27/77/54/183277754.db2.gz IIBVJZCMEBVVQU-LBPRGKRZSA-N 1 0 303.366 0.097 50 0 DCAARO C[C@@H](CNC(=O)Cn1ncc2ccccc2c1=O)[NH+]1CCCC1 ZINC000042507433 183277852 /nfs/dbraw/zinc/27/78/52/183277852.db2.gz NCZKYIAITKXVGH-ZDUSSCGKSA-N 1 0 314.389 0.997 50 0 DCAARO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000058123484 184077441 /nfs/dbraw/zinc/07/74/41/184077441.db2.gz IYACIWIUSQADGQ-MNOVXSKESA-N 1 0 307.350 0.650 50 0 DCAARO Cc1nn(CCO)cc1CCC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058331916 184106807 /nfs/dbraw/zinc/10/68/07/184106807.db2.gz BTHOCCRHWFDHAV-CQSZACIVSA-N 1 0 318.425 0.644 50 0 DCAARO COc1c(C[NH2+]CCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)nn1C ZINC000058404232 184113858 /nfs/dbraw/zinc/11/38/58/184113858.db2.gz VLUCZIBADXHFDB-VXGBXAGGSA-N 1 0 324.425 0.853 50 0 DCAARO CCS(=O)(=O)N1CCC(C(=O)NCCC[NH+](C)C)CC1 ZINC000061475390 184171322 /nfs/dbraw/zinc/17/13/22/184171322.db2.gz WQOQSFVRWMVCGR-UHFFFAOYSA-N 1 0 305.444 0.116 50 0 DCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc2c1OCC2 ZINC000067675124 184477657 /nfs/dbraw/zinc/47/76/57/184477657.db2.gz KGTBQQPBTIQREU-AAEUAGOBSA-N 1 0 303.362 0.299 50 0 DCAARO Cn1cnc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1Cl ZINC000222576363 257239452 /nfs/dbraw/zinc/23/94/52/257239452.db2.gz BLQLLSFHFUGJSY-ZJUUUORDSA-N 1 0 318.830 0.979 50 0 DCAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCc1c[nH]cn1 ZINC000426723914 257243817 /nfs/dbraw/zinc/24/38/17/257243817.db2.gz PJKWQSLKMBNSPA-GFCCVEGCSA-N 1 0 302.382 0.432 50 0 DCAARO [NH3+]CCOc1ccc(CC(=O)N2CCC[C@@](O)(CO)CC2)cc1 ZINC000426613660 257245392 /nfs/dbraw/zinc/24/53/92/257245392.db2.gz ROWSUXJURVEPGL-KRWDZBQOSA-N 1 0 322.405 0.303 50 0 DCAARO Cc1[nH]nc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c1Cl ZINC000426489531 257249113 /nfs/dbraw/zinc/24/91/13/257249113.db2.gz JUSFSSKLKNAFOF-SNVBAGLBSA-N 1 0 300.790 0.948 50 0 DCAARO CN1CCN(C(=O)c2cccc(OCC[NH3+])c2)C[C@@H]1CCO ZINC000426412711 257251267 /nfs/dbraw/zinc/25/12/67/257251267.db2.gz NTKLAFMHXRSQON-AWEZNQCLSA-N 1 0 307.394 0.163 50 0 DCAARO NC(=O)C1CC[NH+](CC(=O)NC2Cc3ccccc3C2)CC1 ZINC000010494361 395686096 /nfs/dbraw/zinc/68/60/96/395686096.db2.gz DSTGWCGWDWDJHN-UHFFFAOYSA-N 1 0 301.390 0.467 50 0 DCAARO C[N@@H+]1CCCN(C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000089375384 395710605 /nfs/dbraw/zinc/71/06/05/395710605.db2.gz LSQABKJYXXQXRW-UHFFFAOYSA-N 1 0 315.381 0.509 50 0 DCAARO COCC[NH+]1CCC(CNC(=O)[C@H](NC(N)=O)C(C)C)CC1 ZINC000089791058 395715378 /nfs/dbraw/zinc/71/53/78/395715378.db2.gz MQBASPVDVMARID-CYBMUJFWSA-N 1 0 314.430 0.154 50 0 DCAARO CC(C)N1C(=O)N[C@@]2(CCN(CC[NH+]3CCCCC3)C2)C1=O ZINC000089869844 395715953 /nfs/dbraw/zinc/71/59/53/395715953.db2.gz LTBFUYSZOINABW-MRXNPFEDSA-N 1 0 308.426 0.877 50 0 DCAARO C[N@H+]1CC=C(c2noc(CCC(=O)N3CCOCC3)n2)CC1 ZINC000033069134 395716181 /nfs/dbraw/zinc/71/61/81/395716181.db2.gz LXEFDUHFRYUAAV-UHFFFAOYSA-N 1 0 306.366 0.580 50 0 DCAARO CC(=O)N1CCCN([C@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C)CC1 ZINC000089937263 395716913 /nfs/dbraw/zinc/71/69/13/395716913.db2.gz LETWVOXKHYUYSR-RDJZCZTQSA-N 1 0 319.453 0.758 50 0 DCAARO CC(=O)N1CCCN([C@H]2C[N@@H+](CCn3cccn3)C[C@H]2C)CC1 ZINC000089937261 395716954 /nfs/dbraw/zinc/71/69/54/395716954.db2.gz LETWVOXKHYUYSR-WBVHZDCISA-N 1 0 319.453 0.758 50 0 DCAARO CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000037811541 395729095 /nfs/dbraw/zinc/72/90/95/395729095.db2.gz MZIMITCXMMJJKL-CHWSQXEVSA-N 1 0 311.407 0.227 50 0 DCAARO Cn1cnc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1Cl ZINC000037990618 395730588 /nfs/dbraw/zinc/73/05/88/395730588.db2.gz BLQLLSFHFUGJSY-NXEZZACHSA-N 1 0 318.830 0.979 50 0 DCAARO O=S(=O)(c1ccccc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000096099699 395744338 /nfs/dbraw/zinc/74/43/38/395744338.db2.gz XCDKHZZZWWPCJE-CQSZACIVSA-N 1 0 310.419 0.906 50 0 DCAARO COC[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccco1 ZINC000096446131 395753191 /nfs/dbraw/zinc/75/31/91/395753191.db2.gz RAIYGHWSSBTNFB-OLZOCXBDSA-N 1 0 310.398 0.512 50 0 DCAARO CC(C)(C[NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1)S(C)(=O)=O ZINC000096494366 395754456 /nfs/dbraw/zinc/75/44/56/395754456.db2.gz XEXDABBGJNIBIV-MRVPVSSYSA-N 1 0 316.345 0.562 50 0 DCAARO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)N1CCOCC1 ZINC000097200508 395755743 /nfs/dbraw/zinc/75/57/43/395755743.db2.gz BJADGBSGVRKENR-CQSZACIVSA-N 1 0 304.394 0.674 50 0 DCAARO C[NH+](C)[C@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000097653527 395759868 /nfs/dbraw/zinc/75/98/68/395759868.db2.gz KYYAOIDCYPMLDX-QWHCGFSZSA-N 1 0 318.377 0.394 50 0 DCAARO C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)N1CCOC[C@@H]1C ZINC000195570424 395832281 /nfs/dbraw/zinc/83/22/81/395832281.db2.gz HNWKSRUFXALGBP-QLFBSQMISA-N 1 0 312.458 0.689 50 0 DCAARO C[C@H](CCn1cccn1)NC(=O)CN(C)C1CC[NH+](C)CC1 ZINC000219164486 395844707 /nfs/dbraw/zinc/84/47/07/395844707.db2.gz JJJAQZIOVDUUIL-CQSZACIVSA-N 1 0 307.442 0.804 50 0 DCAARO C[C@@H](CCC(=O)N(C)Cc1cnn(C)c1)[NH+]1CCN(C)CC1 ZINC000221441457 395851139 /nfs/dbraw/zinc/85/11/39/395851139.db2.gz SNPLKBPITGJMEM-AWEZNQCLSA-N 1 0 307.442 0.795 50 0 DCAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)c1cncc(F)c1 ZINC000223327666 395855288 /nfs/dbraw/zinc/85/52/88/395855288.db2.gz OMKRVDHEPDHPBK-ZIAGYGMSSA-N 1 0 311.357 0.686 50 0 DCAARO Cc1nnc(SCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)s1 ZINC000055073118 395910698 /nfs/dbraw/zinc/91/06/98/395910698.db2.gz DEYBKIMAJZNHTR-BDAKNGLRSA-N 1 0 302.425 0.168 50 0 DCAARO CCOC(=O)N1CCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)CC1 ZINC000244866614 395926252 /nfs/dbraw/zinc/92/62/52/395926252.db2.gz VZDXRSYVYCKANP-HAQNSBGRSA-N 1 0 322.413 0.294 50 0 DCAARO Cc1cc(C(=O)N2CCN(c3cc(C)[nH+]c(N)n3)CC2)on1 ZINC000052451029 395863497 /nfs/dbraw/zinc/86/34/97/395863497.db2.gz RYFUVHDKGYRNGX-UHFFFAOYSA-N 1 0 302.338 0.626 50 0 DCAARO CC1CC[NH+](C[C@H](O)CN2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC000229516339 395874933 /nfs/dbraw/zinc/87/49/33/395874933.db2.gz CLVUZJXDPNXVFA-DLBZAZTESA-N 1 0 322.453 0.677 50 0 DCAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000248097957 395982133 /nfs/dbraw/zinc/98/21/33/395982133.db2.gz DHQCJGRQXRNXMQ-JHJVBQTASA-N 1 0 300.424 0.506 50 0 DCAARO CCn1c2c(C(=O)N(C)C)cnn2c(=O)c2c1CC[N@H+](C)C2 ZINC000064836017 395989693 /nfs/dbraw/zinc/98/96/93/395989693.db2.gz JOFKVPPFDVEHCP-UHFFFAOYSA-N 1 0 303.366 0.206 50 0 DCAARO COC(=O)c1cnc(N2CCC(C[NH+]3CCOCC3)CC2)nc1 ZINC000253415243 396028067 /nfs/dbraw/zinc/02/80/67/396028067.db2.gz OJWOHCJWKXQIRH-UHFFFAOYSA-N 1 0 320.393 0.812 50 0 DCAARO COCC[C@@H]1COCCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000253429367 396028515 /nfs/dbraw/zinc/02/85/15/396028515.db2.gz SBGCIYAKLDSGSM-CHWSQXEVSA-N 1 0 302.440 0.688 50 0 DCAARO CCn1c(=O)n(CCCCC(=O)OC)nc1[C@@H]1CCC[NH2+]C1 ZINC000067691110 396030817 /nfs/dbraw/zinc/03/08/17/396030817.db2.gz DGSOLGCPNDBNFX-GFCCVEGCSA-N 1 0 310.398 0.875 50 0 DCAARO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000067863804 396037168 /nfs/dbraw/zinc/03/71/68/396037168.db2.gz XVIQIBLDEVOMRI-MEDUHNTESA-N 1 0 320.393 0.060 50 0 DCAARO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2nnnn2C2CC2)CC1 ZINC000069658996 396085817 /nfs/dbraw/zinc/08/58/17/396085817.db2.gz XNLYFDYRCDQQBM-GFCCVEGCSA-N 1 0 308.430 0.533 50 0 DCAARO CC[NH+](CC)[C@@H](C)CNC(=O)COc1ccc(CC(N)=O)cc1 ZINC000069743270 396089759 /nfs/dbraw/zinc/08/97/59/396089759.db2.gz OTOXWTLOBNWFEL-ZDUSSCGKSA-N 1 0 321.421 0.940 50 0 DCAARO CCCCN(CC(N)=O)CC(C)C[N@H+](CCCC)CC(N)=O ZINC000069815720 396090818 /nfs/dbraw/zinc/09/08/18/396090818.db2.gz UAXLAPRRFSMRMP-UHFFFAOYSA-N 1 0 314.474 0.797 50 0 DCAARO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)N2CCNC2=O)n1 ZINC000069897953 396093816 /nfs/dbraw/zinc/09/38/16/396093816.db2.gz HGNWVPSYWNOJMS-AWEZNQCLSA-N 1 0 319.409 0.906 50 0 DCAARO O=C1CCCN1CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069899725 396094804 /nfs/dbraw/zinc/09/48/04/396094804.db2.gz HURINRUXPIJWFQ-QGZVFWFLSA-N 1 0 317.433 0.960 50 0 DCAARO C[C@@H]1C[N@@H+](CC2CCN(CCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000069951751 396096545 /nfs/dbraw/zinc/09/65/45/396096545.db2.gz UDJOUDSOYQXRQO-BETUJISGSA-N 1 0 319.471 0.096 50 0 DCAARO NC(=O)COc1cccc(C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000071871758 396120367 /nfs/dbraw/zinc/12/03/67/396120367.db2.gz OCEDIYKFGNHQBO-LBPRGKRZSA-N 1 0 301.350 0.247 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(c2ccccn2)CC1 ZINC000071874806 396120390 /nfs/dbraw/zinc/12/03/90/396120390.db2.gz JULSMHNYYGPZJM-CQSZACIVSA-N 1 0 304.394 0.187 50 0 DCAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)n1 ZINC000071876998 396121156 /nfs/dbraw/zinc/12/11/56/396121156.db2.gz GTBRSHRDAPJTIE-IAGOWNOFSA-N 1 0 322.453 0.657 50 0 DCAARO CS(=O)(=O)NCC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000071907834 396124610 /nfs/dbraw/zinc/12/46/10/396124610.db2.gz HVGQZWAXPYPYFO-HNNXBMFYSA-N 1 0 312.435 0.908 50 0 DCAARO O=C(CCCn1cccn1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269013 396127860 /nfs/dbraw/zinc/12/78/60/396127860.db2.gz OFILMCOPBRWIQA-GJZGRUSLSA-N 1 0 306.410 0.721 50 0 DCAARO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C)C(=O)N1CCCC1 ZINC000072300478 396130904 /nfs/dbraw/zinc/13/09/04/396130904.db2.gz AIXSNROCOPGPJS-AGIUHOORSA-N 1 0 317.455 0.257 50 0 DCAARO C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000069374203 396076790 /nfs/dbraw/zinc/07/67/90/396076790.db2.gz SBOJXUHRGXPQFQ-IUODEOHRSA-N 1 0 323.418 0.998 50 0 DCAARO C[NH+]1CCN(CCNC(=O)[C@@H]2CSc3ccccc3O2)CC1 ZINC000069513264 396081355 /nfs/dbraw/zinc/08/13/55/396081355.db2.gz UWMWFYDZLAOSRO-AWEZNQCLSA-N 1 0 321.446 0.903 50 0 DCAARO CC[N@H+](CCNC(=O)Cc1ccc(-n2cnnn2)cc1)C1CC1 ZINC000069515244 396081453 /nfs/dbraw/zinc/08/14/53/396081453.db2.gz USJIQCHGIBDVJU-UHFFFAOYSA-N 1 0 314.393 0.805 50 0 DCAARO NC(=O)COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)c1 ZINC000069620757 396084516 /nfs/dbraw/zinc/08/45/16/396084516.db2.gz PKGOORCPNZAVGQ-CQSZACIVSA-N 1 0 315.377 0.807 50 0 DCAARO Cc1nc(C)n(C[C@H]2CN(c3cc(C)[nH+]c(N)n3)CCO2)n1 ZINC000075128640 396176919 /nfs/dbraw/zinc/17/69/19/396176919.db2.gz HJILADBQMUYCBZ-GFCCVEGCSA-N 1 0 303.370 0.481 50 0 DCAARO [NH3+]CCn1cc(C(=O)N2CCC(Oc3ccncc3)CC2)nn1 ZINC000077321091 396218400 /nfs/dbraw/zinc/21/84/00/396218400.db2.gz CEQVZEAELXXNFG-UHFFFAOYSA-N 1 0 316.365 0.315 50 0 DCAARO Cc1cc(N2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)cc[nH+]1 ZINC000077354824 396219262 /nfs/dbraw/zinc/21/92/62/396219262.db2.gz OCVBNYZBIRNBFA-CQSZACIVSA-N 1 0 317.393 0.452 50 0 DCAARO O[C@@]1(C[NH2+]CCCN2CCCc3ccccc32)CNCCOC1 ZINC000077341879 396219395 /nfs/dbraw/zinc/21/93/95/396219395.db2.gz OIWALQFUPRGZMW-SFHVURJKSA-N 1 0 319.449 0.770 50 0 DCAARO O=C(c1ccccn1)N1CCC([N@@H+]2CCOC[C@@H](O)C2)CC1 ZINC000077340683 396219599 /nfs/dbraw/zinc/21/95/99/396219599.db2.gz QGTPLZFBCCSTTE-AWEZNQCLSA-N 1 0 305.378 0.379 50 0 DCAARO CN(Cc1nc(-c2ccccc2)no1)C[C@@]1(O)C[NH2+]CCOC1 ZINC000077439690 396221913 /nfs/dbraw/zinc/22/19/13/396221913.db2.gz ZQEPRTDKPREPKY-INIZCTEOSA-N 1 0 318.377 0.519 50 0 DCAARO CC[N@H+](C)CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000077440239 396221929 /nfs/dbraw/zinc/22/19/29/396221929.db2.gz AJCKUMVOVOHQQR-UHFFFAOYSA-N 1 0 321.425 0.065 50 0 DCAARO CC[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1cn2cccnc2n1 ZINC000077469963 396223320 /nfs/dbraw/zinc/22/33/20/396223320.db2.gz MBVHPGPZESHRQY-SNVBAGLBSA-N 1 0 314.353 0.161 50 0 DCAARO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cnn1C ZINC000077489939 396224227 /nfs/dbraw/zinc/22/42/27/396224227.db2.gz SWZLSQCAFCXBHE-KRWDZBQOSA-N 1 0 320.437 0.925 50 0 DCAARO CC(C)C(=O)NCC(=O)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000584890798 396633979 /nfs/dbraw/zinc/63/39/79/396633979.db2.gz FVYMJCNNMTYSST-CQSZACIVSA-N 1 0 311.426 0.064 50 0 DCAARO COc1cc(NCCC[NH+]2CCC(C(N)=O)CC2)nc(OC)n1 ZINC000584893874 396634829 /nfs/dbraw/zinc/63/48/29/396634829.db2.gz JKKNAITVGQIFFK-UHFFFAOYSA-N 1 0 323.397 0.493 50 0 DCAARO CN1CC[NH+](C[C@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)CC1 ZINC000584896833 396635802 /nfs/dbraw/zinc/63/58/02/396635802.db2.gz ZHGGUSLRXXRSBV-MRXNPFEDSA-N 1 0 319.453 0.828 50 0 DCAARO CCOC(=O)N1CCC([NH2+]CCc2nc(N)cc(=O)[nH]2)CC1 ZINC000584903591 396637176 /nfs/dbraw/zinc/63/71/76/396637176.db2.gz NLHNSYYCNAIYOB-UHFFFAOYSA-N 1 0 309.370 0.517 50 0 DCAARO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C(=O)N1c1ccccc1 ZINC000299750219 396713840 /nfs/dbraw/zinc/71/38/40/396713840.db2.gz MXLNWUSGAIZWBY-CABNGKKXSA-N 1 0 303.362 0.019 50 0 DCAARO O=S(=O)(C[C@@H]1CCCO1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000386785757 397289241 /nfs/dbraw/zinc/28/92/41/397289241.db2.gz KYCGWUFRLMMHRP-SOUVJXGZSA-N 1 0 310.419 0.840 50 0 DCAARO C[C@@H]1CN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)C[C@H](C)[NH2+]1 ZINC000255570085 287125571 /nfs/dbraw/zinc/12/55/71/287125571.db2.gz ZUSBNOLOJANKGA-HXWPRHEXSA-N 1 0 317.389 0.773 50 0 DCAARO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000044869109 415228884 /nfs/dbraw/zinc/22/88/84/415228884.db2.gz VTSPIVOQNFJGBZ-GFCCVEGCSA-N 1 0 319.471 0.505 50 0 DCAARO CC(=O)Nc1nc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cs1 ZINC000071864146 415408543 /nfs/dbraw/zinc/40/85/43/415408543.db2.gz ITXUHLBNHNDTKD-GHMZBOCLSA-N 1 0 312.439 0.988 50 0 DCAARO [NH3+]Cc1cc(NC[C@@H](c2ccccn2)N2CCOCC2)ncn1 ZINC000067675048 415377381 /nfs/dbraw/zinc/37/73/81/415377381.db2.gz CGPTUJBJWWHPAX-HNNXBMFYSA-N 1 0 314.393 0.816 50 0 DCAARO COc1cccc(C[C@@]2(C3CC[NH2+]CC3)NC(=O)NC2=O)c1 ZINC000067650771 415378794 /nfs/dbraw/zinc/37/87/94/415378794.db2.gz XHTUFYMSZXEEPN-INIZCTEOSA-N 1 0 303.362 0.816 50 0 DCAARO Nc1nc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)cs1 ZINC000067679038 415385438 /nfs/dbraw/zinc/38/54/38/415385438.db2.gz HUWXVNTWFRRGJK-VIFPVBQESA-N 1 0 321.410 0.246 50 0 DCAARO C[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCN2c2cccnn2)CCO1 ZINC000075128857 415437841 /nfs/dbraw/zinc/43/78/41/415437841.db2.gz HIQSZBLUQHIAEJ-KBPBESRZSA-N 1 0 319.409 0.282 50 0 DCAARO CC[NH+]1CCN(C[C@@H]2CN(c3ncccc3F)C[C@@H]2CO)CC1 ZINC000095357253 415553979 /nfs/dbraw/zinc/55/39/79/415553979.db2.gz OYCSJKYFIZQUJY-HUUCEWRRSA-N 1 0 322.428 0.903 50 0 DCAARO CC(C)n1nccc1NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000106868109 415653559 /nfs/dbraw/zinc/65/35/59/415653559.db2.gz AAUQDUXGJIUYRA-KBPBESRZSA-N 1 0 323.441 0.789 50 0 DCAARO CSc1ncc(C(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)cn1 ZINC000299755403 416064736 /nfs/dbraw/zinc/06/47/36/416064736.db2.gz BTYIEENNBOXJOA-LLVKDONJSA-N 1 0 310.423 0.633 50 0 DCAARO Cn1cnc(C(=O)NCC[C@@H]2CCC(=O)N2CC[NH+](C)C)c1 ZINC000299765241 416065319 /nfs/dbraw/zinc/06/53/19/416065319.db2.gz KSIFYVZSYPVTBB-LBPRGKRZSA-N 1 0 307.398 0.093 50 0 DCAARO Cc1noc([C@@H]2CCN(C(=O)CC[NH+]3CCN(C)CC3)C2)n1 ZINC000299781961 416067405 /nfs/dbraw/zinc/06/74/05/416067405.db2.gz WZFMBXFKDJZUGV-CYBMUJFWSA-N 1 0 307.398 0.331 50 0 DCAARO CN(c1cccnn1)C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000171628869 416040713 /nfs/dbraw/zinc/04/07/13/416040713.db2.gz MUBBFCFYVHHBPO-HNNXBMFYSA-N 1 0 316.409 0.635 50 0 DCAARO C[C@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@H](C)[NH2+]1 ZINC000179162285 416182223 /nfs/dbraw/zinc/18/22/23/416182223.db2.gz JHPBTOJGOKCZKP-YUMQZZPRSA-N 1 0 314.183 0.960 50 0 DCAARO O=C(c1nc[nH]n1)N1CCN(Cc2cccc3nonc32)CC1 ZINC000215336385 416327138 /nfs/dbraw/zinc/32/71/38/416327138.db2.gz PAINTLJRQNXHGC-UHFFFAOYSA-N 1 0 313.321 0.299 50 0 DCAARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)c1ccc(CO)o1)CC2 ZINC000216069536 416327378 /nfs/dbraw/zinc/32/73/78/416327378.db2.gz PHDHHFSJNDUIHJ-UHFFFAOYSA-N 1 0 321.377 0.198 50 0 DCAARO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000237306341 416328138 /nfs/dbraw/zinc/32/81/38/416328138.db2.gz XJOBYIXJDIOFJB-CHWSQXEVSA-N 1 0 317.455 0.259 50 0 DCAARO C[N@H+](CC(=O)N[C@@H]1CCCCNC1=O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000241135470 416329957 /nfs/dbraw/zinc/32/99/57/416329957.db2.gz JPNYSYGHSKQWEQ-QHSBEEBCSA-N 1 0 323.437 0.517 50 0 DCAARO COCc1nc(NCCN2CCOCC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244716111 416330653 /nfs/dbraw/zinc/33/06/53/416330653.db2.gz LIPKYNODIAXEQV-BETUJISGSA-N 1 0 321.425 0.572 50 0 DCAARO CN(C)c1nc(N)nc(CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC000585116518 416518336 /nfs/dbraw/zinc/51/83/36/416518336.db2.gz ZLHJVGLBKUCOJX-LLVKDONJSA-N 1 0 307.446 0.682 50 0 DCAARO Cc1ccc(F)cc1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647886504 418070659 /nfs/dbraw/zinc/07/06/59/418070659.db2.gz VPIDMGCEVUSLDR-RYUDHWBXSA-N 1 0 302.371 0.430 50 0 DCAARO COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N(C)C ZINC000299751089 229393295 /nfs/dbraw/zinc/39/32/95/229393295.db2.gz PLCUYHBXWUFEPZ-YUTCNCBUSA-N 1 0 307.394 0.137 50 0 DCAARO CCC[C@H]([NH3+])C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000236816818 276284975 /nfs/dbraw/zinc/28/49/75/276284975.db2.gz VKYBDDONJYZLKR-AWEZNQCLSA-N 1 0 310.442 0.271 50 0 DCAARO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@@H](O)[C@@H]3O5 ZINC000006010196 277161453 /nfs/dbraw/zinc/16/14/53/277161453.db2.gz AABLHGPVOULICI-LQPBRMSDSA-N 1 0 303.358 0.537 50 0 world DCAARO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CN4)C[C@H]21 ZINC000077457846 277179238 /nfs/dbraw/zinc/17/92/38/277179238.db2.gz QSATXLOLRMFSKW-SMDDNHRTSA-N 1 0 300.362 0.827 50 0 DCAARO Cc1nccc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000230199254 279164831 /nfs/dbraw/zinc/16/48/31/279164831.db2.gz ULXNRXBSWALTNZ-MRXNPFEDSA-N 1 0 303.410 0.918 50 0 DCAARO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000058415701 279218175 /nfs/dbraw/zinc/21/81/75/279218175.db2.gz YXRZTXLNSHMAJA-SNVBAGLBSA-N 1 0 322.365 0.191 50 0 DCAARO C[C@H](C(=O)NCC(F)(F)F)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247437696 289349684 /nfs/dbraw/zinc/34/96/84/289349684.db2.gz ZLIBFPUUMJCMMN-OUAUKWLOSA-N 1 0 311.348 0.440 50 0 DCAARO [NH3+]Cc1ccc(CNC(=O)[C@H]2CCCCn3nnnc32)cc1 ZINC000097076232 295278272 /nfs/dbraw/zinc/27/82/72/295278272.db2.gz VFNNDIUEZQMFIU-ZDUSSCGKSA-N 1 0 300.366 0.716 50 0 DCAARO COCC[N@@H+]1CC[C@@H](C(=O)NCC2(Cn3cccn3)CC2)C1 ZINC000534582571 334289870 /nfs/dbraw/zinc/28/98/70/334289870.db2.gz UHJVEPZDMLFREH-CQSZACIVSA-N 1 0 306.410 0.748 50 0 DCAARO CCCn1nccc1S(=O)(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC000534648535 334316841 /nfs/dbraw/zinc/31/68/41/334316841.db2.gz VQKIVJSNGYIOCH-LBPRGKRZSA-N 1 0 300.428 0.913 50 0 DCAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC(OCCc2ccccc2)CC1 ZINC000299753459 534599626 /nfs/dbraw/zinc/59/96/26/534599626.db2.gz YHAZLQRRJGTPSD-WBVHZDCISA-N 1 0 318.417 0.960 50 0 DCAARO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000156560948 522273203 /nfs/dbraw/zinc/27/32/03/522273203.db2.gz JCXOUKJELFCZEM-VHSXEESVSA-N 1 0 315.395 0.387 50 0 DCAARO O=C(NCc1cccc(N2CCCC2=O)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000151680952 545818267 /nfs/dbraw/zinc/81/82/67/545818267.db2.gz SXBLCTCVWLIGOK-KGLIPLIRSA-N 1 0 303.362 0.152 50 0 DCAARO CN1C[C@]2(CC[N@@H+](C3CSCCSC3)C2)OCC1=O ZINC000670436140 547088876 /nfs/dbraw/zinc/08/88/76/547088876.db2.gz ARMQEYPIYDKAEP-ZDUSSCGKSA-N 1 0 302.465 0.768 50 0 DCAARO Cn1ncnc1CC[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC000670455245 547098094 /nfs/dbraw/zinc/09/80/94/547098094.db2.gz KWVFRJHTFQMSKI-UHFFFAOYSA-N 1 0 314.393 0.647 50 0 DCAARO COCC[N@@H+]1CC[C@H](CN(C)S(=O)(=O)N2CCCCC2)C1 ZINC000670469548 547100242 /nfs/dbraw/zinc/10/02/42/547100242.db2.gz CPYJGWMVULOYCT-CQSZACIVSA-N 1 0 319.471 0.617 50 0 DCAARO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cnn(C)c1N)C2 ZINC000685942756 548747800 /nfs/dbraw/zinc/74/78/00/548747800.db2.gz VEHAIEBQHGKGBC-JXFSHQFZSA-N 1 0 321.425 0.212 50 0 DCAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000244872739 660602264 /nfs/dbraw/zinc/60/22/64/660602264.db2.gz WDPMDHAFILTFIZ-GFCCVEGCSA-N 1 0 307.398 0.109 50 0 DCAARO [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccn2)nn1 ZINC000888101340 661181115 /nfs/dbraw/zinc/18/11/15/661181115.db2.gz LHAKWYLQYHTBBO-GXTWGEPZSA-N 1 0 314.393 0.773 50 0 DCAARO O=c1ccc(-c2ccccc2)nn1CCNC[C@@]1(O)CC[NH2+]C1 ZINC000072423998 658696046 /nfs/dbraw/zinc/69/60/46/658696046.db2.gz MMCUKJXABFMVKV-QGZVFWFLSA-N 1 0 314.389 0.224 50 0 DCAARO CN(CCc1ccccn1)C(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000426386332 661561966 /nfs/dbraw/zinc/56/19/66/661561966.db2.gz NBFONHGCYVTYEP-OAHLLOKOSA-N 1 0 320.437 0.970 50 0 DCAARO CS(C)(=O)=NS(=O)(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000864094562 667214370 /nfs/dbraw/zinc/21/43/70/667214370.db2.gz YDIMOQPKQFHQQQ-GFCCVEGCSA-N 1 0 319.452 0.509 50 0 DCAARO CCCn1ncnc1[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952967225 685599124 /nfs/dbraw/zinc/59/91/24/685599124.db2.gz IWXOYZWLTPVCNG-NEPJUHHUSA-N 1 0 322.413 0.063 50 0 DCAARO CC[NH+]1CCN(CC(=O)N(C)[C@H](COC)c2ccccn2)CC1 ZINC000952977089 685600753 /nfs/dbraw/zinc/60/07/53/685600753.db2.gz OJIBKAYOPSZYGS-MRXNPFEDSA-N 1 0 320.437 0.865 50 0 DCAARO CCCc1noc(CN2CCC([N@@H+]3CCNC(=O)CC3)CC2)n1 ZINC000015066962 685050178 /nfs/dbraw/zinc/05/01/78/685050178.db2.gz AWZZADCZNPBDTJ-UHFFFAOYSA-N 1 0 321.425 0.808 50 0 DCAARO C[N@@H+]1CCCC[C@H]1CCn1ncc(N2CCOCC2)cc1=O ZINC000095361429 685111063 /nfs/dbraw/zinc/11/10/63/685111063.db2.gz AOKYTEUIVQTRNK-AWEZNQCLSA-N 1 0 306.410 0.954 50 0 DCAARO Cc1cccc(NC(=O)CN2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)c1C ZINC001772707867 1157844953 /nfs/dbraw/zinc/84/49/53/1157844953.db2.gz WGIURFQHZHXGBY-YOEHRIQHSA-N 1 0 303.406 0.756 50 0 DCAARO Cc1cccc(NC(=O)CN2C[C@H]3C[NH2+]C[C@]3(CO)C2)c1C ZINC001772707865 1157845067 /nfs/dbraw/zinc/84/50/67/1157845067.db2.gz WGIURFQHZHXGBY-RHSMWYFYSA-N 1 0 303.406 0.756 50 0 DCAARO O=C(CCCCc1cccnc1)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772709411 1157847436 /nfs/dbraw/zinc/84/74/36/1157847436.db2.gz POUSMWOGMVGURQ-WBVHZDCISA-N 1 0 303.406 0.835 50 0 DCAARO O=C(C1CC1)N1C[C@@H]2[C@H](C[NH+]3CCOCC3)[C@H]3CC[C@]2(C1)O3 ZINC001704325403 1179974026 /nfs/dbraw/zinc/97/40/26/1179974026.db2.gz LDULFFIKAQOIDG-KLZNWCGWSA-N 1 0 306.406 0.735 50 0 DCAARO CCc1ncc(C(=O)N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)cn1 ZINC001704340153 1179978656 /nfs/dbraw/zinc/97/86/56/1179978656.db2.gz VXVFOMGAVPTSPW-RHSMWYFYSA-N 1 0 318.421 0.958 50 0 DCAARO Cc1csc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H](O)C2)c1 ZINC000823730004 758268218 /nfs/dbraw/zinc/26/82/18/758268218.db2.gz ASJZGPOQFMUCOT-QWRGUYRKSA-N 1 0 304.437 0.742 50 0 DCAARO Cc1n[nH]c(C)c1S(=O)(=O)NCCNc1cc[nH+]cc1C ZINC000825253673 758800054 /nfs/dbraw/zinc/80/00/54/758800054.db2.gz SZLLHJGACZFEAU-UHFFFAOYSA-N 1 0 309.395 0.542 50 0 DCAARO CCC(C)(C)C(=O)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000585122373 766287765 /nfs/dbraw/zinc/28/77/65/766287765.db2.gz YSAHLYWVDXEZGN-CYBMUJFWSA-N 1 0 323.437 0.932 50 0 DCAARO Cc1cc2n(n1)CCCN(C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)C2 ZINC000952861011 768921575 /nfs/dbraw/zinc/92/15/75/768921575.db2.gz BJWTXZGDBVIENT-ZDUSSCGKSA-N 1 0 319.409 0.121 50 0 DCAARO C[C@H](O)C[N@H+](C)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC000952879675 768944388 /nfs/dbraw/zinc/94/43/88/768944388.db2.gz GIOSDEPMVJSQHS-NWANDNLSSA-N 1 0 308.378 0.681 50 0 DCAARO CN(C)C(=O)c1cncc(NCCC[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC001506427965 1017268525 /nfs/dbraw/zinc/26/85/25/1017268525.db2.gz VPCCYRYCXAHKBS-CYBMUJFWSA-N 1 0 321.425 0.685 50 0 DCAARO Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000095519131 185377062 /nfs/dbraw/zinc/37/70/62/185377062.db2.gz PDUDFRHLTHDKFL-AWEZNQCLSA-N 1 0 318.421 0.725 50 0 DCAARO COc1ccc(OC[C@@H](O)C[NH+](C)C)c(CN2CC(O)C2)c1 ZINC000095517750 185376852 /nfs/dbraw/zinc/37/68/52/185376852.db2.gz HVPPSPHGDRSCRY-AWEZNQCLSA-N 1 0 310.394 0.173 50 0 DCAARO C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCCOC3)ccn2)CC1 ZINC000079001465 185144576 /nfs/dbraw/zinc/14/45/76/185144576.db2.gz MRIJJPLUICJVQU-AWEZNQCLSA-N 1 0 304.394 0.742 50 0 DCAARO CCOCCN1CC[N@H+](CCOCC)C[C@H]1C(=O)N(C)C ZINC000079103754 185158597 /nfs/dbraw/zinc/15/85/97/185158597.db2.gz ARYOECCRJHDXEB-AWEZNQCLSA-N 1 0 301.431 0.134 50 0 DCAARO CCn1cc(CC[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cn1 ZINC000328591169 231233812 /nfs/dbraw/zinc/23/38/12/231233812.db2.gz MQSZXEFUKWFWSP-CYBMUJFWSA-N 1 0 314.455 0.707 50 0 DCAARO COCC(=O)NCc1cc2n(n1)CCCN(CC(C)(C)[NH3+])C2 ZINC000082137805 192360651 /nfs/dbraw/zinc/36/06/51/192360651.db2.gz XZNIXNLQJGTREX-UHFFFAOYSA-N 1 0 309.414 0.089 50 0 DCAARO CCC[N@@H+](CC(=O)Nc1cnn(CC(=O)NC)c1)CC1CC1 ZINC000095397361 185353228 /nfs/dbraw/zinc/35/32/28/185353228.db2.gz PWYZFNBFZSJQRV-UHFFFAOYSA-N 1 0 307.398 0.690 50 0 DCAARO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(C(N)=O)cc1 ZINC000408518785 530058307 /nfs/dbraw/zinc/05/83/07/530058307.db2.gz ZZAVQQJJACNUMF-CABCVRRESA-N 1 0 317.389 0.721 50 0 DCAARO CCn1c(=O)n(CCC(=O)N2CCCC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000071278633 190950887 /nfs/dbraw/zinc/95/08/87/190950887.db2.gz NQECRLANIXBZQY-CYBMUJFWSA-N 1 0 321.425 0.544 50 0 DCAARO Cc1nc(CCNC(=O)C[C@@H]2COCC[NH2+]2)nc2c1CCC2 ZINC000072125375 191042153 /nfs/dbraw/zinc/04/21/53/191042153.db2.gz OOEYNPXOYKNLRN-GFCCVEGCSA-N 1 0 304.394 0.311 50 0 DCAARO COCCc1noc(CN(C)Cc2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072126448 191043432 /nfs/dbraw/zinc/04/34/32/191043432.db2.gz SDPLZSKJLUAYPY-UHFFFAOYSA-N 1 0 320.397 0.580 50 0 DCAARO Cc1ccccc1OCC(=O)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072143336 191049664 /nfs/dbraw/zinc/04/96/64/191049664.db2.gz QEOYLUYNVZHXKD-QGZVFWFLSA-N 1 0 320.389 0.591 50 0 DCAARO Cc1nnnn1Cc1ccc(C(=O)N2CCC[C@H]([NH3+])CC2)cc1 ZINC000072150974 191055847 /nfs/dbraw/zinc/05/58/47/191055847.db2.gz NSYNXHNTWAMAID-HNNXBMFYSA-N 1 0 314.393 0.983 50 0 DCAARO Cc1nnnn1Cc1ccc(C(=O)N2CCC[C@@H]([NH3+])CC2)cc1 ZINC000072150975 191056261 /nfs/dbraw/zinc/05/62/61/191056261.db2.gz NSYNXHNTWAMAID-OAHLLOKOSA-N 1 0 314.393 0.983 50 0 DCAARO C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1cccc(-n2ccnc2)c1 ZINC000237464540 186293537 /nfs/dbraw/zinc/29/35/37/186293537.db2.gz FYYLMDRMWBETLQ-GLQYFDAESA-N 1 0 300.362 0.772 50 0 DCAARO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3C(N)=O)C2=O)n(C)n1 ZINC000253370433 186301802 /nfs/dbraw/zinc/30/18/02/186301802.db2.gz QVSQZTHOTZUHHM-UPJWGTAASA-N 1 0 319.409 0.468 50 0 DCAARO CCCOC[C@@H]1CCN(c2nc(N)nc3c2CC[NH2+]CC3)C1 ZINC000072418232 191157393 /nfs/dbraw/zinc/15/73/93/191157393.db2.gz OJRBYKNJDKWGLW-GFCCVEGCSA-N 1 0 305.426 1.000 50 0 DCAARO O=S(=O)(CCNC[C@@]1(O)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000072426769 191161973 /nfs/dbraw/zinc/16/19/73/191161973.db2.gz NGRJSHGQZSUUBC-CQSZACIVSA-N 1 0 316.398 0.304 50 0 DCAARO Cc1nc(C)n(CCn2ccnc2-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072440790 191166858 /nfs/dbraw/zinc/16/68/58/191166858.db2.gz SQCLXAVSAHDPJX-UHFFFAOYSA-N 1 0 312.381 0.758 50 0 DCAARO Cc1nn(C)c2ncnc(NCC[N@@H+]3CCCC[C@H]3CO)c12 ZINC000072475817 191176828 /nfs/dbraw/zinc/17/68/28/191176828.db2.gz NQGFZTDGRKVYJY-LBPRGKRZSA-N 1 0 304.398 0.930 50 0 DCAARO COc1ccc(N2C[C@H](C(=O)N3CC[NH2+]CC3)CC2=O)cc1 ZINC000003602945 181038929 /nfs/dbraw/zinc/03/89/29/181038929.db2.gz JKGXLZWWNBGJSP-GFCCVEGCSA-N 1 0 303.362 0.480 50 0 DCAARO CCn1cc(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000073674257 191340698 /nfs/dbraw/zinc/34/06/98/191340698.db2.gz FXLKHUUUACMZKS-AWEZNQCLSA-N 1 0 321.425 0.272 50 0 DCAARO CCC1(CC)NC(=O)N(CC(=O)N(C)C2CC[NH2+]CC2)C1=O ZINC000236872572 202046411 /nfs/dbraw/zinc/04/64/11/202046411.db2.gz MSQQAUMZOFESMA-UHFFFAOYSA-N 1 0 310.398 0.307 50 0 DCAARO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237048271 202134159 /nfs/dbraw/zinc/13/41/59/202134159.db2.gz XSSHLAXIUWTWOQ-DGCLKSJQSA-N 1 0 315.381 0.412 50 0 DCAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000237284176 202216262 /nfs/dbraw/zinc/21/62/62/202216262.db2.gz ABUJZEMCZRHTEM-GFCCVEGCSA-N 1 0 323.418 0.345 50 0 DCAARO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000091496824 291193445 /nfs/dbraw/zinc/19/34/45/291193445.db2.gz NJDQQIQXLPAJDM-ZYHUDNBSSA-N 1 0 312.391 0.877 50 0 DCAARO C[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(Cl)n2)[C@@H]1C[NH3+] ZINC000237559374 202282458 /nfs/dbraw/zinc/28/24/58/202282458.db2.gz UGXAYAPBFPXFKH-RKDXNWHRSA-N 1 0 306.819 0.821 50 0 DCAARO C[C@H]1CCCN(C(=O)COc2ccc(CC(N)=O)cc2)[C@H]1C[NH3+] ZINC000237697022 202330516 /nfs/dbraw/zinc/33/05/16/202330516.db2.gz FUFCYENRAUWWQX-WFASDCNBSA-N 1 0 319.405 0.679 50 0 DCAARO CCC(=O)c1ccc(OC[C@H](O)C[NH+](CCO)CCO)cc1 ZINC000006790349 181389968 /nfs/dbraw/zinc/38/99/68/181389968.db2.gz LZBCTXJTNWKWFU-CQSZACIVSA-N 1 0 311.378 0.306 50 0 DCAARO COc1cccc([C@H]2CN(C(=O)CNC(=O)N(C)C)C[C@@H]2[NH3+])c1 ZINC000091452213 193058789 /nfs/dbraw/zinc/05/87/89/193058789.db2.gz XXRNGPYOLHIMCV-KGLIPLIRSA-N 1 0 320.393 0.220 50 0 DCAARO COCC[C@]1(CO)CCC[N@H+](Cc2cc(=O)c(OC)c[nH]2)C1 ZINC000091382118 193048511 /nfs/dbraw/zinc/04/85/11/193048511.db2.gz NATUEAIFDIXFAG-MRXNPFEDSA-N 1 0 310.394 0.995 50 0 DCAARO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@]3(C(=O)[O-])C2)cn1 ZINC000091440370 193056401 /nfs/dbraw/zinc/05/64/01/193056401.db2.gz CKTUAQIAOKPLCX-YOEHRIQHSA-N 1 0 318.421 0.986 50 0 DCAARO CC(C)Nc1cc(N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)ncn1 ZINC000091574436 193074795 /nfs/dbraw/zinc/07/47/95/193074795.db2.gz UJDLQLSAIPHAMB-ZIAGYGMSSA-N 1 0 323.441 0.266 50 0 DCAARO COCC[N@H+](C)C[C@@H]1CN(c2ncnc3[nH]ccc32)C[C@@H]1CO ZINC000091474197 193061644 /nfs/dbraw/zinc/06/16/44/193061644.db2.gz SMDCLPQWVCFLKW-CHWSQXEVSA-N 1 0 319.409 0.581 50 0 DCAARO CCN1CC[C@@]2(CN(c3nccc(N)n3)CC[N@@H+]2C)CCC1=O ZINC000091624917 193080728 /nfs/dbraw/zinc/08/07/28/193080728.db2.gz DXRULYRMQNGNRM-MRXNPFEDSA-N 1 0 318.425 0.582 50 0 DCAARO CN(C)CC[N@H+](C)C[C@@H]1CN(C(=O)c2cccnc2)C[C@@H]1CO ZINC000092062056 193150736 /nfs/dbraw/zinc/15/07/36/193150736.db2.gz ZTVKOHGBJONYEO-HZPDHXFCSA-N 1 0 320.437 0.256 50 0 DCAARO CN1CCC[N@H+](C[C@@H]2CN(C(=O)CC3CCC3)C[C@@H]2CO)CC1 ZINC000092065281 193150936 /nfs/dbraw/zinc/15/09/36/193150936.db2.gz YPRIZMGVICWDLI-IAGOWNOFSA-N 1 0 323.481 0.881 50 0 DCAARO COC(=O)N1C[C@@H]([NH+]2CCCCC2)[C@@H](O)CN1C(=O)OC ZINC000001275870 283904118 /nfs/dbraw/zinc/90/41/18/283904118.db2.gz MMZZRSKYKIOHML-MNOVXSKESA-N 1 0 301.343 0.267 50 0 DCAARO CCn1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCCC2)cc1=O ZINC000215282494 201456378 /nfs/dbraw/zinc/45/63/78/201456378.db2.gz XANZZZCKMMNYGK-OAHLLOKOSA-N 1 0 321.421 0.835 50 0 DCAARO COC(=O)c1ccc2c(c1)[n+](CCOC(C)=O)c(C)n2CCO ZINC000017160388 182078141 /nfs/dbraw/zinc/07/81/41/182078141.db2.gz BBHDXHHBXPQCBX-UHFFFAOYSA-N 1 0 321.353 0.579 50 0 DCAARO COc1ccc2[nH]cc(CCNC(=O)CN3CC[NH2+]CC3)c2c1 ZINC000023292101 182356499 /nfs/dbraw/zinc/35/64/99/182356499.db2.gz WSAXYDDBRZVMGT-UHFFFAOYSA-N 1 0 316.405 0.740 50 0 DCAARO Cc1oc2ncn(CC(=O)NCC[NH+]3CCCC3)c(=O)c2c1C ZINC000035378371 182773075 /nfs/dbraw/zinc/77/30/75/182773075.db2.gz QPDXUJFCIAIXTC-UHFFFAOYSA-N 1 0 318.377 0.818 50 0 DCAARO C[C@H]1CN(S(=O)(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000041630914 183212512 /nfs/dbraw/zinc/21/25/12/183212512.db2.gz OSAWKTGXKSZNGI-STQMWFEESA-N 1 0 319.471 0.804 50 0 DCAARO C[C@@H]1CN(S(=O)(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000041630911 183212548 /nfs/dbraw/zinc/21/25/48/183212548.db2.gz OSAWKTGXKSZNGI-BETUJISGSA-N 1 0 319.471 0.804 50 0 DCAARO O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000042871322 183316208 /nfs/dbraw/zinc/31/62/08/183316208.db2.gz LIFJZSOGDWJKGI-UTUOFQBUSA-N 1 0 301.412 0.100 50 0 DCAARO CC(C)[C@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[NH+](C)C ZINC000044870153 183444588 /nfs/dbraw/zinc/44/45/88/183444588.db2.gz GVTVUWKGVHZKNS-STQMWFEESA-N 1 0 319.471 0.503 50 0 DCAARO CC(C)=CC[N@@H+]1CCN(Cc2cnc(N)nc2)C[C@H]1CCO ZINC000104509006 194012716 /nfs/dbraw/zinc/01/27/16/194012716.db2.gz NAGWROVSNKHJAB-OAHLLOKOSA-N 1 0 305.426 0.894 50 0 DCAARO O=C1CCN(c2nc(-c3cccnc3)nc3c2CC[NH2+]C3)CCN1 ZINC000071682061 284798868 /nfs/dbraw/zinc/79/88/68/284798868.db2.gz MWOVYIWKGKRXDS-UHFFFAOYSA-N 1 0 324.388 0.511 50 0 DCAARO C[NH+](C)C[C@@H]1CN(C[C@@H](O)COCc2ccccc2)CCO1 ZINC000106785882 194252277 /nfs/dbraw/zinc/25/22/77/194252277.db2.gz YUKYWKABRJISOK-IAGOWNOFSA-N 1 0 308.422 0.827 50 0 DCAARO O=C(C[NH+]1CCC(C(=O)NCCO)CC1)NCc1ccccc1 ZINC000058292596 184101236 /nfs/dbraw/zinc/10/12/36/184101236.db2.gz WQSBMZLWEMQMFX-UHFFFAOYSA-N 1 0 319.405 0.123 50 0 DCAARO COC(=O)c1cccn1C1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000058317050 184104921 /nfs/dbraw/zinc/10/49/21/184104921.db2.gz HIPCEQDDNHYSMT-JTQLQIEISA-N 1 0 322.365 0.495 50 0 DCAARO COc1c(C[NH2+]CCn2nc3ccccn3c2=O)c(C)nn1C ZINC000058406438 184114167 /nfs/dbraw/zinc/11/41/67/184114167.db2.gz QNWQCMRICNXRMI-UHFFFAOYSA-N 1 0 316.365 0.336 50 0 DCAARO Cc1nn(C)c(N(C)C)c1C[NH2+]CCC(=O)N1CCOCC1 ZINC000058407332 184114354 /nfs/dbraw/zinc/11/43/54/184114354.db2.gz FTSMSRBBUZYHHQ-UHFFFAOYSA-N 1 0 309.414 0.133 50 0 DCAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C1CCC(O)CC1 ZINC000058424114 184116378 /nfs/dbraw/zinc/11/63/78/184116378.db2.gz LZLOPTCNUOJWPB-UHFFFAOYSA-N 1 0 308.426 0.958 50 0 DCAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC000065362980 184328536 /nfs/dbraw/zinc/32/85/36/184328536.db2.gz MRXBMPRZXXZATO-GFCCVEGCSA-N 1 0 305.444 0.116 50 0 DCAARO O=C(NCCc1cnccn1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065525556 184359815 /nfs/dbraw/zinc/35/98/15/184359815.db2.gz ISIUAAAFNLCJEP-LBPRGKRZSA-N 1 0 315.381 0.040 50 0 DCAARO O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)N1CCNC(=O)C1 ZINC000065520351 184358362 /nfs/dbraw/zinc/35/83/62/184358362.db2.gz AFSXFHDSPPEKLS-OAHLLOKOSA-N 1 0 319.380 0.791 50 0 DCAARO CN(C)C(=O)N1CC[N@H+](CCCN2CCOCC2)C(C)(C)C1 ZINC000348921639 254264103 /nfs/dbraw/zinc/26/41/03/254264103.db2.gz SSDZACQIGRTENI-UHFFFAOYSA-N 1 0 312.458 0.787 50 0 DCAARO COC1CCN(C(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000426720023 257243213 /nfs/dbraw/zinc/24/32/13/257243213.db2.gz SZMOQLUMZQUAEX-CYBMUJFWSA-N 1 0 306.410 0.988 50 0 DCAARO C[C@@H](Cn1cncn1)NC(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000426701737 257243566 /nfs/dbraw/zinc/24/35/66/257243566.db2.gz VVUHIPMNTCEGHC-NSHDSACASA-N 1 0 321.356 0.963 50 0 DCAARO COc1cccc(OC)c1CNC(=O)NC[C@@]1(O)CCC[NH2+]C1 ZINC000426677902 257244235 /nfs/dbraw/zinc/24/42/35/257244235.db2.gz XRRGQIYPISQFDY-MRXNPFEDSA-N 1 0 323.393 0.618 50 0 DCAARO Cc1ccn2c(nnc2C(=O)NCCNc2cc[nH+]cc2C)n1 ZINC000426589125 257246065 /nfs/dbraw/zinc/24/60/65/257246065.db2.gz STVPVADAJFEPJT-UHFFFAOYSA-N 1 0 311.349 0.400 50 0 DCAARO CN1C[C@@H](NC(=O)Cc2cccc(OCC[NH3+])c2)CCC1=O ZINC000426548712 257246626 /nfs/dbraw/zinc/24/66/26/257246626.db2.gz AEIYJBARQYZMRY-ZDUSSCGKSA-N 1 0 305.378 0.304 50 0 DCAARO COCC[N@@H+]1CCC[C@@H](C(=O)NCc2cnc3cnccn23)C1 ZINC000426477361 257249577 /nfs/dbraw/zinc/24/95/77/257249577.db2.gz JGVVWQDZIZMFLZ-CYBMUJFWSA-N 1 0 317.393 0.704 50 0 DCAARO COc1ccc(C(=O)NC2(C(N)=O)CCCC2)c(OCC[NH3+])c1 ZINC000426431056 257250262 /nfs/dbraw/zinc/25/02/62/257250262.db2.gz KKOYGOROSHYPIF-UHFFFAOYSA-N 1 0 321.377 0.561 50 0 DCAARO O=C(NCCn1cccn1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000426445523 257250345 /nfs/dbraw/zinc/25/03/45/257250345.db2.gz KLTHNSAFFFVVCK-HNNXBMFYSA-N 1 0 321.425 0.779 50 0 DCAARO O[C@@H]1C[C@H]2C[N@H+](C3CCN(c4ncccn4)CC3)C[C@H]2C[C@@H]1O ZINC000072151722 285335633 /nfs/dbraw/zinc/33/56/33/285335633.db2.gz JHVCZJAWVSGYFA-UPUJQMMVSA-N 1 0 318.421 0.509 50 0 DCAARO Cc1cnn(CC[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000071872137 184879842 /nfs/dbraw/zinc/87/98/42/184879842.db2.gz YTCIRBHRTOHRQX-CYBMUJFWSA-N 1 0 319.361 0.950 50 0 DCAARO CCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000012069456 395686957 /nfs/dbraw/zinc/68/69/57/395686957.db2.gz WXVLWCJUBFSKPV-UHFFFAOYSA-N 1 0 318.421 0.451 50 0 DCAARO CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@H](O)[C@H]12)C(C)C ZINC000013361447 395688504 /nfs/dbraw/zinc/68/85/04/395688504.db2.gz LMFKRLGHEKVMNT-AOLWHUPESA-N 1 0 313.394 0.327 50 0 biogenic DCAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+]C1CC1 ZINC000007776973 395683624 /nfs/dbraw/zinc/68/36/24/395683624.db2.gz QRNPTLNRHUJCIW-UHFFFAOYSA-N 1 0 311.407 0.936 50 0 DCAARO NC(=O)NC(=O)CCN1CCC[N@H+](Cc2cccs2)CC1 ZINC000030212138 395701837 /nfs/dbraw/zinc/70/18/37/395701837.db2.gz DTMHZFUKKHKITF-UHFFFAOYSA-N 1 0 310.423 0.841 50 0 DCAARO COC[C@H](O)C[N@H+](CCO)C[C@H](O)Cn1ccc2ccccc21 ZINC000036602822 395723864 /nfs/dbraw/zinc/72/38/64/395723864.db2.gz QHFPUUSVICKZOS-JKSUJKDBSA-N 1 0 322.405 0.304 50 0 DCAARO Cc1nnc2n1C[C@@H](C[NH2+]CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000089740899 395714524 /nfs/dbraw/zinc/71/45/24/395714524.db2.gz QFWLZORHMHQPEW-LLVKDONJSA-N 1 0 320.397 0.069 50 0 DCAARO CN1C(=O)N[C@@](C)([C@H]2CCC[N@H+](CCn3cccn3)C2)C1=O ZINC000089914264 395716253 /nfs/dbraw/zinc/71/62/53/395716253.db2.gz LNQBNYBNJPXQRZ-WFASDCNBSA-N 1 0 305.382 0.535 50 0 DCAARO C[NH+](C)C(C)(C)CNC(=O)C1=NN(c2ccccc2)C(=O)CN1 ZINC000042017651 395741647 /nfs/dbraw/zinc/74/16/47/395741647.db2.gz UCQUJPMOGZAKBV-UHFFFAOYSA-N 1 0 317.393 0.393 50 0 DCAARO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2C)CC1 ZINC000107354843 395785599 /nfs/dbraw/zinc/78/55/99/395785599.db2.gz JPUCDDWRABFHSB-LRDDRELGSA-N 1 0 306.410 0.967 50 0 DCAARO Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1C[C@@H]3CCCC[C@@H]3[NH2+]1)CC2 ZINC000225465088 395860558 /nfs/dbraw/zinc/86/05/58/395860558.db2.gz OWHFUWGGERUSJV-WHOFXGATSA-N 1 0 316.405 0.586 50 0 DCAARO CCS(=O)(=O)N1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000219283115 395844723 /nfs/dbraw/zinc/84/47/23/395844723.db2.gz BIXLQRWZVPOTAO-CYBMUJFWSA-N 1 0 316.427 0.034 50 0 DCAARO CN(C)c1ccc(CC(=O)N[C@H]2C[C@H]3CN(C)CC[N@@H+]3C2)cc1 ZINC000219634553 395846299 /nfs/dbraw/zinc/84/62/99/395846299.db2.gz UYBGVIWYYCUPQD-RDJZCZTQSA-N 1 0 316.449 0.800 50 0 DCAARO Cc1cc(C[C@@H](C)NC(=O)CN(C)C2CC[NH+](C)CC2)[nH]n1 ZINC000220582094 395848898 /nfs/dbraw/zinc/84/88/98/395848898.db2.gz BXPZDCFMECBXKU-GFCCVEGCSA-N 1 0 307.442 0.791 50 0 DCAARO C[N@@H+]1CCC[C@@H](C(=O)NCc2csc(N3CCOCC3)n2)C1 ZINC000223349801 395855015 /nfs/dbraw/zinc/85/50/15/395855015.db2.gz SNHDFVSKMDHMGO-GFCCVEGCSA-N 1 0 324.450 0.938 50 0 DCAARO C[N@H+](CCNC(=O)N1CC[C@@H](C(N)=O)C1)Cc1ccccc1 ZINC000054764668 395905212 /nfs/dbraw/zinc/90/52/12/395905212.db2.gz WGACSYRDUPHMQC-CQSZACIVSA-N 1 0 304.394 0.635 50 0 DCAARO COCCN(Cc1cnn(C)c1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000055154724 395912343 /nfs/dbraw/zinc/91/23/43/395912343.db2.gz WKRAQXIXIFYGMH-INIZCTEOSA-N 1 0 316.405 0.965 50 0 DCAARO CCN1CCO[C@H](C[NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000229559751 395875405 /nfs/dbraw/zinc/87/54/05/395875405.db2.gz QYQIKTMZMVCDBE-GDBMZVCRSA-N 1 0 312.385 0.876 50 0 DCAARO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000247506493 395974927 /nfs/dbraw/zinc/97/49/27/395974927.db2.gz HCSCPAIDTALWEC-RWMBFGLXSA-N 1 0 315.439 0.153 50 0 DCAARO CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]([NH2+]C)C2)c1 ZINC000150989812 395977300 /nfs/dbraw/zinc/97/73/00/395977300.db2.gz UMEPXUYZRPVVJX-VIFPVBQESA-N 1 0 317.436 0.480 50 0 DCAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000247923400 395980538 /nfs/dbraw/zinc/98/05/38/395980538.db2.gz HURKSGFQDCUOKR-VNQPRFMTSA-N 1 0 323.437 0.709 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000248501278 395989106 /nfs/dbraw/zinc/98/91/06/395989106.db2.gz WJBKZTRALYELSX-KBPBESRZSA-N 1 0 311.426 0.328 50 0 DCAARO Cn1cc(C[NH2+]C[C@@H]2CN(C)CCO2)c(-c2ccncc2)n1 ZINC000065611260 395994930 /nfs/dbraw/zinc/99/49/30/395994930.db2.gz VSJWDHOCEBRHFJ-OAHLLOKOSA-N 1 0 301.394 0.902 50 0 DCAARO CCc1nnc(CN(C)c2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)o1 ZINC000252552909 396023408 /nfs/dbraw/zinc/02/34/08/396023408.db2.gz VFMKNFSMXHZAFG-DTORHVGOSA-N 1 0 304.354 0.879 50 0 DCAARO O=c1[nH]nc2c(N3CCC[C@H]([NH2+]C4CCOCC4)C3)nccn12 ZINC000067350061 396024942 /nfs/dbraw/zinc/02/49/42/396024942.db2.gz WFEHULUXFTVUOD-LBPRGKRZSA-N 1 0 318.381 0.155 50 0 DCAARO O=C(N[C@@H]1C[N@H+](C2CCSCC2)C[C@H]1CO)c1ccncc1 ZINC000257184115 396034438 /nfs/dbraw/zinc/03/44/38/396034438.db2.gz IEJAEFIAQYCPEH-DZGCQCFKSA-N 1 0 321.446 1.000 50 0 DCAARO COc1cc(C[N@@H+]2C[C@@H](CO)[C@H](C(=O)N(C)C)C2)ccc1F ZINC000257189441 396034852 /nfs/dbraw/zinc/03/48/52/396034852.db2.gz ITXICOMNVMIPCK-QWHCGFSZSA-N 1 0 310.369 0.963 50 0 DCAARO CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000154257144 396035159 /nfs/dbraw/zinc/03/51/59/396035159.db2.gz PIBDXYHHFGSPKM-XMXMHJJKSA-N 1 0 302.378 0.663 50 0 DCAARO [NH3+]Cc1cn(C[C@@H]2CCCN(c3ncnc4nc[nH]c43)C2)nn1 ZINC000067833671 396035617 /nfs/dbraw/zinc/03/56/17/396035617.db2.gz QHRTUDUPFHGPGH-SNVBAGLBSA-N 1 0 313.369 0.320 50 0 DCAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H](C)CO)cnn2c1 ZINC000067964794 396040815 /nfs/dbraw/zinc/04/08/15/396040815.db2.gz VMTKYBAXSFYBFQ-LLVKDONJSA-N 1 0 305.382 0.682 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)CC1 ZINC000257366294 396047173 /nfs/dbraw/zinc/04/71/73/396047173.db2.gz QWLHFSVJICFTCZ-GDBMZVCRSA-N 1 0 322.453 0.093 50 0 DCAARO CC(=O)N1CCN([C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2C)CC1 ZINC000257366269 396047196 /nfs/dbraw/zinc/04/71/96/396047196.db2.gz QBKWYJAOPWUOHF-XJKCOSOUSA-N 1 0 322.453 0.138 50 0 DCAARO CN(CCCc1cnn(C)c1)C(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000252490612 396020672 /nfs/dbraw/zinc/02/06/72/396020672.db2.gz KXUFGCVSKRFFDH-HNNXBMFYSA-N 1 0 307.442 0.447 50 0 DCAARO CC[NH+]1CCC(NC(=O)CN2CC(n3nc(C)cc3C)C2)CC1 ZINC000069654104 396086076 /nfs/dbraw/zinc/08/60/76/396086076.db2.gz SDRVANPQTPABJS-UHFFFAOYSA-N 1 0 319.453 0.957 50 0 DCAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)n1 ZINC000069705947 396087875 /nfs/dbraw/zinc/08/78/75/396087875.db2.gz LPSVLSSURZZPFV-HZPDHXFCSA-N 1 0 323.441 0.052 50 0 DCAARO Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000165456064 396088149 /nfs/dbraw/zinc/08/81/49/396088149.db2.gz LYUPWVSDWGCXBY-CQSZACIVSA-N 1 0 306.410 0.935 50 0 DCAARO COCCN1C(=O)[C@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]2C1=O ZINC000169751572 396090765 /nfs/dbraw/zinc/09/07/65/396090765.db2.gz KFZQLPJDDRASBG-GASCZTMLSA-N 1 0 318.373 0.758 50 0 DCAARO COC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)CC12CC[NH2+]CC2 ZINC000169782371 396091937 /nfs/dbraw/zinc/09/19/37/396091937.db2.gz CQIDAQDJJFKIJE-ZDUSSCGKSA-N 1 0 306.410 0.817 50 0 DCAARO CC(C)(O)C[NH+]1CCN(C(=O)Cc2cn3ccccc3n2)CC1 ZINC000069928581 396095219 /nfs/dbraw/zinc/09/52/19/396095219.db2.gz JCQJBYNBTVCIQZ-UHFFFAOYSA-N 1 0 316.405 0.792 50 0 DCAARO C[C@H]([C@H](C)[NH2+]CC(=O)N[C@@H]1CCCCNC1=O)n1cccn1 ZINC000069926533 396095618 /nfs/dbraw/zinc/09/56/18/396095618.db2.gz PRIMPMOUSGXAIZ-YNEHKIRRSA-N 1 0 307.398 0.207 50 0 DCAARO O=C(NCCCN1Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000170640317 396095958 /nfs/dbraw/zinc/09/59/58/396095958.db2.gz XOCNADWGEBPQLN-OAHLLOKOSA-N 1 0 322.430 0.943 50 0 DCAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccncn3)C2)CC1 ZINC000071775565 396114245 /nfs/dbraw/zinc/11/42/45/396114245.db2.gz OELBOLTZLXGFLP-AWEZNQCLSA-N 1 0 317.437 0.899 50 0 DCAARO C[C@@H]1C[NH+](C[C@H](O)Cn2nnc(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000071832852 396117837 /nfs/dbraw/zinc/11/78/37/396117837.db2.gz JRIHOWNHUAKGFU-NFAWXSAZSA-N 1 0 317.393 0.810 50 0 DCAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000071880510 396122499 /nfs/dbraw/zinc/12/24/99/396122499.db2.gz NKYWBHUHENTBKI-CABCVRRESA-N 1 0 309.410 0.321 50 0 DCAARO CC(C)COC[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000071897753 396124802 /nfs/dbraw/zinc/12/48/02/396124802.db2.gz KGMCOPBFPGSCQL-UONOGXRCSA-N 1 0 300.447 0.593 50 0 DCAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(=O)n(C)n1 ZINC000072234543 396127291 /nfs/dbraw/zinc/12/72/91/396127291.db2.gz KKJXWAGCJCTLGI-KGLIPLIRSA-N 1 0 304.394 0.869 50 0 DCAARO CCOc1cc(CNC(=O)CN2CC[NH+](CC)CC2)ccn1 ZINC000072301502 396130839 /nfs/dbraw/zinc/13/08/39/396130839.db2.gz VPWKVCCFXCMQSP-UHFFFAOYSA-N 1 0 306.410 0.734 50 0 DCAARO C[C@@]1([C@@H]2CCC[N@H+](CC(=O)NCC3CCC3)C2)NC(=O)NC1=O ZINC000072300680 396130911 /nfs/dbraw/zinc/13/09/11/396130911.db2.gz MOFZTVBUWLTVPQ-WBMJQRKESA-N 1 0 322.409 0.213 50 0 DCAARO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)N1CCc2ccccc21 ZINC000069528608 396082165 /nfs/dbraw/zinc/08/21/65/396082165.db2.gz ZEINOANURFEAEM-UKRRQHHQSA-N 1 0 303.406 0.884 50 0 DCAARO C[C@H]1C[NH2+]CCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000178499135 396197367 /nfs/dbraw/zinc/19/73/67/396197367.db2.gz OIVLXUVUKWDMIO-ZETCQYMHSA-N 1 0 300.156 0.571 50 0 DCAARO Cn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)COCc1ccco1)CC2 ZINC000078616211 396249253 /nfs/dbraw/zinc/24/92/53/396249253.db2.gz FXZNPWLYKALJHN-CYBMUJFWSA-N 1 0 319.361 0.309 50 0 DCAARO Nc1cc(=O)[nH]c(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)n1 ZINC000077320308 396217942 /nfs/dbraw/zinc/21/79/42/396217942.db2.gz IGBHYJKMJBTSJA-LLVKDONJSA-N 1 0 308.382 0.212 50 0 DCAARO COc1c(C)cnc(CN(C)C(=O)c2cn(CC[NH3+])nn2)c1C ZINC000077301371 396218190 /nfs/dbraw/zinc/21/81/90/396218190.db2.gz BKEGJYFWFPCBBX-UHFFFAOYSA-N 1 0 318.381 0.529 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1csc(C(C)=O)c1 ZINC000077387386 396220075 /nfs/dbraw/zinc/22/00/75/396220075.db2.gz WNMBGDVLYOVOBA-NEPJUHHUSA-N 1 0 323.418 0.558 50 0 DCAARO Cc1cc(CC(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)on1 ZINC000077406278 396221279 /nfs/dbraw/zinc/22/12/79/396221279.db2.gz BOXFMUSCAVDBOX-MRXNPFEDSA-N 1 0 323.393 0.211 50 0 DCAARO O=C(C[C@H]1C[NH2+]CCO1)NCCc1cnn(-c2ccccc2)c1 ZINC000269211256 396395105 /nfs/dbraw/zinc/39/51/05/396395105.db2.gz PWXFHLKDXPJWRE-INIZCTEOSA-N 1 0 314.389 0.910 50 0 DCAARO C[N@@H+]1CCCC2(CCN(C(=O)CS(C)(=O)=O)CC2)CC1 ZINC000584894777 396634603 /nfs/dbraw/zinc/63/46/03/396634603.db2.gz OALBMGDREHZBSA-UHFFFAOYSA-N 1 0 302.440 0.756 50 0 DCAARO CC(C)C[N@@H+]1CCN(C(=O)c2cncc(O)c2)C[C@H]1CCO ZINC000584901921 396636799 /nfs/dbraw/zinc/63/67/99/396636799.db2.gz QCCAYLPKAWCICO-CQSZACIVSA-N 1 0 307.394 0.952 50 0 DCAARO CO[C@H]1CN(C(=O)C2CC[NH+](C3CCOCC3)CC2)C[C@@H]1O ZINC000584902076 396637286 /nfs/dbraw/zinc/63/72/86/396637286.db2.gz GZNRCXHGHWQBLZ-GJZGRUSLSA-N 1 0 312.410 0.096 50 0 DCAARO CCc1nc(CC[NH2+][C@H](C)CNS(=O)(=O)C2CC2)no1 ZINC000584901307 396637325 /nfs/dbraw/zinc/63/73/25/396637325.db2.gz REWDPCKWSXOHDO-SECBINFHSA-N 1 0 302.400 0.234 50 0 DCAARO C[C@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000375855957 396833817 /nfs/dbraw/zinc/83/38/17/396833817.db2.gz DMDVOMOFSWVVDX-VAQLIOGMSA-N 1 0 323.437 0.611 50 0 DCAARO O=C(Cn1ncccc1=O)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256977 396942361 /nfs/dbraw/zinc/94/23/61/396942361.db2.gz NLMYKOHSBWJGAN-CYBMUJFWSA-N 1 0 318.402 0.696 50 0 DCAARO COC(=O)c1sc2[nH]c(C[n+]3ccn(C)c3)nc(=O)c2c1C ZINC000007738562 415139146 /nfs/dbraw/zinc/13/91/46/415139146.db2.gz WMRBQFSRFVGYAM-UHFFFAOYSA-O 1 0 319.366 0.754 50 0 DCAARO CCc1nnsc1C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000044941489 415234615 /nfs/dbraw/zinc/23/46/15/415234615.db2.gz GGSIGQSOJZPXQC-LLVKDONJSA-N 1 0 311.455 0.856 50 0 DCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCn2ccnc2)C1 ZINC000044966636 415240873 /nfs/dbraw/zinc/24/08/73/415240873.db2.gz NYXKVHZAVJQFGI-CQSZACIVSA-N 1 0 309.414 0.539 50 0 DCAARO c1nc2ncnc(NC[C@@H]([C@@H]3CCOC3)[NH+]3CCOCC3)c2[nH]1 ZINC000047510565 415269665 /nfs/dbraw/zinc/26/96/65/415269665.db2.gz UCCKPBDLGITFEN-NEPJUHHUSA-N 1 0 318.381 0.502 50 0 DCAARO COCCn1nc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1=O ZINC000048251869 415287395 /nfs/dbraw/zinc/28/73/95/415287395.db2.gz NBENTRVQFBJQGP-UHFFFAOYSA-N 1 0 320.393 0.246 50 0 DCAARO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccccn1 ZINC000069444377 415399432 /nfs/dbraw/zinc/39/94/32/415399432.db2.gz UJQWQYNUPYKWSC-CQSZACIVSA-N 1 0 304.394 0.754 50 0 DCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1c(C)n[nH]c1C ZINC000067724475 415384429 /nfs/dbraw/zinc/38/44/29/415384429.db2.gz QQPSTXNYFILQSK-YPMHNXCESA-N 1 0 307.398 0.023 50 0 DCAARO CCn1c(CC2CC[NH+](C[C@@H]3CCOC3)CC2)nn(C)c1=O ZINC000067788715 415385730 /nfs/dbraw/zinc/38/57/30/415385730.db2.gz PTPGWTCEMTWUEE-AWEZNQCLSA-N 1 0 308.426 0.893 50 0 DCAARO CCC[C@H]1CN(CCCS(=O)(=O)N(C)C)C[C@@H]1[NH+](C)C ZINC000091643858 415533354 /nfs/dbraw/zinc/53/33/54/415533354.db2.gz MCCRREGIDKPDTD-KBPBESRZSA-N 1 0 305.488 0.930 50 0 DCAARO Cc1cc(C)n(C2CN(C(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)C2)n1 ZINC000091657281 415540448 /nfs/dbraw/zinc/54/04/48/415540448.db2.gz LPRSMVZFVCAHLN-ZDUSSCGKSA-N 1 0 319.409 0.081 50 0 DCAARO C[NH+](C)CCN1C[C@H](C(=O)N2CCc3ncccc3C2)CC1=O ZINC000095374573 415559491 /nfs/dbraw/zinc/55/94/91/415559491.db2.gz SPQMHQHFXFVVLJ-CQSZACIVSA-N 1 0 316.405 0.376 50 0 DCAARO O=c1oc2ccccc2n1Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000095381257 415559507 /nfs/dbraw/zinc/55/95/07/415559507.db2.gz LHWRRUFATPMAIM-LBPRGKRZSA-N 1 0 315.333 0.223 50 0 DCAARO CCS(=O)(=O)N1CCC([NH2+]Cc2nc(C)ccc2O)CC1 ZINC000103341892 415617120 /nfs/dbraw/zinc/61/71/20/415617120.db2.gz QEHFYHFLQNTFKY-UHFFFAOYSA-N 1 0 313.423 0.999 50 0 DCAARO CC[C@@H]1CN(CCCS(=O)(=O)N(C)C)CC[N@@H+]1C[C@H](C)O ZINC000106906949 415651132 /nfs/dbraw/zinc/65/11/32/415651132.db2.gz LBKJNKXHPIISDR-UONOGXRCSA-N 1 0 321.487 0.045 50 0 DCAARO O=C([O-])[C@]12C[NH+](C3CCCC3)C[C@H]1C[N@@H+](CCn1cnnc1)C2 ZINC000096139539 415577662 /nfs/dbraw/zinc/57/76/62/415577662.db2.gz BOEONBMXVFFSGG-CZUORRHYSA-N 1 0 319.409 0.539 50 0 DCAARO CC1CC[NH+](C[C@H](O)Cn2cnc3cnccc3c2=O)CC1 ZINC000097080140 415582071 /nfs/dbraw/zinc/58/20/71/415582071.db2.gz JBBSOBPZFSBIKU-ZDUSSCGKSA-N 1 0 302.378 0.884 50 0 DCAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cn2cccnc2n1 ZINC000097528098 415590927 /nfs/dbraw/zinc/59/09/27/415590927.db2.gz QHHJYOSVWDTKEJ-ZDUSSCGKSA-N 1 0 317.393 0.912 50 0 DCAARO Nc1nc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cs1 ZINC000299768628 416065848 /nfs/dbraw/zinc/06/58/48/416065848.db2.gz LNZZWLJZLFXLHJ-LLVKDONJSA-N 1 0 310.423 0.787 50 0 DCAARO Cn1cnc(C(=O)NCC[C@H]2CCC(=O)N2CC[NH+](C)C)c1 ZINC000299765239 416066412 /nfs/dbraw/zinc/06/64/12/416066412.db2.gz KSIFYVZSYPVTBB-GFCCVEGCSA-N 1 0 307.398 0.093 50 0 DCAARO O=C(NCC[NH+]1CCC(CO)CC1)C1(Cn2ccnc2)CC1 ZINC000299777818 416067788 /nfs/dbraw/zinc/06/77/88/416067788.db2.gz OKICDVXLTMCMPA-UHFFFAOYSA-N 1 0 306.410 0.484 50 0 DCAARO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000299794943 416069237 /nfs/dbraw/zinc/06/92/37/416069237.db2.gz KGWNTWCOTGGLAT-AWEZNQCLSA-N 1 0 308.426 0.996 50 0 DCAARO NS(=O)(=O)N1CCN(Cc2cnc(-c3ccco3)nc2)CC1 ZINC000215614807 416326997 /nfs/dbraw/zinc/32/69/97/416326997.db2.gz RGFXUWMAYGOSBQ-UHFFFAOYSA-N 1 0 323.378 0.058 50 0 DCAARO C[N@H+](CCN(C(=O)[C@@H]1CCc2n[nH]nc2C1)C1CC1)C1CC1 ZINC000240707814 416330066 /nfs/dbraw/zinc/33/00/66/416330066.db2.gz HQRJKTZAKDBINP-LLVKDONJSA-N 1 0 303.410 0.995 50 0 DCAARO Cc1nnc([C@H](C)NC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)[nH]1 ZINC000244718696 416330883 /nfs/dbraw/zinc/33/08/83/416330883.db2.gz LPGUTPOKWXQKOS-INTQDDNPSA-N 1 0 318.385 0.638 50 0 DCAARO Cc1nc(N)sc1CC(=O)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000584893592 416515904 /nfs/dbraw/zinc/51/59/04/416515904.db2.gz HJWNKXHVKIGPOS-QWRGUYRKSA-N 1 0 310.423 0.244 50 0 DCAARO COCC[N@H+](C)CCCNC(=O)c1nc(-c2cnccn2)no1 ZINC000585119035 416517292 /nfs/dbraw/zinc/51/72/92/416517292.db2.gz NJWWTLKCBGFVDT-UHFFFAOYSA-N 1 0 320.353 0.225 50 0 DCAARO Nc1nc(CNC(=O)Cc2cccc(OCC[NH3+])c2)cs1 ZINC000426658223 416777484 /nfs/dbraw/zinc/77/74/84/416777484.db2.gz LNNWHXLYLALHFT-UHFFFAOYSA-N 1 0 306.391 0.922 50 0 DCAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000299750172 229392873 /nfs/dbraw/zinc/39/28/73/229392873.db2.gz MRTDGBDRDRTVMV-BZUAXINKSA-N 1 0 304.390 0.963 50 0 DCAARO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC(OCCc2ccccc2)CC1 ZINC000299753456 229398209 /nfs/dbraw/zinc/39/82/09/229398209.db2.gz YHAZLQRRJGTPSD-DOTOQJQBSA-N 1 0 318.417 0.960 50 0 DCAARO CC(C)(C[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1)N1CCOCC1 ZINC000299763753 277299566 /nfs/dbraw/zinc/29/95/66/277299566.db2.gz QWXNRDHTJVWWEA-LSDHHAIUSA-N 1 0 321.425 0.535 50 0 DCAARO C[C@@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[NH+]1CCCC1 ZINC000042509349 278279562 /nfs/dbraw/zinc/27/95/62/278279562.db2.gz VRERJUWBUUVGIY-STQMWFEESA-N 1 0 317.455 0.401 50 0 DCAARO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cn(C)c(C)n1 ZINC000072300164 281195377 /nfs/dbraw/zinc/19/53/77/281195377.db2.gz CXUCGLVXHWXCAB-QWHCGFSZSA-N 1 0 312.439 0.976 50 0 DCAARO Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CCCCC[N@@H+]1C)C2 ZINC000095384318 282008024 /nfs/dbraw/zinc/00/80/24/282008024.db2.gz HUROXYUNKCFFJA-AWEZNQCLSA-N 1 0 304.394 0.805 50 0 DCAARO Cc1c[nH+]ccc1N1CCN(C(=O)NCCC(=O)N(C)C)CC1 ZINC000534575217 334287554 /nfs/dbraw/zinc/28/75/54/334287554.db2.gz FYFIEIRVDPHSGR-UHFFFAOYSA-N 1 0 319.409 0.700 50 0 DCAARO COCC1(CNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)CCCC1 ZINC000534660604 334313804 /nfs/dbraw/zinc/31/38/04/334313804.db2.gz ZLDSECOYPOYQBS-ZDUSSCGKSA-N 1 0 311.426 0.507 50 0 DCAARO Cc1cc(F)ccc1S(=O)(=O)NC[C@]1(O)CCC[NH2+]C1 ZINC000534658740 334315020 /nfs/dbraw/zinc/31/50/20/334315020.db2.gz SXSOAHVOXZAHMA-ZDUSSCGKSA-N 1 0 302.371 0.527 50 0 DCAARO CN(C)c1nc2c(c(N3CCO[C@@H](CC[NH3+])C3)n1)CCCC2 ZINC000534648635 334316798 /nfs/dbraw/zinc/31/67/98/334316798.db2.gz YGXNFQRHHVJBNN-LBPRGKRZSA-N 1 0 305.426 0.975 50 0 DCAARO Cc1ccc(S(=O)(=O)NC[C@@]2(O)CCC[NH2+]C2)cc1F ZINC000534673762 334321382 /nfs/dbraw/zinc/32/13/82/334321382.db2.gz CRZSMGSDYUBAJX-CYBMUJFWSA-N 1 0 302.371 0.527 50 0 DCAARO Cc1noc(C)c1CN1CC[C@@H]([NH2+]C2CCOCC2)[C@H](O)C1 ZINC000299780014 534357612 /nfs/dbraw/zinc/35/76/12/534357612.db2.gz AYTUAAQMRRWFHM-HZPDHXFCSA-N 1 0 309.410 0.995 50 0 DCAARO O=C(NCCOc1ccc(C(F)(F)F)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276626329 534380027 /nfs/dbraw/zinc/38/00/27/534380027.db2.gz JXWZQKCAMNFRKV-ZYHUDNBSSA-N 1 0 318.295 0.923 50 0 DCAARO O=C(NCCc1ccc(Br)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277602853 534445978 /nfs/dbraw/zinc/44/59/78/534445978.db2.gz QARAYBWMYOKEMO-NWDGAFQWSA-N 1 0 313.195 0.831 50 0 DCAARO Cc1cccc([C@@H](CC(=O)N2CC[NH2+][C@H](C)C2)NC(N)=O)c1 ZINC000299739383 534758631 /nfs/dbraw/zinc/75/86/31/534758631.db2.gz NUANDCLARUHJSG-TZMCWYRMSA-N 1 0 304.394 0.915 50 0 DCAARO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1S(N)(=O)=O ZINC000153965705 526261872 /nfs/dbraw/zinc/26/18/72/526261872.db2.gz FZVIJSIJFOLVLY-PHIMTYICSA-N 1 0 311.407 0.465 50 0 DCAARO CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299741204 528685660 /nfs/dbraw/zinc/68/56/60/528685660.db2.gz DRGBXXOMRLFTKY-UPJWGTAASA-N 1 0 306.362 0.398 50 0 DCAARO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285239519 535786220 /nfs/dbraw/zinc/78/62/20/535786220.db2.gz YPBNJFJCRPSWGE-INIZCTEOSA-N 1 0 323.368 0.096 50 0 DCAARO Nc1cc(N)[nH+]c(SCC(=O)NC(=O)NC2CCCC2)n1 ZINC000003524593 545641293 /nfs/dbraw/zinc/64/12/93/545641293.db2.gz GZLKESNNXUJBBF-UHFFFAOYSA-N 1 0 310.383 0.502 50 0 DCAARO CO[C@@H]1CC[N@H+](Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)C1 ZINC000670465559 547098824 /nfs/dbraw/zinc/09/88/24/547098824.db2.gz LKOJLVFEARDBKV-GFCCVEGCSA-N 1 0 301.346 0.848 50 0 DCAARO Nc1nc(NCCO)cc(-c2ccc(F)c3c2O[C@H](C[NH3+])C3)n1 ZINC000067674410 660889302 /nfs/dbraw/zinc/88/93/02/660889302.db2.gz NWMWTXFMZOZVOW-QMMMGPOBSA-N 1 0 319.340 0.531 50 0 DCAARO COCC[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000120824308 662360727 /nfs/dbraw/zinc/36/07/27/662360727.db2.gz RPDLNNRFFMWFAM-UHFFFAOYSA-N 1 0 302.378 0.687 50 0 DCAARO CCOC(=O)c1cnc(N[C@H]2CCC[N@H+](CCO)C2)nc1C ZINC000395241750 685269308 /nfs/dbraw/zinc/26/93/08/685269308.db2.gz QILKLSQMENXUPU-LBPRGKRZSA-N 1 0 308.382 0.830 50 0 DCAARO Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952969780 685599011 /nfs/dbraw/zinc/59/90/11/685599011.db2.gz QGSXNAQAQDGJBC-GWCFXTLKSA-N 1 0 321.425 0.411 50 0 DCAARO CC[C@@H](CNC(=O)/C=C/c1cnc(N)nc1)[NH+]1CCN(C)CC1 ZINC000952975104 685599741 /nfs/dbraw/zinc/59/97/41/685599741.db2.gz YBNUPZBBBIEZLC-NNTXTVRGSA-N 1 0 318.425 0.214 50 0 DCAARO CCc1nc(S(=O)(=O)N(C)C[C@@]2(C)CC[N@H+](C)C2)c[nH]1 ZINC000952975905 685599849 /nfs/dbraw/zinc/59/98/49/685599849.db2.gz XZYZEUXZCGHDQG-ZDUSSCGKSA-N 1 0 300.428 0.934 50 0 DCAARO O=c1cc(N2CC[NH2+]CC2)cnn1CCOCc1ccccc1 ZINC000020540310 685051540 /nfs/dbraw/zinc/05/15/40/685051540.db2.gz ITYSYFKWRFKYJH-UHFFFAOYSA-N 1 0 314.389 0.870 50 0 DCAARO Cc1nn(C)c2nc(C)nc(N[C@H]3C[N@H+](C(C)C)C[C@@H]3O)c12 ZINC000072469746 685074910 /nfs/dbraw/zinc/07/49/10/685074910.db2.gz IDWXQYZIEPWMNJ-RYUDHWBXSA-N 1 0 304.398 0.846 50 0 DCAARO O=S(=O)(c1ccc(Cl)s1)N1C[C@@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772701983 1157841525 /nfs/dbraw/zinc/84/15/25/1157841525.db2.gz CRSQVKRSLKHZBQ-KWQFWETISA-N 1 0 322.839 0.604 50 0 DCAARO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4[C@@H](O)[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5 ZINC000095100017 1175759006 /nfs/dbraw/zinc/75/90/06/1175759006.db2.gz ISVKWTNAIRJURI-ZJHBXPJKSA-N 1 0 301.342 0.689 50 0 DCAARO CN(C)c1nc(N)cc(N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)n1 ZINC001704312293 1179969330 /nfs/dbraw/zinc/96/93/30/1179969330.db2.gz OWDCBUPWJJLYGJ-MLGOLLRUSA-N 1 0 320.441 0.408 50 0 DCAARO C[N@H+](CCCOc1ccc(C(N)=O)cc1)C[C@@H]1COCCO1 ZINC001704347195 1179981823 /nfs/dbraw/zinc/98/18/23/1179981823.db2.gz JFQYAIKXKMJCIC-OAHLLOKOSA-N 1 0 308.378 0.902 50 0 DCAARO Cc1cc(C)[nH+]c(N2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)c1 ZINC001704352339 1179983178 /nfs/dbraw/zinc/98/31/78/1179983178.db2.gz CXYSTIUCDQNVNG-QWHCGFSZSA-N 1 0 313.423 0.387 50 0 DCAARO