smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@@H+](Cc1ccc(C)cc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011843682 818125688 /nfs/dbraw/zinc/12/56/88/818125688.db2.gz UBSCJUJZJSQLST-UHFFFAOYSA-N 2 0 396.575 4.364 50 0 GIAARP C[NH+](C)/C=C/C=C/C=C/C(=O)c1ccc(C(=O)/C=C/C=C/C=C/[NH+](C)C)cc1 ZINC000022339692 818794363 /nfs/dbraw/zinc/79/43/63/818794363.db2.gz HSIDCLMNQOASOK-NQXGLPJSSA-N 2 0 376.500 4.427 50 0 GIAARP CCC[NH+]1CCC([C@H](Cc2ccccc2)[N@H+](CCOC)Cc2cccnc2)CC1 ZINC000012152881 204376853 /nfs/dbraw/zinc/37/68/53/204376853.db2.gz GDZOTZSCUGVPOS-VWLOTQADSA-N 2 0 395.591 4.263 50 0 GIAARP Cc1ccccc1C[NH2+]Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012303158 204393321 /nfs/dbraw/zinc/39/33/21/204393321.db2.gz UAXARCAQPDXBCZ-DEOSSOPVSA-N 2 0 396.575 4.289 50 0 GIAARP COCC[N@@H+](Cc1ccc(C)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055134351 206209804 /nfs/dbraw/zinc/20/98/04/206209804.db2.gz BWWAZZFGIUUWGC-HSZRJFAPSA-N 2 0 392.587 4.323 50 0 GIAARP CC[NH+]1CCN(c2nc3cc(OC)ccc3cc2C[NH2+]CC2CCCCC2)CC1 ZINC000011813746 221126408 /nfs/dbraw/zinc/12/64/08/221126408.db2.gz OLVSHFWKRUFNSX-UHFFFAOYSA-N 2 0 396.579 4.055 50 0 GIAARP CCc1nccc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](CC)C3)n1 ZINC000096136330 570212041 /nfs/dbraw/zinc/21/20/41/570212041.db2.gz RWORHLQPMIVPCJ-NRFANRHFSA-N 2 0 378.564 4.131 50 0 GIAARP CCn1c[n+](C[n+]2cn(CC)c3ccc(Cl)cc32)c2cc(Cl)ccc21 ZINC000000827771 570485991 /nfs/dbraw/zinc/48/59/91/570485991.db2.gz KGERYIORLWPQPH-UHFFFAOYSA-N 2 0 375.303 4.023 50 0 GIAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2OC)CC1 ZINC000012612536 570690672 /nfs/dbraw/zinc/69/06/72/570690672.db2.gz HYTJVKBUSIMSTE-UHFFFAOYSA-N 2 0 382.548 4.090 50 0 GIAARP CCn1c[n+](CC[n+]2cn(CC)c3ccc(Cl)cc32)c2cc(Cl)ccc21 ZINC000000891042 570708987 /nfs/dbraw/zinc/70/89/87/570708987.db2.gz FDWPKTHIUBPYRX-UHFFFAOYSA-N 2 0 389.330 4.218 50 0 GIAARP COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2[nH]cnc2C)CC(C)C)CC1 ZINC000011663560 818106783 /nfs/dbraw/zinc/10/67/83/818106783.db2.gz TWCLWEZGYZSHGP-UHFFFAOYSA-N 2 0 384.568 4.097 50 0 GIAARP O[C@H](COc1cccc(C[NH2+]C2(c3ccccc3)CC2)c1)C[NH+]1CCCCCC1 ZINC000012584708 818168398 /nfs/dbraw/zinc/16/83/98/818168398.db2.gz MTNACMIDNZSNES-QHCPKHFHSA-N 2 0 394.559 4.081 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)C3CCN(Cc4ccccc4)CC3)CC2)o1 ZINC000012749743 818180568 /nfs/dbraw/zinc/18/05/68/818180568.db2.gz LWPPXRWSIWDYOB-UHFFFAOYSA-N 2 0 395.591 4.396 50 0 GIAARP c1ccc(C[NH+]2CCC(N3CCC([N@@H+]4CCc5ccccc5C4)CC3)CC2)cc1 ZINC000004271440 204036017 /nfs/dbraw/zinc/03/60/17/204036017.db2.gz NHFCEWHZPAEOOB-UHFFFAOYSA-N 2 0 389.587 4.174 50 0 GIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000011878270 204358703 /nfs/dbraw/zinc/35/87/03/204358703.db2.gz IWVCURSWBVAHAV-NRFANRHFSA-N 2 0 397.563 4.026 50 0 GIAARP C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876527 570283463 /nfs/dbraw/zinc/28/34/63/570283463.db2.gz LTLHJFMZLAYDGP-UHFFFAOYSA-N 2 0 397.744 4.381 50 0 GIAARP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000130156535 570463797 /nfs/dbraw/zinc/46/37/97/570463797.db2.gz BYPYATDQXAQMJQ-OALUTQOASA-N 2 0 379.589 4.209 50 0 GIAARP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000013511869 570849705 /nfs/dbraw/zinc/84/97/05/570849705.db2.gz OBUCWJVKGWIGLC-DFIYOIEZSA-N 2 0 396.575 4.482 50 0 GIAARP Cc1nc2c(s1)[C@H]([NH+]1CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC1)CCC2 ZINC000170602812 570861601 /nfs/dbraw/zinc/86/16/01/570861601.db2.gz BKPWTQHTQNDHHJ-JXXFODFXSA-N 2 0 377.598 4.040 50 0 GIAARP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)C[C@H]2CCCO2)CC1 ZINC000011937915 818129863 /nfs/dbraw/zinc/12/98/63/818129863.db2.gz RGGAXXZMVUXABJ-HSZRJFAPSA-N 2 0 397.538 4.114 50 0 GIAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]Cc2ccsc2)c1)C1CCCCC1 ZINC000012386503 818156462 /nfs/dbraw/zinc/15/64/62/818156462.db2.gz YKNXGFCZBADCIE-NRFANRHFSA-N 2 0 388.577 4.042 50 0 GIAARP O=C(C1CCCC1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014949827 818279216 /nfs/dbraw/zinc/27/92/16/818279216.db2.gz ZZUYRNWRMXJYSM-OAQYLSRUSA-N 2 0 389.628 4.146 50 0 GIAARP CCC[NH+]1CCC([C@H](Cc2ccccc2)[N@H+](CCOC)Cc2ccccn2)CC1 ZINC000014979939 818280176 /nfs/dbraw/zinc/28/01/76/818280176.db2.gz BZCCUZYWQOLLSS-VWLOTQADSA-N 2 0 395.591 4.263 50 0 GIAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2cc(C)c(C)cc2C)CC1 ZINC000011820469 204354784 /nfs/dbraw/zinc/35/47/84/204354784.db2.gz AUYSAFKPZXCKFD-UHFFFAOYSA-N 2 0 395.591 4.367 50 0 GIAARP C/C=C(\C)C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011934832 204362587 /nfs/dbraw/zinc/36/25/87/204362587.db2.gz JIMSUIGMIDNZQY-FMIXMDLBSA-N 2 0 382.592 4.313 50 0 GIAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)C[C@H]2CCOC2)CC1 ZINC000012449022 204411947 /nfs/dbraw/zinc/41/19/47/204411947.db2.gz BGENJWYPYQMFEZ-XMMPIXPASA-N 2 0 393.575 4.141 50 0 GIAARP COc1ccc(CC[N@@H+](Cc2cc(CC(C)C)n[nH]2)CC2CC[NH+](C)CC2)cc1 ZINC000012204358 204382694 /nfs/dbraw/zinc/38/26/94/204382694.db2.gz AADCHQMKVYLICV-UHFFFAOYSA-N 2 0 398.595 4.003 50 0 GIAARP CCOc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OCc1cccc(Cl)c1 ZINC000040720272 205070171 /nfs/dbraw/zinc/07/01/71/205070171.db2.gz AYMCQHFOSKVSID-UHFFFAOYSA-N 2 0 388.939 4.407 50 0 GIAARP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@@H]4c4ccccc4)[C@H]3C2)cc1 ZINC000252513115 570477702 /nfs/dbraw/zinc/47/77/02/570477702.db2.gz XJVSDCMEXSTBLQ-KFEALIJWSA-N 2 0 376.544 4.264 50 0 GIAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cc(C)c(O)c(C)c3)C2)cc1 ZINC000014971891 570868070 /nfs/dbraw/zinc/86/80/70/570868070.db2.gz HPAMTKGDMBICGY-QFIPXVFZSA-N 2 0 396.575 4.404 50 0 GIAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccncc2)C[C@@H]2CCCO2)CC1 ZINC000095497837 571074853 /nfs/dbraw/zinc/07/48/53/571074853.db2.gz QLMSLHMFEXHBQC-VWLOTQADSA-N 2 0 393.575 4.283 50 0 GIAARP O[C@H](COc1cccc(C[NH2+]CCCc2ccccc2)c1)C[NH+]1CCCCCC1 ZINC000011713530 818112108 /nfs/dbraw/zinc/11/21/08/818112108.db2.gz HBBBLPHACUVGDC-DEOSSOPVSA-N 2 0 396.575 4.025 50 0 GIAARP C[NH+](C)CCCOc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c1 ZINC000014965488 818279978 /nfs/dbraw/zinc/27/99/78/818279978.db2.gz MOQYOPGLHUTWNL-VWLOTQADSA-N 2 0 399.623 4.105 50 0 GIAARP C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008377040 204274643 /nfs/dbraw/zinc/27/46/43/204274643.db2.gz OXJKMPVNBYJJOB-UHFFFAOYSA-N 2 0 383.319 4.280 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3c[nH]nc3-c3cccc(F)c3)CC2)o1 ZINC000011661199 204347332 /nfs/dbraw/zinc/34/73/32/204347332.db2.gz FKOZZRWPMCYYJJ-UHFFFAOYSA-N 2 0 396.510 4.461 50 0 GIAARP Cc1cc(C)n(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)n1 ZINC000011878454 204359725 /nfs/dbraw/zinc/35/97/25/204359725.db2.gz QCOXWDIPXPFLED-XMMPIXPASA-N 2 0 380.580 4.187 50 0 GIAARP COc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012054147 204369508 /nfs/dbraw/zinc/36/95/08/204369508.db2.gz WEWHKOOHXDPLAS-DEOSSOPVSA-N 2 0 386.580 4.331 50 0 GIAARP FC(F)(F)CCC[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012208644 204383393 /nfs/dbraw/zinc/38/33/93/204383393.db2.gz BEQNGHIJGIHRMN-LJQANCHMSA-N 2 0 376.507 4.465 50 0 GIAARP Cc1cc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000095502787 136179833 /nfs/dbraw/zinc/17/98/33/136179833.db2.gz NDBNLELSKODXTG-UHFFFAOYSA-N 2 0 377.536 4.075 50 0 GIAARP Cc1cc(C2[N+](=O)C(C)(C)C(c3ccc(F)c(C)c3)[N+](=O)C2(C)C)ccc1F ZINC000007813378 204253115 /nfs/dbraw/zinc/25/31/15/204253115.db2.gz ALVIBWDAGMKSDK-UHFFFAOYSA-N 2 0 386.442 4.451 50 0 GIAARP CC(=O)Nc1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000047721621 205111661 /nfs/dbraw/zinc/11/16/61/205111661.db2.gz VIVBXINZMNMIBM-KDURUIRLSA-N 2 0 379.548 4.413 50 0 GIAARP CCn1cc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000055211112 205145182 /nfs/dbraw/zinc/14/51/82/205145182.db2.gz JJTCTBXUFSYMMQ-UHFFFAOYSA-N 2 0 395.595 4.263 50 0 GIAARP C[N@@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCC[NH2+]C3)C1 ZINC000299762757 206186357 /nfs/dbraw/zinc/18/63/57/206186357.db2.gz AKIKUCUYSASDCP-INIZCTEOSA-N 2 0 386.923 4.210 50 0 GIAARP CCOC(=O)/C=C/c1ccc([C@@H]2CCC[N@@H+]2CCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000097447448 570244555 /nfs/dbraw/zinc/24/45/55/570244555.db2.gz CFOIYFNSIAUVFH-JIWMQAFSSA-N 2 0 390.527 4.246 50 0 GIAARP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000130156773 570464149 /nfs/dbraw/zinc/46/41/49/570464149.db2.gz BYPYATDQXAQMJQ-RTBURBONSA-N 2 0 379.589 4.209 50 0 GIAARP CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3OC)C2)cc1 ZINC000012457528 570669717 /nfs/dbraw/zinc/66/97/17/570669717.db2.gz GTDXNKFENBFSPG-JOCHJYFZSA-N 2 0 396.575 4.480 50 0 GIAARP COc1ccc(CC[N@@H+](Cc2ccc(OC)c(C)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012714811 570703713 /nfs/dbraw/zinc/70/37/13/570703713.db2.gz RZDGFGWLBSCLJC-UHFFFAOYSA-N 2 0 396.575 4.399 50 0 GIAARP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252458602 570959645 /nfs/dbraw/zinc/95/96/45/570959645.db2.gz WKBHDOVBMYDMIV-GCJKJVERSA-N 2 0 397.588 4.054 50 0 GIAARP c1nc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cs1 ZINC000095525530 571090504 /nfs/dbraw/zinc/09/05/04/571090504.db2.gz GTQRHILEUOKADP-FQEVSTJZSA-N 2 0 390.641 4.086 50 0 GIAARP COCC[N@H+](CCc1ccccc1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012303475 818153706 /nfs/dbraw/zinc/15/37/06/818153706.db2.gz ZQKZLVQOAXZMFZ-UHFFFAOYSA-N 2 0 384.539 4.229 50 0 GIAARP CCCCc1ncc(C[N@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)[nH]1 ZINC000012317871 818154267 /nfs/dbraw/zinc/15/42/67/818154267.db2.gz ZBWLYYNUNQQXBQ-UHFFFAOYSA-N 2 0 398.595 4.147 50 0 GIAARP O=C(C1CCCC1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014949830 818278907 /nfs/dbraw/zinc/27/89/07/818278907.db2.gz ZZUYRNWRMXJYSM-NRFANRHFSA-N 2 0 389.628 4.146 50 0 GIAARP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CSCCSC4)C3)C2)c1 ZINC000015073147 818287651 /nfs/dbraw/zinc/28/76/51/818287651.db2.gz UUXVAYZRCVOPFK-NRFANRHFSA-N 2 0 376.635 4.132 50 0 GIAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662018 204348712 /nfs/dbraw/zinc/34/87/12/204348712.db2.gz PYLLKFZVPVVKEW-QFIPXVFZSA-N 2 0 382.548 4.090 50 0 GIAARP C[N@@H+](Cc1nc(-c2ccccc2)no1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000011842795 204357488 /nfs/dbraw/zinc/35/74/88/204357488.db2.gz NYFKAYWGJWQUGD-UHFFFAOYSA-N 2 0 376.504 4.081 50 0 GIAARP COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2nc(C)c[nH]2)CC(C)C)CC1 ZINC000012316712 204396116 /nfs/dbraw/zinc/39/61/16/204396116.db2.gz NTVNGIAYMYDDOI-UHFFFAOYSA-N 2 0 384.568 4.097 50 0 GIAARP CCOc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)c1 ZINC000055228093 205144562 /nfs/dbraw/zinc/14/45/62/205144562.db2.gz AULWIBKLWNFNDA-HSZRJFAPSA-N 2 0 396.575 4.480 50 0 GIAARP CCOc1cc(C[N@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)ccc1OC ZINC000012073281 221146862 /nfs/dbraw/zinc/14/68/62/221146862.db2.gz KIIFGEFMMLRAPS-UHFFFAOYSA-N 2 0 396.575 4.480 50 0 GIAARP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012744683 570707553 /nfs/dbraw/zinc/70/75/53/570707553.db2.gz CDAIBHINCKYILG-QHCPKHFHSA-N 2 0 396.575 4.480 50 0 GIAARP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012744686 570707635 /nfs/dbraw/zinc/70/76/35/570707635.db2.gz CDAIBHINCKYILG-HSZRJFAPSA-N 2 0 396.575 4.480 50 0 GIAARP CCOc1ccccc1C[N@H+](CCc1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC000012314538 818154301 /nfs/dbraw/zinc/15/43/01/818154301.db2.gz LUDXJMRSFOJUGI-UHFFFAOYSA-N 2 0 396.575 4.480 50 0 GIAARP COCC[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012701499 818176961 /nfs/dbraw/zinc/17/69/61/818176961.db2.gz PWIUYPAQUKDMRO-UHFFFAOYSA-N 2 0 382.548 4.056 50 0 GIAARP CCC[NH+]1CCC([C@@H](Cc2ccccc2)[N@H+](CCOC)Cc2ccccn2)CC1 ZINC000014979937 818279795 /nfs/dbraw/zinc/27/97/95/818279795.db2.gz BZCCUZYWQOLLSS-RUZDIDTESA-N 2 0 395.591 4.263 50 0 GIAARP c1csc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000020351547 818619130 /nfs/dbraw/zinc/61/91/30/818619130.db2.gz KPUDEEASWJLVHD-HXUWFJFHSA-N 2 0 390.641 4.086 50 0 GIAARP CCOc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OCc1ccc(Cl)cc1 ZINC000010434564 204335169 /nfs/dbraw/zinc/33/51/69/204335169.db2.gz RGIGIIQSTFEXIK-UHFFFAOYSA-N 2 0 388.939 4.407 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3nccn3-c3cccc(C)c3)CC2)o1 ZINC000012305499 204393129 /nfs/dbraw/zinc/39/31/29/204393129.db2.gz GFQNDNAKGUVHBE-UHFFFAOYSA-N 2 0 392.547 4.426 50 0 GIAARP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804076 205135504 /nfs/dbraw/zinc/13/55/04/205135504.db2.gz WKBHDOVBMYDMIV-PGRDOPGGSA-N 2 0 397.588 4.054 50 0 GIAARP COCC[N@H+](CCc1ccccc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000015076690 205356621 /nfs/dbraw/zinc/35/66/21/205356621.db2.gz DJTUYQGHBQFPFG-QHCPKHFHSA-N 2 0 392.587 4.057 50 0 GIAARP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)C[NH+](C1CCCC1)C2 ZINC000065239006 222113821 /nfs/dbraw/zinc/11/38/21/222113821.db2.gz UGTKQLRVASOEQY-MRXNPFEDSA-N 2 0 375.582 4.001 50 0 GIAARP c1cc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)ccn1 ZINC000023374928 570358246 /nfs/dbraw/zinc/35/82/46/570358246.db2.gz JQBQASLHBISGQA-HSZRJFAPSA-N 2 0 384.612 4.024 50 0 GIAARP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000130156309 570464181 /nfs/dbraw/zinc/46/41/81/570464181.db2.gz BYPYATDQXAQMJQ-RBUKOAKNSA-N 2 0 379.589 4.209 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cn(C)nc3-c3ccccc3)CC2)o1 ZINC000012477075 570673685 /nfs/dbraw/zinc/67/36/85/570673685.db2.gz JZXPBGDVHKFFME-UHFFFAOYSA-N 2 0 392.547 4.333 50 0 GIAARP CC(=O)Nc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)cc1 ZINC000014975671 570868563 /nfs/dbraw/zinc/86/85/63/570868563.db2.gz RKSDVDMDUOHFCA-HSZRJFAPSA-N 2 0 393.575 4.340 50 0 GIAARP Nc1cc[nH+]c2ccc(-c3cccc(C(=O)NCC[NH+]4CCCCCC4)c3)cc12 ZINC000534673717 570921700 /nfs/dbraw/zinc/92/17/00/570921700.db2.gz PYYXVCLJFSUGSA-UHFFFAOYSA-N 2 0 388.515 4.090 50 0 GIAARP c1nc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cs1 ZINC000095525531 571090646 /nfs/dbraw/zinc/09/06/46/571090646.db2.gz GTQRHILEUOKADP-HXUWFJFHSA-N 2 0 390.641 4.086 50 0 GIAARP C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012587876 818168611 /nfs/dbraw/zinc/16/86/11/818168611.db2.gz POYCNIFPBFQXEL-OAQYLSRUSA-N 2 0 382.523 4.147 50 0 GIAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2cccc(SC)c2)CC1 ZINC000055199066 205146285 /nfs/dbraw/zinc/14/62/85/205146285.db2.gz KOAJFYJPNSQBJF-UHFFFAOYSA-N 2 0 399.604 4.164 50 0 GIAARP COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000124150849 206209243 /nfs/dbraw/zinc/20/92/43/206209243.db2.gz ODLJPHKPEOOBID-HSZRJFAPSA-N 2 0 395.547 4.039 50 0 GIAARP Cc1cc(N2CCC3(CCC[N@@H+]3Cc3ccc(CO)o3)CC2)c2ccccc2[nH+]1 ZINC000072428647 136169987 /nfs/dbraw/zinc/16/99/87/136169987.db2.gz FEMPVCBXWJVDAD-UHFFFAOYSA-N 2 0 391.515 4.264 50 0 GIAARP Cc1cccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000020910549 570284143 /nfs/dbraw/zinc/28/41/43/570284143.db2.gz PJQQKJZWRNQLII-HSZRJFAPSA-N 2 0 398.639 4.333 50 0 GIAARP CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)cc1 ZINC000012596832 570689697 /nfs/dbraw/zinc/68/96/97/570689697.db2.gz ZSRCUIUSMMQNNW-QHCPKHFHSA-N 2 0 396.575 4.480 50 0 GIAARP COCc1cc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)ccc1OC ZINC000012754599 570710293 /nfs/dbraw/zinc/71/02/93/570710293.db2.gz CBBYAZYQZXRFKJ-UHFFFAOYSA-N 2 0 386.536 4.087 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3c[nH]nc3-c3ccccc3)CC2)o1 ZINC000015077828 570879015 /nfs/dbraw/zinc/87/90/15/570879015.db2.gz LNLBYXUJDWZZPV-UHFFFAOYSA-N 2 0 378.520 4.322 50 0 GIAARP Cc1ccccc1CC[NH+]1CCC(C[N@@H+](Cc2cncn2C)C2CCCC2)CC1 ZINC000095525338 571090014 /nfs/dbraw/zinc/09/00/14/571090014.db2.gz XYHBRPWIQMKYGB-UHFFFAOYSA-N 2 0 394.607 4.428 50 0 GIAARP C[NH+]1CCC(C[N@H+](CCc2ccccc2)Cc2ccc3nsnc3c2)CC1 ZINC000011817642 818124104 /nfs/dbraw/zinc/12/41/04/818124104.db2.gz MFNSAAYPAXGEAH-UHFFFAOYSA-N 2 0 380.561 4.078 50 0 GIAARP CCC[NH+]1CCC([C@@H](Cc2ccccc2)[N@H+](CCOC)Cc2cccnc2)CC1 ZINC000012152880 818144120 /nfs/dbraw/zinc/14/41/20/818144120.db2.gz GDZOTZSCUGVPOS-RUZDIDTESA-N 2 0 395.591 4.263 50 0 GIAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)CC1 ZINC000055195767 822944851 /nfs/dbraw/zinc/94/48/51/822944851.db2.gz SCCNXFUWAWXNHD-UHFFFAOYSA-N 2 0 387.955 4.096 50 0 GIAARP C[N@@H+](Cc1ccc2nsnc2c1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000014948259 207032916 /nfs/dbraw/zinc/03/29/16/207032916.db2.gz HPBCDPQIHSHKQG-LJQANCHMSA-N 2 0 398.551 4.217 50 0 GIAARP c1cc([C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)nc(SCC[NH+]2CCCC2)n1 ZINC000014958804 207034147 /nfs/dbraw/zinc/03/41/47/207034147.db2.gz SPRVECQWUVNPFJ-PMACEKPBSA-N 2 0 386.609 4.200 50 0 GIAARP CC1(C)CC(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000014965805 207035631 /nfs/dbraw/zinc/03/56/31/207035631.db2.gz QRSIBIYEYDCZEF-HXUWFJFHSA-N 2 0 377.617 4.094 50 0 GIAARP c1ccc(CC[NH+]2CCC(N3CC[N@@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)CC2)cc1 ZINC000022078494 207246258 /nfs/dbraw/zinc/24/62/58/207246258.db2.gz UFVFYWFHQFROLA-FTJBHMTQSA-N 2 0 395.635 4.422 50 0 GIAARP C[NH+](C)Cc1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)o1 ZINC000299795134 209091503 /nfs/dbraw/zinc/09/15/03/209091503.db2.gz NXEJXJVRNYRALC-OTWHNJEPSA-N 2 0 378.476 4.084 50 0 GIAARP Cc1nc[nH]c1C[N@@H+]1CCCC12CCN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000072418898 136169736 /nfs/dbraw/zinc/16/97/36/136169736.db2.gz VNBCSUZPDVUNRM-UHFFFAOYSA-N 2 0 375.520 4.210 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cccn3-c3nccs3)CC2)o1 ZINC000011879303 570591211 /nfs/dbraw/zinc/59/12/11/570591211.db2.gz HRBKZBOAHXKRGI-UHFFFAOYSA-N 2 0 384.549 4.179 50 0 GIAARP COc1ccc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(F)c1 ZINC000012303405 570637634 /nfs/dbraw/zinc/63/76/34/570637634.db2.gz AUDAPJSJVSDMCR-UHFFFAOYSA-N 2 0 388.502 4.360 50 0 GIAARP Cc1cccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n1 ZINC000055269626 570689081 /nfs/dbraw/zinc/68/90/81/570689081.db2.gz CPWOGQNJSDYFOP-UHFFFAOYSA-N 2 0 378.564 4.442 50 0 GIAARP CCOc1ccccc1C[N@H+](C)CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000012836714 570723501 /nfs/dbraw/zinc/72/35/01/570723501.db2.gz CTJUCPGPYJZYHC-UHFFFAOYSA-N 2 0 396.575 4.480 50 0 GIAARP COCC[N@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C[C@@H]1CC=CCC1 ZINC000012596172 570884481 /nfs/dbraw/zinc/88/44/81/570884481.db2.gz AKTWKXGFVSIHBR-OAQYLSRUSA-N 2 0 386.580 4.212 50 0 GIAARP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804078 570923211 /nfs/dbraw/zinc/92/32/11/570923211.db2.gz WKBHDOVBMYDMIV-XMSQKQJNSA-N 2 0 397.588 4.054 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3nc4ccccc4nc3C)CC2)o1 ZINC000014954145 818278984 /nfs/dbraw/zinc/27/89/84/818278984.db2.gz DIMHHUGLMMLCAT-UHFFFAOYSA-N 2 0 378.520 4.184 50 0 GIAARP c1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)co1 ZINC000011950743 206226187 /nfs/dbraw/zinc/22/61/87/206226187.db2.gz KNAFGVAUXVWJMA-RUZDIDTESA-N 2 0 394.559 4.140 50 0 GIAARP C[N@H+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C[C@@H]1CCOC(C)(C)C1 ZINC000014964572 207035145 /nfs/dbraw/zinc/03/51/45/207035145.db2.gz YOPUQFPHVIAKLZ-OAQYLSRUSA-N 2 0 376.560 4.217 50 0 GIAARP Fc1ccc(N2CCC([N@@H+]3CC[C@@]4(C3)CCC[NH+](CC3CCC3)C4)CC2)cc1 ZINC000012318212 207287040 /nfs/dbraw/zinc/28/70/40/207287040.db2.gz BEKWYHCPSWYJFG-DEOSSOPVSA-N 2 0 385.571 4.383 50 0 GIAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cncn3C3CC3)CC2)C1 ZINC000091475787 208119755 /nfs/dbraw/zinc/11/97/55/208119755.db2.gz RTAWXQVWDLELGP-OAQYLSRUSA-N 2 0 378.564 4.310 50 0 GIAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cncn3C3CC3)CC2)C1 ZINC000091475791 208120492 /nfs/dbraw/zinc/12/04/92/208120492.db2.gz RTAWXQVWDLELGP-NRFANRHFSA-N 2 0 378.564 4.310 50 0 GIAARP O=C(CC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)s2)C1)NC1CC1 ZINC000012004724 570598329 /nfs/dbraw/zinc/59/83/29/570598329.db2.gz JJVRWNDRNICFFU-GOSISDBHSA-N 2 0 389.609 4.005 50 0 GIAARP CC(=O)c1cc(C[N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cs1 ZINC000012709504 570701710 /nfs/dbraw/zinc/70/17/10/570701710.db2.gz LWRQRSMXUOEAEX-UHFFFAOYSA-N 2 0 388.552 4.476 50 0 GIAARP Cc1nc2c(s1)[C@H]([NH+]1CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)CCC2 ZINC000170602810 570861961 /nfs/dbraw/zinc/86/19/61/570861961.db2.gz BKPWTQHTQNDHHJ-GQIGUUNPSA-N 2 0 377.598 4.040 50 0 GIAARP COCC[N@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C[C@H]1CC=CCC1 ZINC000012596168 570884535 /nfs/dbraw/zinc/88/45/35/570884535.db2.gz AKTWKXGFVSIHBR-NRFANRHFSA-N 2 0 386.580 4.212 50 0 GIAARP CC(C)CC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012752267 818180714 /nfs/dbraw/zinc/18/07/14/818180714.db2.gz PDTZBEIXUHRLPZ-OAQYLSRUSA-N 2 0 377.617 4.002 50 0 GIAARP COC(=O)CC[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1[NH+](C)C ZINC000014998736 207039793 /nfs/dbraw/zinc/03/97/93/207039793.db2.gz IJSYVHHGDCWUMF-LADGPHEKSA-N 2 0 394.559 4.024 50 0 GIAARP Fc1ccc(N2CCC([N@@H+]3CC[C@]4(C3)CCC[NH+](CC3CCC3)C4)CC2)cc1 ZINC000012318210 207288161 /nfs/dbraw/zinc/28/81/61/207288161.db2.gz BEKWYHCPSWYJFG-XMMPIXPASA-N 2 0 385.571 4.383 50 0 GIAARP CCOc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OCc1ccccc1Cl ZINC000040719324 207603232 /nfs/dbraw/zinc/60/32/32/207603232.db2.gz MJQWLRKKVZODMN-UHFFFAOYSA-N 2 0 388.939 4.407 50 0 GIAARP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)CC1 ZINC000023153285 526411109 /nfs/dbraw/zinc/41/11/09/526411109.db2.gz YYHOCWSFGWTSMB-QHCPKHFHSA-N 2 0 397.538 4.114 50 0 GIAARP C[NH+](C)CCC[NH2+]CC[C@@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 ZINC000006754882 570492093 /nfs/dbraw/zinc/49/20/93/570492093.db2.gz OJCYXHBQKMVYAZ-HXUWFJFHSA-N 2 0 386.502 4.464 50 0 GIAARP Cc1ccccc1C[NH2+]Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012303157 570637156 /nfs/dbraw/zinc/63/71/56/570637156.db2.gz UAXARCAQPDXBCZ-XMMPIXPASA-N 2 0 396.575 4.289 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cnn(-c4ccccc4F)c3)CC2)o1 ZINC000012372895 570648215 /nfs/dbraw/zinc/64/82/15/570648215.db2.gz YTOTYMZIRNPUHH-UHFFFAOYSA-N 2 0 396.510 4.257 50 0 GIAARP Cc1nc2c(s1)[C@@H]([NH+]1CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)CCC2 ZINC000170602811 570861860 /nfs/dbraw/zinc/86/18/60/570861860.db2.gz BKPWTQHTQNDHHJ-YRNRMSPPSA-N 2 0 377.598 4.040 50 0 GIAARP O[C@@H](COc1cccc(C[NH2+]C2(c3ccccc3)CC2)c1)C[NH+]1CCCCCC1 ZINC000012584701 818168511 /nfs/dbraw/zinc/16/85/11/818168511.db2.gz MTNACMIDNZSNES-HSZRJFAPSA-N 2 0 394.559 4.081 50 0 GIAARP CC1(C)CC(CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000014965809 207034926 /nfs/dbraw/zinc/03/49/26/207034926.db2.gz QRSIBIYEYDCZEF-FQEVSTJZSA-N 2 0 377.617 4.094 50 0 GIAARP CC1(C)CC([NH2+]CCCCCC[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000019202667 207106702 /nfs/dbraw/zinc/10/67/02/207106702.db2.gz UKJARPDLRWBRAX-UHFFFAOYSA-N 4 0 394.692 4.344 50 0 GIAARP O[C@H](CC[NH+]1CCCCCC1)c1ccc([C@@H](O)CC[NH+]2CCCCCC2)cc1 ZINC000004729704 208545748 /nfs/dbraw/zinc/54/57/48/208545748.db2.gz QHCZNMCBCSOTAT-PSWAGMNNSA-N 2 0 388.596 4.286 50 0 GIAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879910 570591057 /nfs/dbraw/zinc/59/10/57/570591057.db2.gz LLZAZGGWTAUFPP-QFIPXVFZSA-N 2 0 382.548 4.090 50 0 GIAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccccc2c1Cl ZINC000058248638 570723242 /nfs/dbraw/zinc/72/32/42/570723242.db2.gz KZBJLMLJCSCULO-OAHLLOKOSA-N 2 0 393.984 4.043 50 0 GIAARP COc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012055073 570957145 /nfs/dbraw/zinc/95/71/45/570957145.db2.gz YZQDFEMCBPPWKU-DEOSSOPVSA-N 2 0 386.580 4.331 50 0 GIAARP Cc1ccccc1CC[NH+]1CCC(C[N@H+](Cc2ncc[nH]2)C2CCCC2)CC1 ZINC000012316507 818154579 /nfs/dbraw/zinc/15/45/79/818154579.db2.gz FKCGIONKVLMFEH-UHFFFAOYSA-N 2 0 380.580 4.417 50 0 GIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)C[C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000015065977 818286538 /nfs/dbraw/zinc/28/65/38/818286538.db2.gz WLHCCBDUKNXBSD-JOCHJYFZSA-N 2 0 388.596 4.087 50 0 GIAARP Oc1cccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000020202903 818616739 /nfs/dbraw/zinc/61/67/39/818616739.db2.gz FCCSUHWPGVMJLG-HSZRJFAPSA-N 2 0 399.623 4.335 50 0 GIAARP C[C@@H](c1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)cc1)[NH+]1CCOCC1 ZINC000426689134 231252768 /nfs/dbraw/zinc/25/27/68/231252768.db2.gz HTQDRGWJUCJZEH-FQEVSTJZSA-N 2 0 380.532 4.221 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(-n4cccn4)cc3)CC2)o1 ZINC000014977764 207037233 /nfs/dbraw/zinc/03/72/33/207037233.db2.gz PBJCNQFMLGWULJ-UHFFFAOYSA-N 2 0 378.520 4.118 50 0 GIAARP CSc1ccc(C[NH+]2CCC(N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019885508 207167554 /nfs/dbraw/zinc/16/75/54/207167554.db2.gz LNDFKUDZKHXSHK-UHFFFAOYSA-N 2 0 395.616 4.191 50 0 GIAARP C[N@@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCC[NH2+]C3)C1 ZINC000299762760 209083770 /nfs/dbraw/zinc/08/37/70/209083770.db2.gz AKIKUCUYSASDCP-MRXNPFEDSA-N 2 0 386.923 4.210 50 0 GIAARP CC(=O)Nc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000047721623 570214415 /nfs/dbraw/zinc/21/44/15/570214415.db2.gz VIVBXINZMNMIBM-OALUTQOASA-N 2 0 379.548 4.413 50 0 GIAARP CC(=O)Nc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000047721625 570214471 /nfs/dbraw/zinc/21/44/71/570214471.db2.gz VIVBXINZMNMIBM-RTBURBONSA-N 2 0 379.548 4.413 50 0 GIAARP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@H]4c4ccccc4)[C@@H]3C2)cc1 ZINC000191858373 570441791 /nfs/dbraw/zinc/44/17/91/570441791.db2.gz XJVSDCMEXSTBLQ-GIDFYXQGSA-N 2 0 376.544 4.264 50 0 GIAARP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000130156959 570464119 /nfs/dbraw/zinc/46/41/19/570464119.db2.gz BYPYATDQXAQMJQ-MOPGFXCFSA-N 2 0 379.589 4.209 50 0 GIAARP COc1ccc(CC[N@@H+](Cc2ccccc2OC)CC2CC[NH+](C)CC2)cc1 ZINC000012052294 570601704 /nfs/dbraw/zinc/60/17/04/570601704.db2.gz XOTJDLXPYPMLEQ-UHFFFAOYSA-N 2 0 382.548 4.090 50 0 GIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cccc(C(C)=O)c3)CC2)cc1 ZINC000012592634 570688282 /nfs/dbraw/zinc/68/82/82/570688282.db2.gz KQHKMSIBQOSMOY-UHFFFAOYSA-N 2 0 394.559 4.284 50 0 GIAARP CCOc1cccc(C[N@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)c1 ZINC000012753306 570709709 /nfs/dbraw/zinc/70/97/09/570709709.db2.gz SOWMNSHOGSALBR-UHFFFAOYSA-N 2 0 396.575 4.480 50 0 GIAARP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000013511876 570849673 /nfs/dbraw/zinc/84/96/73/570849673.db2.gz OBUCWJVKGWIGLC-RLSLOFABSA-N 2 0 396.575 4.482 50 0 GIAARP Cc1cccc2cc(C[NH2+]Cc3ccsc3)c(N3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC000012025441 818137061 /nfs/dbraw/zinc/13/70/61/818137061.db2.gz DMESBNPEETYOIH-OAQYLSRUSA-N 2 0 392.572 4.179 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cnn(-c4cccc(F)c4)c3)CC2)o1 ZINC000012716130 818177524 /nfs/dbraw/zinc/17/75/24/818177524.db2.gz WULOZAHMYKOIKP-UHFFFAOYSA-N 2 0 396.510 4.257 50 0 GIAARP C[N@H+](C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000055153700 822941746 /nfs/dbraw/zinc/94/17/46/822941746.db2.gz RPJUHOSYHOZGPC-SFHVURJKSA-N 2 0 384.486 4.071 50 0 GIAARP O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000017363087 207089501 /nfs/dbraw/zinc/08/95/01/207089501.db2.gz YXBWJUCLESJQNS-UHFFFAOYSA-N 2 0 391.559 4.067 50 0 GIAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH+]2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511580 208214523 /nfs/dbraw/zinc/21/45/23/208214523.db2.gz JKLQISNSBUGCTA-JOCHJYFZSA-N 2 0 386.580 4.209 50 0 GIAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCCCC23CC3)cc1 ZINC000095521799 208219293 /nfs/dbraw/zinc/21/92/93/208219293.db2.gz XASBORKELHCMQW-QHCPKHFHSA-N 2 0 394.559 4.077 50 0 GIAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cnc(SC)nc3)CC2)C1 ZINC000096165474 208282455 /nfs/dbraw/zinc/28/24/55/208282455.db2.gz ITDUKSYVALDEBA-OAQYLSRUSA-N 2 0 396.604 4.290 50 0 GIAARP C[NH2+]CCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000008377035 570530135 /nfs/dbraw/zinc/53/01/35/570530135.db2.gz HVNFMUCAPJQARM-UHFFFAOYSA-N 2 0 383.319 4.280 50 0 GIAARP Cc1ccc(-n2cc(C[NH2+]CC3CC[NH+](C)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011843150 570587755 /nfs/dbraw/zinc/58/77/55/570587755.db2.gz FPUCZOOBYXPCRW-UHFFFAOYSA-N 2 0 392.522 4.418 50 0 GIAARP COCC[NH+]1CCC(C[N@H+](CC[C@@H](C)c2ccccc2)Cc2ccncc2)CC1 ZINC000012318532 570642249 /nfs/dbraw/zinc/64/22/49/570642249.db2.gz ZORVGRFUPVZVHL-JOCHJYFZSA-N 2 0 395.591 4.436 50 0 GIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000011878269 818126365 /nfs/dbraw/zinc/12/63/65/818126365.db2.gz IWVCURSWBVAHAV-OAQYLSRUSA-N 2 0 397.563 4.026 50 0 GIAARP Cc1ccccc1CC[NH+]1CCC(C[N@@H+](Cc2cnn(C)c2)C2CCCC2)CC1 ZINC000014976975 818279654 /nfs/dbraw/zinc/27/96/54/818279654.db2.gz QODWJQLCFXVUDJ-UHFFFAOYSA-N 2 0 394.607 4.428 50 0 GIAARP O[C@H]1[C@H]([NH+]2CCCCCC2)c2ccccc2C12CC[NH+](Cc1ccco1)CC2 ZINC000020859445 207215978 /nfs/dbraw/zinc/21/59/78/207215978.db2.gz VJSDWFFTNWHZEQ-PKTZIBPZSA-N 2 0 380.532 4.105 50 0 GIAARP c1coc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000011817353 570584887 /nfs/dbraw/zinc/58/48/87/570584887.db2.gz BCVYGLZFTXYOJY-VWLOTQADSA-N 2 0 394.559 4.140 50 0 GIAARP COc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1OCc1ccc(F)cc1Cl ZINC000040719380 570604131 /nfs/dbraw/zinc/60/41/31/570604131.db2.gz PRYMYEJFLSHEQC-UHFFFAOYSA-N 2 0 392.902 4.156 50 0 GIAARP COCC[NH+]1CCC(C[N@H+](CC[C@H](C)c2ccccc2)Cc2ccncc2)CC1 ZINC000012318533 570642396 /nfs/dbraw/zinc/64/23/96/570642396.db2.gz ZORVGRFUPVZVHL-QFIPXVFZSA-N 2 0 395.591 4.436 50 0 GIAARP Cn1c2ccccc2nc1C[N@H+](C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000067805462 570792241 /nfs/dbraw/zinc/79/22/41/570792241.db2.gz OUAHBQPIOHIAMJ-UHFFFAOYSA-N 2 0 394.538 4.099 50 0 GIAARP Fc1ccccc1N1CCC([N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)CC1 ZINC000012315344 818154529 /nfs/dbraw/zinc/15/45/29/818154529.db2.gz BMBGMGWHGDHZBA-XMMPIXPASA-N 2 0 385.571 4.383 50 0 GIAARP CC(C)CC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012752271 818181282 /nfs/dbraw/zinc/18/12/82/818181282.db2.gz PDTZBEIXUHRLPZ-NRFANRHFSA-N 2 0 377.617 4.002 50 0 GIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)C[C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000015065978 818286609 /nfs/dbraw/zinc/28/66/09/818286609.db2.gz WLHCCBDUKNXBSD-QFIPXVFZSA-N 2 0 388.596 4.087 50 0 GIAARP c1ccc(CC[NH+]2CCC(N3CC[N@@H+]4CCC[C@H]4[C@H]3C3CCCCC3)CC2)cc1 ZINC000022078484 818769574 /nfs/dbraw/zinc/76/95/74/818769574.db2.gz UFVFYWFHQFROLA-IZZNHLLZSA-N 2 0 395.635 4.422 50 0 GIAARP CCOc1cc(C[N@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000014950148 207033461 /nfs/dbraw/zinc/03/34/61/207033461.db2.gz OWUJQCUXOOMYEP-HSZRJFAPSA-N 2 0 396.575 4.480 50 0 GIAARP COCC[N@H+](CCCC(F)(F)F)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012298334 207286571 /nfs/dbraw/zinc/28/65/71/207286571.db2.gz SQVPPBUWLAWLQE-UHFFFAOYSA-N 2 0 390.465 4.329 50 0 GIAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000012903578 570289094 /nfs/dbraw/zinc/28/90/94/570289094.db2.gz DFWDMIJSYWKJOB-HNNXBMFYSA-N 2 0 389.902 4.192 50 0 GIAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000012903574 570289102 /nfs/dbraw/zinc/28/91/02/570289102.db2.gz DFWDMIJSYWKJOB-OAHLLOKOSA-N 2 0 389.902 4.192 50 0 GIAARP Cc1cc(C)n(CCC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)n1 ZINC000011878453 570590390 /nfs/dbraw/zinc/59/03/90/570590390.db2.gz QCOXWDIPXPFLED-DEOSSOPVSA-N 2 0 380.580 4.187 50 0 GIAARP COc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012054148 570601631 /nfs/dbraw/zinc/60/16/31/570601631.db2.gz WEWHKOOHXDPLAS-XMMPIXPASA-N 2 0 386.580 4.331 50 0 GIAARP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004769656 570729948 /nfs/dbraw/zinc/72/99/48/570729948.db2.gz OBUCWJVKGWIGLC-FHAGJXEFSA-N 2 0 396.575 4.482 50 0 GIAARP C[N@@H+](Cc1ccc2nsnc2c1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000014948256 210131192 /nfs/dbraw/zinc/13/11/92/210131192.db2.gz HPBCDPQIHSHKQG-IBGZPJMESA-N 2 0 398.551 4.217 50 0 GIAARP Cc1ncc(C[N@H+](C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000095496766 211251285 /nfs/dbraw/zinc/25/12/85/211251285.db2.gz MIVLGDZTZMNKLL-UHFFFAOYSA-N 2 0 394.485 4.123 50 0 GIAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccncc2)C[C@H]2CCCO2)CC1 ZINC000095497838 211250773 /nfs/dbraw/zinc/25/07/73/211250773.db2.gz QLMSLHMFEXHBQC-RUZDIDTESA-N 2 0 393.575 4.283 50 0 GIAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000040719349 210791720 /nfs/dbraw/zinc/79/17/20/210791720.db2.gz UMIOUVUQTSYTNO-UHFFFAOYSA-N 2 0 392.902 4.156 50 0 GIAARP CCOC(=O)C1(CC2CC2)CC[NH+](Cc2ccc(C[NH+]3CCCC3)s2)CC1 ZINC000020997996 210373136 /nfs/dbraw/zinc/37/31/36/210373136.db2.gz QYYLKMZPTVXHGD-UHFFFAOYSA-N 2 0 390.593 4.289 50 0 GIAARP c1cncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000020910238 210368381 /nfs/dbraw/zinc/36/83/81/210368381.db2.gz SNRKJHSHNKLCLQ-QHCPKHFHSA-N 2 0 384.612 4.024 50 0 GIAARP Cc1c(C[NH+]2CCC([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)cnn1C ZINC000020782375 210361045 /nfs/dbraw/zinc/36/10/45/210361045.db2.gz UKZODUDAJMGZNX-FQEVSTJZSA-N 2 0 386.971 4.116 50 0 GIAARP Cc1cc(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)on1 ZINC000072434217 136170165 /nfs/dbraw/zinc/17/01/65/136170165.db2.gz GCAMPKIQZQHMEW-UHFFFAOYSA-N 2 0 376.504 4.475 50 0 GIAARP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@H]4c4ccccc4)[C@H]3C2)cc1 ZINC000248861805 570389876 /nfs/dbraw/zinc/38/98/76/570389876.db2.gz XJVSDCMEXSTBLQ-KEOOTSPTSA-N 2 0 376.544 4.264 50 0 GIAARP O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)s2)C1)NC1CC1 ZINC000012004720 570598278 /nfs/dbraw/zinc/59/82/78/570598278.db2.gz JJVRWNDRNICFFU-SFHVURJKSA-N 2 0 389.609 4.005 50 0 GIAARP COc1ccc(CC[N@@H+](Cc2ccc(OC)cc2)CC2CC[NH+](C)CC2)cc1 ZINC000012072413 570604034 /nfs/dbraw/zinc/60/40/34/570604034.db2.gz SMOBPVCVMYBVBQ-UHFFFAOYSA-N 2 0 382.548 4.090 50 0 GIAARP COc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1OCc1c(F)cccc1Cl ZINC000040719472 570604297 /nfs/dbraw/zinc/60/42/97/570604297.db2.gz YOQFISZVWFGKMM-UHFFFAOYSA-N 2 0 392.902 4.156 50 0 GIAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccccc2c1Cl ZINC000058248644 570723310 /nfs/dbraw/zinc/72/33/10/570723310.db2.gz KZBJLMLJCSCULO-HNNXBMFYSA-N 2 0 393.984 4.043 50 0 GIAARP O=C(CCC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012574195 818167779 /nfs/dbraw/zinc/16/77/79/818167779.db2.gz GGHMTSCKQCCNKS-XMMPIXPASA-N 2 0 397.607 4.060 50 0 GIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccccc3OC)CC2)cc1 ZINC000014956450 818278935 /nfs/dbraw/zinc/27/89/35/818278935.db2.gz DYLFLACBEFYESK-UHFFFAOYSA-N 2 0 382.548 4.090 50 0 GIAARP Oc1cccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000020202900 818616674 /nfs/dbraw/zinc/61/66/74/818616674.db2.gz FCCSUHWPGVMJLG-QHCPKHFHSA-N 2 0 399.623 4.335 50 0 GIAARP CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000020780762 210360484 /nfs/dbraw/zinc/36/04/84/210360484.db2.gz ZPEFDRZWHSMTCH-NRFANRHFSA-N 2 0 398.620 4.225 50 0 GIAARP CCOc1ccc(C[N@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)cc1 ZINC000012717652 570704945 /nfs/dbraw/zinc/70/49/45/570704945.db2.gz YOXLLRMJHDSRIG-UHFFFAOYSA-N 2 0 396.575 4.480 50 0 GIAARP COc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012055075 570957244 /nfs/dbraw/zinc/95/72/44/570957244.db2.gz YZQDFEMCBPPWKU-XMMPIXPASA-N 2 0 386.580 4.331 50 0 GIAARP COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnc(C)[nH]2)CC(C)C)CC1 ZINC000015065969 210148376 /nfs/dbraw/zinc/14/83/76/210148376.db2.gz CVQIVHYVFXLLBQ-UHFFFAOYSA-N 2 0 384.568 4.097 50 0 GIAARP C[N@H+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C[C@H]1CCOC(C)(C)C1 ZINC000014964577 210135593 /nfs/dbraw/zinc/13/55/93/210135593.db2.gz YOPUQFPHVIAKLZ-NRFANRHFSA-N 2 0 376.560 4.217 50 0 GIAARP Cc1cccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000020910545 210368963 /nfs/dbraw/zinc/36/89/63/210368963.db2.gz PJQQKJZWRNQLII-QHCPKHFHSA-N 2 0 398.639 4.333 50 0 GIAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)C[C@@H]2CCOC2)CC1 ZINC000012449021 570418797 /nfs/dbraw/zinc/41/87/97/570418797.db2.gz BGENJWYPYQMFEZ-DEOSSOPVSA-N 2 0 393.575 4.141 50 0 GIAARP C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008377052 570529974 /nfs/dbraw/zinc/52/99/74/570529974.db2.gz GYQHISHDWWKFGP-UHFFFAOYSA-N 2 0 383.319 4.280 50 0 GIAARP CCOc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Cl)c1OCc1ccccc1 ZINC000010434571 570570340 /nfs/dbraw/zinc/57/03/40/570570340.db2.gz VAQVJLJLZBXRBX-UHFFFAOYSA-N 2 0 388.939 4.407 50 0 GIAARP COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnn(C)c2C)CC(C)C)CC1 ZINC000011816144 570584257 /nfs/dbraw/zinc/58/42/57/570584257.db2.gz YBPOWDZPWDNUHV-UHFFFAOYSA-N 2 0 398.595 4.107 50 0 GIAARP COCc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012612547 570690646 /nfs/dbraw/zinc/69/06/46/570690646.db2.gz UXFJPVZJYIKFBQ-NRFANRHFSA-N 2 0 390.568 4.062 50 0 GIAARP O[C@@H](COc1cccc(C[NH2+]CCCc2ccccc2)c1)C[NH+]1CCCCCC1 ZINC000011713514 818111983 /nfs/dbraw/zinc/11/19/83/818111983.db2.gz HBBBLPHACUVGDC-XMMPIXPASA-N 2 0 396.575 4.025 50 0 GIAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2cccc(F)c2F)CC1 ZINC000012431512 818158895 /nfs/dbraw/zinc/15/88/95/818158895.db2.gz GOAPWPVXQGLOTM-UHFFFAOYSA-N 2 0 388.502 4.360 50 0 GIAARP C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012587871 818168453 /nfs/dbraw/zinc/16/84/53/818168453.db2.gz POYCNIFPBFQXEL-NRFANRHFSA-N 2 0 382.523 4.147 50 0 GIAARP c1cc([C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)nc(SCC[NH+]2CCCC2)n1 ZINC000014958798 818278947 /nfs/dbraw/zinc/27/89/47/818278947.db2.gz SPRVECQWUVNPFJ-VQTJNVASSA-N 2 0 386.609 4.200 50 0 GIAARP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CSCCSC4)C3)C2)c1 ZINC000015073146 818287700 /nfs/dbraw/zinc/28/77/00/818287700.db2.gz UUXVAYZRCVOPFK-OAQYLSRUSA-N 2 0 376.635 4.132 50 0 GIAARP CCc1nc(C)c(C[N@H+](CC)CC2CC[NH+](CCc3ccccc3C)CC2)[nH]1 ZINC000015069466 818287747 /nfs/dbraw/zinc/28/77/47/818287747.db2.gz JBWHBMBNQPXAED-UHFFFAOYSA-N 2 0 382.596 4.366 50 0 GIAARP C[NH+](C)CCC[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002690148 209378405 /nfs/dbraw/zinc/37/84/05/209378405.db2.gz ZUXCZVPFDKRZKN-MRXNPFEDSA-N 2 0 394.346 4.004 50 0 GIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cc(C)c(O)c(C)c3)CC2)cc1 ZINC000011839600 221130665 /nfs/dbraw/zinc/13/06/65/221130665.db2.gz NSNBGPVEKOUUOO-UHFFFAOYSA-N 2 0 396.575 4.404 50 0 GIAARP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000012936071 570311187 /nfs/dbraw/zinc/31/11/87/570311187.db2.gz KQNWKKDTIYYMQY-LJQANCHMSA-N 2 0 391.559 4.451 50 0 GIAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OCc1c(F)cccc1Cl ZINC000040719364 570604003 /nfs/dbraw/zinc/60/40/03/570604003.db2.gz RBXQMPCUINVENF-UHFFFAOYSA-N 2 0 392.902 4.156 50 0 GIAARP CCCn1cc(C[N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)c(C)n1 ZINC000012203346 570625016 /nfs/dbraw/zinc/62/50/16/570625016.db2.gz TWZQAQKQPXMLRB-UHFFFAOYSA-N 2 0 386.559 4.127 50 0 GIAARP CCn1cc(C[N@H+](CC(C)C)CC2CC[NH+](Cc3ccccc3OC)CC2)cn1 ZINC000011879613 818127054 /nfs/dbraw/zinc/12/70/54/818127054.db2.gz OSSJRIVNYNARAU-UHFFFAOYSA-N 2 0 398.595 4.282 50 0 GIAARP COCC[N@@H+](Cc1cccc(C)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000014968145 818279757 /nfs/dbraw/zinc/27/97/57/818279757.db2.gz NRGZHOLXFIQLST-UHFFFAOYSA-N 2 0 396.575 4.364 50 0 GIAARP C[C@@H](c1ccc(-c2ccc(CN3CC[NH+](C)CC3)cn2)cc1)[NH+]1CCCCC1 ZINC000097610011 211368736 /nfs/dbraw/zinc/36/87/36/211368736.db2.gz FZAHRZRQRMYUEQ-FQEVSTJZSA-N 2 0 378.564 4.043 50 0 GIAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCCCC23CC3)cc1 ZINC000095521800 211267152 /nfs/dbraw/zinc/26/71/52/211267152.db2.gz XASBORKELHCMQW-HSZRJFAPSA-N 2 0 394.559 4.077 50 0 GIAARP c1ccc([C@@H]2C[N@@H+](C3CC3)CC3(CC[NH+](CCc4ccccn4)CC3)C2)cc1 ZINC000095388213 211235726 /nfs/dbraw/zinc/23/57/26/211235726.db2.gz BEPQNURMHGLHJM-QFIPXVFZSA-N 2 0 375.560 4.358 50 0 GIAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Cl)c1OCc1ccccc1C ZINC000040720573 210790416 /nfs/dbraw/zinc/79/04/16/210790416.db2.gz DLXAWINSKDEJEF-UHFFFAOYSA-N 2 0 388.939 4.325 50 0 GIAARP CCn1ccnc1C[N@@H+]1CCCC12CCN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000072475702 136171237 /nfs/dbraw/zinc/17/12/37/136171237.db2.gz LDMDQWPJCIKXAS-UHFFFAOYSA-N 2 0 389.547 4.395 50 0 GIAARP COCC[N@@H+](Cc1ccc(F)cc1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012713579 570703355 /nfs/dbraw/zinc/70/33/55/570703355.db2.gz JELQBJGXSHDOLB-UHFFFAOYSA-N 2 0 388.502 4.325 50 0 GIAARP CC[N@@H+](Cc1cccc(OC)c1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012725562 570706711 /nfs/dbraw/zinc/70/67/11/570706711.db2.gz ZNPMHSTYZDDRHR-HSZRJFAPSA-N 2 0 396.575 4.480 50 0 GIAARP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@@H]4c4ccccc4)[C@@H]3C2)cc1 ZINC000170072060 570801374 /nfs/dbraw/zinc/80/13/74/570801374.db2.gz XJVSDCMEXSTBLQ-ARXROMJUSA-N 2 0 376.544 4.264 50 0 GIAARP O[C@H](CC[NH+]1CCCCCC1)c1ccc([C@H](O)CC[NH+]2CCCCCC2)cc1 ZINC000004729693 570884645 /nfs/dbraw/zinc/88/46/45/570884645.db2.gz QHCZNMCBCSOTAT-DNQXCXABSA-N 2 0 388.596 4.286 50 0 GIAARP CN1CCC[N@H+](Cc2cccc3c4ccccc4oc32)CC12CC[NH+](C)CC2 ZINC000067850642 211024508 /nfs/dbraw/zinc/02/45/08/211024508.db2.gz DMNUCDRQLAYHIF-UHFFFAOYSA-N 2 0 377.532 4.188 50 0 GIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cccc(OC)c3)CC2)cc1 ZINC000011838708 221130496 /nfs/dbraw/zinc/13/04/96/221130496.db2.gz FSQLWRZCVOMKNM-UHFFFAOYSA-N 2 0 382.548 4.090 50 0 GIAARP Cc1nn(C)cc1C[N@@H+]1CCCC12CCN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000072477944 136171333 /nfs/dbraw/zinc/17/13/33/136171333.db2.gz YTEWGSCDTHGWPD-UHFFFAOYSA-N 2 0 389.547 4.220 50 0 GIAARP CCn1cc(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cn1 ZINC000072432169 536051238 /nfs/dbraw/zinc/05/12/38/536051238.db2.gz VJGADNDWZDPWFO-UHFFFAOYSA-N 2 0 389.547 4.395 50 0 GIAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000010434588 570570322 /nfs/dbraw/zinc/57/03/22/570570322.db2.gz AAPFKZRLQRFACI-UHFFFAOYSA-N 2 0 388.939 4.325 50 0 GIAARP CCCCc1ncc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)[nH]1 ZINC000011819394 570585382 /nfs/dbraw/zinc/58/53/82/570585382.db2.gz LSRBOTMIPWISAT-UHFFFAOYSA-N 2 0 386.559 4.278 50 0 GIAARP COCC[N@@H+](Cc1cccs1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000055243298 570688399 /nfs/dbraw/zinc/68/83/99/570688399.db2.gz YXRUYUCNYMXTJN-UHFFFAOYSA-N 2 0 376.541 4.248 50 0 GIAARP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)C[NH+](C1CCCC1)C2 ZINC000065239007 570744142 /nfs/dbraw/zinc/74/41/42/570744142.db2.gz UGTKQLRVASOEQY-INIZCTEOSA-N 2 0 375.582 4.001 50 0 GIAARP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252458601 570959555 /nfs/dbraw/zinc/95/95/55/570959555.db2.gz WKBHDOVBMYDMIV-AVRDEDQJSA-N 2 0 397.588 4.054 50 0 GIAARP CC[N@@H+](Cc1ccc2cccc(F)c2n1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012308440 818153811 /nfs/dbraw/zinc/15/38/11/818153811.db2.gz YMNUAJKRHGVYJG-UHFFFAOYSA-N 2 0 398.570 4.002 50 0 GIAARP CC(C)n1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000067895045 211028163 /nfs/dbraw/zinc/02/81/63/211028163.db2.gz OYBVDOOPRWBENU-QHCPKHFHSA-N 2 0 388.600 4.100 50 0 GIAARP CCn1c(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)nc2ccccc21 ZINC000011819840 221129950 /nfs/dbraw/zinc/12/99/50/221129950.db2.gz XJADJELTDSDXIE-UHFFFAOYSA-N 2 0 380.536 4.302 50 0 GIAARP C/C=C(\C)C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011934831 221138528 /nfs/dbraw/zinc/13/85/28/221138528.db2.gz JIMSUIGMIDNZQY-ORTAHOAGSA-N 2 0 382.592 4.313 50 0 GIAARP Cc1ccc2[nH+]ccc(N3CCC[C@H](c4nccn4CCC[NH+](C)C)C3)c2c1 ZINC000095498225 136179796 /nfs/dbraw/zinc/17/97/96/136179796.db2.gz UQSLTYKVZNEYPQ-IBGZPJMESA-N 2 0 377.536 4.075 50 0 GIAARP CC1(C)CC([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000025329368 570410878 /nfs/dbraw/zinc/41/08/78/570410878.db2.gz BGHWTZLRRYJEDI-QFIPXVFZSA-N 2 0 396.575 4.052 50 0 GIAARP Clc1cc(Br)ccc1-c1ccc(C[NH2+]CC2CC[NH2+]CC2)o1 ZINC000010434589 570570420 /nfs/dbraw/zinc/57/04/20/570570420.db2.gz VFFXYVJKHGENTG-UHFFFAOYSA-N 2 0 383.717 4.452 50 0 GIAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662019 570577021 /nfs/dbraw/zinc/57/70/21/570577021.db2.gz PYLLKFZVPVVKEW-JOCHJYFZSA-N 2 0 382.548 4.090 50 0 GIAARP C[N@@H+](Cc1cccc(F)c1F)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012298426 570634955 /nfs/dbraw/zinc/63/49/55/570634955.db2.gz XHPALAHFTVJXCJ-UHFFFAOYSA-N 2 0 376.466 4.490 50 0 GIAARP CC[N@@H+](Cc1cccc(SC)c1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012387501 570651950 /nfs/dbraw/zinc/65/19/50/570651950.db2.gz VVCBUPCREJUFDB-UHFFFAOYSA-N 2 0 375.626 4.037 50 0 GIAARP CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3OC)C2)cc1 ZINC000012457527 570669742 /nfs/dbraw/zinc/66/97/42/570669742.db2.gz GTDXNKFENBFSPG-QFIPXVFZSA-N 2 0 396.575 4.480 50 0 GIAARP O=C(C1=CCCC1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012574309 570682059 /nfs/dbraw/zinc/68/20/59/570682059.db2.gz DVLAEVFONRUNEH-NRFANRHFSA-N 2 0 387.612 4.066 50 0 GIAARP CCOc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)c1 ZINC000055228089 570688414 /nfs/dbraw/zinc/68/84/14/570688414.db2.gz AULWIBKLWNFNDA-QHCPKHFHSA-N 2 0 396.575 4.480 50 0 GIAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2ccc(C3CCCC3)s2)CC1 ZINC000012714790 570703751 /nfs/dbraw/zinc/70/37/51/570703751.db2.gz FAHVSNMGCOTWHE-UHFFFAOYSA-N 2 0 391.625 4.076 50 0 GIAARP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004769658 570729826 /nfs/dbraw/zinc/72/98/26/570729826.db2.gz OBUCWJVKGWIGLC-RNHFSVANSA-N 2 0 396.575 4.482 50 0 GIAARP COCC[NH+]1CCC(C[N@H+](Cc2cc3ccccc3o2)Cc2ccncc2)CC1 ZINC000012448826 818160957 /nfs/dbraw/zinc/16/09/57/818160957.db2.gz BOSXQWRQFNCLHD-UHFFFAOYSA-N 2 0 393.531 4.188 50 0 GIAARP COc1ccccc1-c1csc(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000191513003 823694041 /nfs/dbraw/zinc/69/40/41/823694041.db2.gz JQAOFKWBJAWPCH-GOSISDBHSA-N 2 0 385.577 4.482 50 0 GIAARP CC(=O)Nc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)cc1 ZINC000014975668 210137888 /nfs/dbraw/zinc/13/78/88/210137888.db2.gz RKSDVDMDUOHFCA-QHCPKHFHSA-N 2 0 393.575 4.340 50 0 GIAARP CC(C)[NH+]1CCC(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)CC1 ZINC000299784538 212037453 /nfs/dbraw/zinc/03/74/53/212037453.db2.gz OFQXIMMKACXHFP-BDTNDASRSA-N 2 0 394.563 4.426 50 0 GIAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cnc(SC)nc3)CC2)C1 ZINC000096165475 211315441 /nfs/dbraw/zinc/31/54/41/211315441.db2.gz ITDUKSYVALDEBA-NRFANRHFSA-N 2 0 396.604 4.290 50 0 GIAARP Cc1ccc2[nH+]ccc(N3CCC[C@@H](c4nccn4CCC[NH+](C)C)C3)c2c1 ZINC000095498226 136179772 /nfs/dbraw/zinc/17/97/72/136179772.db2.gz UQSLTYKVZNEYPQ-LJQANCHMSA-N 2 0 377.536 4.075 50 0 GIAARP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000012936076 570310905 /nfs/dbraw/zinc/31/09/05/570310905.db2.gz KQNWKKDTIYYMQY-IBGZPJMESA-N 2 0 391.559 4.451 50 0 GIAARP CC[N@@H+](Cc1ccc(OC)c(O)c1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012301701 570636641 /nfs/dbraw/zinc/63/66/41/570636641.db2.gz TVAXYEIVHPKUKQ-UHFFFAOYSA-N 2 0 396.575 4.486 50 0 GIAARP Cn1c2ccccc2nc1C[N@H+](C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012306968 570639246 /nfs/dbraw/zinc/63/92/46/570639246.db2.gz ZBTQPDTXXVTLIZ-UHFFFAOYSA-N 2 0 394.538 4.099 50 0 GIAARP CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)cc1 ZINC000012596836 570689634 /nfs/dbraw/zinc/68/96/34/570689634.db2.gz ZSRCUIUSMMQNNW-HSZRJFAPSA-N 2 0 396.575 4.480 50 0 GIAARP COc1ccc(CC[N@@H+](Cc2ccc3c(c2)CCO3)CC2CC[NH+](C)CC2)cc1 ZINC000012702247 570699184 /nfs/dbraw/zinc/69/91/84/570699184.db2.gz NZKZWCNRPXXIHL-UHFFFAOYSA-N 2 0 394.559 4.017 50 0 GIAARP Cc1c(Cl)cccc1NC(=S)N(CC[NH+](C)C)C1CC[NH+](C(C)C)CC1 ZINC000003026000 817411964 /nfs/dbraw/zinc/41/19/64/817411964.db2.gz JUIVKTHMJRXIOW-UHFFFAOYSA-N 2 0 397.032 4.082 50 0 GIAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000003681052 817494278 /nfs/dbraw/zinc/49/42/78/817494278.db2.gz STDRKPDUVKDMFG-UHFFFAOYSA-N 2 0 377.960 4.305 50 0 GIAARP Cc1c(C[NH+]2CCC([C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)cnn1C ZINC000020782372 818631495 /nfs/dbraw/zinc/63/14/95/818631495.db2.gz UKZODUDAJMGZNX-HXUWFJFHSA-N 2 0 386.971 4.116 50 0 GIAARP CCOc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccccc1 ZINC000008254063 221033404 /nfs/dbraw/zinc/03/34/04/221033404.db2.gz UUJLSIUAOCUZQX-UHFFFAOYSA-N 2 0 376.928 4.359 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cc(=O)c4ccccc4[nH]3)CC2)o1 ZINC000011754010 221125274 /nfs/dbraw/zinc/12/52/74/221125274.db2.gz NFVOYOPQPGTWKB-UHFFFAOYSA-N 2 0 379.504 4.186 50 0 GIAARP CCn1cncc1C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012446606 221197129 /nfs/dbraw/zinc/19/71/29/221197129.db2.gz LDWBTSQOZODOAZ-FQEVSTJZSA-N 2 0 386.971 4.291 50 0 GIAARP O=C(C1=CCCC1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012574303 221209253 /nfs/dbraw/zinc/20/92/53/221209253.db2.gz DVLAEVFONRUNEH-OAQYLSRUSA-N 2 0 387.612 4.066 50 0 GIAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]Cc2ccsc2)c1)C1CCCCC1 ZINC000012386502 221187555 /nfs/dbraw/zinc/18/75/55/221187555.db2.gz YKNXGFCZBADCIE-OAQYLSRUSA-N 2 0 388.577 4.042 50 0 GIAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cc(C)c(O)c(C)c3)C2)cc1 ZINC000014971896 221322198 /nfs/dbraw/zinc/32/21/98/221322198.db2.gz HPAMTKGDMBICGY-JOCHJYFZSA-N 2 0 396.575 4.404 50 0 GIAARP CCOc1cc(C[N@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)ccc1OC ZINC000014950151 221321017 /nfs/dbraw/zinc/32/10/17/221321017.db2.gz OWUJQCUXOOMYEP-QHCPKHFHSA-N 2 0 396.575 4.480 50 0 GIAARP Cc1cc(N2CCC3(CCC[N@@H+]3Cc3cccnc3N)CC2)c2ccccc2[nH+]1 ZINC000072438403 136170561 /nfs/dbraw/zinc/17/05/61/136170561.db2.gz COQNTUUTCMZGPH-UHFFFAOYSA-N 2 0 387.531 4.155 50 0 GIAARP CCc1nccc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](CC)C3)n1 ZINC000096136331 222386444 /nfs/dbraw/zinc/38/64/44/222386444.db2.gz RWORHLQPMIVPCJ-OAQYLSRUSA-N 2 0 378.564 4.131 50 0 GIAARP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)CC1 ZINC000023153286 526410140 /nfs/dbraw/zinc/41/01/40/526410140.db2.gz YYHOCWSFGWTSMB-HSZRJFAPSA-N 2 0 397.538 4.114 50 0 GIAARP CC[C@H](c1ccccn1)[N@H+](C)Cc1cc(C)cc(CN2CC[NH+](C)CC2)c1C ZINC000215871382 570292774 /nfs/dbraw/zinc/29/27/74/570292774.db2.gz WGQZWSJUFVSTPT-XMMPIXPASA-N 2 0 380.580 4.029 50 0 GIAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720565 570605496 /nfs/dbraw/zinc/60/54/96/570605496.db2.gz IFYNKKXPXPJAMP-UHFFFAOYSA-N 2 0 388.939 4.325 50 0 GIAARP Cc1ccc(Cl)cc1NC(=S)N(CC[NH+](C)C)C1CC[NH+](C(C)C)CC1 ZINC000004712479 570857991 /nfs/dbraw/zinc/85/79/91/570857991.db2.gz HYBQIYZZEQMSIH-UHFFFAOYSA-N 2 0 397.032 4.082 50 0 GIAARP O[C@@H](CC[NH+]1CCCCCC1)c1ccc([C@@H](O)CC[NH+]2CCCCCC2)cc1 ZINC000004729711 570884687 /nfs/dbraw/zinc/88/46/87/570884687.db2.gz QHCZNMCBCSOTAT-ZEQRLZLVSA-N 2 0 388.596 4.286 50 0 GIAARP CC(C)[NH+]1CCC(c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)CC1 ZINC000299803059 570898123 /nfs/dbraw/zinc/89/81/23/570898123.db2.gz VVHNRYJQQSYWGW-HBMCJLEFSA-N 2 0 380.536 4.350 50 0 GIAARP C[NH+](C)CCCOc1cccc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c1 ZINC000014965482 818280135 /nfs/dbraw/zinc/28/01/35/818280135.db2.gz MOQYOPGLHUTWNL-RUZDIDTESA-N 2 0 399.623 4.105 50 0 GIAARP CC(=O)c1cc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cs1 ZINC000020858916 818634077 /nfs/dbraw/zinc/63/40/77/818634077.db2.gz KGBAIRVLGPSVDF-UHFFFAOYSA-N 2 0 388.552 4.476 50 0 GIAARP c1ccc(CC[NH+]2CCC(N3CC[N@@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)CC2)cc1 ZINC000022078487 818769620 /nfs/dbraw/zinc/76/96/20/818769620.db2.gz UFVFYWFHQFROLA-UIOOFZCWSA-N 2 0 395.635 4.422 50 0 GIAARP C[N@H+](C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000055153702 822941805 /nfs/dbraw/zinc/94/18/05/822941805.db2.gz RPJUHOSYHOZGPC-GOSISDBHSA-N 2 0 384.486 4.071 50 0 GIAARP Brc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000010435484 221102910 /nfs/dbraw/zinc/10/29/10/221102910.db2.gz SJGOFFSZHSUPGT-UHFFFAOYSA-N 2 0 389.337 4.117 50 0 GIAARP COCC[N@@H+](Cc1cccc(F)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011753959 221124672 /nfs/dbraw/zinc/12/46/72/221124672.db2.gz IEXYHJSGUMYSJU-UHFFFAOYSA-N 2 0 388.502 4.325 50 0 GIAARP CC[N@@H+]1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000014955455 221320068 /nfs/dbraw/zinc/32/00/68/221320068.db2.gz SUVSKQSWBIFVMD-UHFFFAOYSA-N 2 0 380.532 4.082 50 0 GIAARP COc1cccc2c1OCC(C[N@H+](C)CC1CC[NH+](Cc3ccc(C)o3)CC1)=C2 ZINC000015064267 221328237 /nfs/dbraw/zinc/32/82/37/221328237.db2.gz HHVHOVDKZABFFI-UHFFFAOYSA-N 2 0 396.531 4.216 50 0 GIAARP C[NH+]1CCC(C[N@H+](CCc2ccccc2)Cc2cccn2-c2nccs2)CC1 ZINC000015066375 221329368 /nfs/dbraw/zinc/32/93/68/221329368.db2.gz YNEXKUXUOMJTRR-UHFFFAOYSA-N 2 0 394.588 4.320 50 0 GIAARP Cc1c(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cnn1C ZINC000072420320 136169761 /nfs/dbraw/zinc/16/97/61/136169761.db2.gz OWVONSRQGSUOBN-UHFFFAOYSA-N 2 0 389.547 4.220 50 0 GIAARP C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000067612572 222152294 /nfs/dbraw/zinc/15/22/94/222152294.db2.gz HCSPBHBUKMSKPL-UHFFFAOYSA-N 2 0 393.531 4.008 50 0 GIAARP C[C@H](c1ccc(-c2ccc(CN3CC[NH+](C)CC3)cn2)cc1)[NH+]1CCCCC1 ZINC000097610012 570247573 /nfs/dbraw/zinc/24/75/73/570247573.db2.gz FZAHRZRQRMYUEQ-HXUWFJFHSA-N 2 0 378.564 4.043 50 0 GIAARP C[NH+](C)CCC[NH2+]CC[C@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 ZINC000006754881 570492037 /nfs/dbraw/zinc/49/20/37/570492037.db2.gz OJCYXHBQKMVYAZ-FQEVSTJZSA-N 2 0 386.502 4.464 50 0 GIAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Cl)c1OCc1ccccc1F ZINC000040719350 570604166 /nfs/dbraw/zinc/60/41/66/570604166.db2.gz XWFBORRPWOOXOE-UHFFFAOYSA-N 2 0 392.902 4.156 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cc(C)ccc3-n3cccn3)CC2)o1 ZINC000012477495 570674340 /nfs/dbraw/zinc/67/43/40/570674340.db2.gz TVPZSXJKYYMZDQ-UHFFFAOYSA-N 2 0 392.547 4.426 50 0 GIAARP c1ccc2c(c1)[nH+]ccc2N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095364220 571057498 /nfs/dbraw/zinc/05/74/98/571057498.db2.gz KNJNWQSNMIDITC-QTLGCAHFSA-N 2 0 399.494 4.030 50 0 GIAARP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)C[C@@H]2CCCO2)CC1 ZINC000011937914 818130111 /nfs/dbraw/zinc/13/01/11/818130111.db2.gz RGGAXXZMVUXABJ-QHCPKHFHSA-N 2 0 397.538 4.114 50 0 GIAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccoc2)C[C@@H]2CCCO2)CC1 ZINC000012457510 221198313 /nfs/dbraw/zinc/19/83/13/221198313.db2.gz YPZYLZXPBHNETA-DEOSSOPVSA-N 2 0 382.548 4.481 50 0 GIAARP O=C(CCC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012574202 221208301 /nfs/dbraw/zinc/20/83/01/221208301.db2.gz GGHMTSCKQCCNKS-DEOSSOPVSA-N 2 0 397.607 4.060 50 0 GIAARP CCOc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1OCc1ccc(Cl)cc1 ZINC000013736350 221287143 /nfs/dbraw/zinc/28/71/43/221287143.db2.gz DWQAIGBGCLGBCL-UHFFFAOYSA-N 2 0 388.939 4.407 50 0 GIAARP COCC[N@H+](CCc1ccccc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000015076692 221330612 /nfs/dbraw/zinc/33/06/12/221330612.db2.gz DJTUYQGHBQFPFG-HSZRJFAPSA-N 2 0 392.587 4.057 50 0 GIAARP Cc1cc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000095496770 136179786 /nfs/dbraw/zinc/17/97/86/136179786.db2.gz PFVLLNGNFTYGHT-IBGZPJMESA-N 2 0 377.536 4.075 50 0 GIAARP CCn1c2ccccc2c2cc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)ccc21 ZINC000019889851 570228154 /nfs/dbraw/zinc/22/81/54/570228154.db2.gz USPYPBVCAZWERX-UHFFFAOYSA-N 2 0 390.575 4.026 50 0 GIAARP CCOC(=O)/C=C/c1ccc([C@H]2CCC[N@@H+]2CCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000097447449 570244367 /nfs/dbraw/zinc/24/43/67/570244367.db2.gz CFOIYFNSIAUVFH-ZXXUSRDYSA-N 2 0 390.527 4.246 50 0 GIAARP CC[NH+](CC)CCCNCc1nn(Cc2cccc(C)c2)nc1-c1ccccc1 ZINC000261491816 570789486 /nfs/dbraw/zinc/78/94/86/570789486.db2.gz LBDYKODKJCLPFG-UHFFFAOYSA-N 2 0 391.563 4.123 50 0 GIAARP CC[NH+](CC)CCCNCc1nn(Cc2ccccc2C)nc1-c1ccccc1 ZINC000261491745 570789661 /nfs/dbraw/zinc/78/96/61/570789661.db2.gz GYXSSBYBARAXCG-UHFFFAOYSA-N 2 0 391.563 4.123 50 0 GIAARP Cc1cc(C)c(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1C ZINC000011997035 818135292 /nfs/dbraw/zinc/13/52/92/818135292.db2.gz QOMNOKNNTFDYJR-JOCHJYFZSA-N 2 0 399.623 4.157 50 0 GIAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)C[C@H](C)c2ccccc2)CC1 ZINC000019218312 818587972 /nfs/dbraw/zinc/58/79/72/818587972.db2.gz VVEHAGQTXORIOU-NRFANRHFSA-N 2 0 381.564 4.046 50 0 GIAARP c1csc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000020351545 818619053 /nfs/dbraw/zinc/61/90/53/818619053.db2.gz KPUDEEASWJLVHD-FQEVSTJZSA-N 2 0 390.641 4.086 50 0 GIAARP C[N@@H+](Cc1cccc(F)c1F)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000011817664 221127712 /nfs/dbraw/zinc/12/77/12/221127712.db2.gz MKXCGUWWZWINNL-UHFFFAOYSA-N 2 0 376.466 4.490 50 0 GIAARP COCc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012612552 221214474 /nfs/dbraw/zinc/21/44/74/221214474.db2.gz UXFJPVZJYIKFBQ-OAQYLSRUSA-N 2 0 390.568 4.062 50 0 GIAARP CC[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012725560 221221434 /nfs/dbraw/zinc/22/14/34/221221434.db2.gz ZNPMHSTYZDDRHR-QHCPKHFHSA-N 2 0 396.575 4.480 50 0 GIAARP COc1ccc(CC[N@@H+](Cc2ccc(F)cc2F)CC2CC[NH+](C)CC2)cc1 ZINC000015065903 221329144 /nfs/dbraw/zinc/32/91/44/221329144.db2.gz WEOKZJDBDOSPSF-UHFFFAOYSA-N 2 0 388.502 4.360 50 0 GIAARP CCc1ccc(C[NH+]2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019809325 221456216 /nfs/dbraw/zinc/45/62/16/221456216.db2.gz OXZMXFPAGBBLDC-UHFFFAOYSA-N 2 0 377.576 4.031 50 0 GIAARP Cc1ccc2c(N3CCC[C@H](c4nccn4CCC[NH+](C)C)C3)cc[nH+]c2c1C ZINC000095518924 136180946 /nfs/dbraw/zinc/18/09/46/136180946.db2.gz PSOJKDUUINJCNR-FQEVSTJZSA-N 2 0 391.563 4.384 50 0 GIAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OCc1ccc(F)cc1Cl ZINC000040719363 221926751 /nfs/dbraw/zinc/92/67/51/221926751.db2.gz RZGRMTAVKSQOOR-UHFFFAOYSA-N 2 0 392.902 4.156 50 0 GIAARP CC[C@@H](c1ccccn1)[N@H+](C)Cc1cc(C)cc(CN2CC[NH+](C)CC2)c1C ZINC000215871333 570292910 /nfs/dbraw/zinc/29/29/10/570292910.db2.gz WGQZWSJUFVSTPT-DEOSSOPVSA-N 2 0 380.580 4.029 50 0 GIAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)C[C@@H](C)c2ccccc2)CC1 ZINC000019218307 818587953 /nfs/dbraw/zinc/58/79/53/818587953.db2.gz VVEHAGQTXORIOU-OAQYLSRUSA-N 2 0 381.564 4.046 50 0 GIAARP COc1ccccc1-c1csc(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000191513017 823694019 /nfs/dbraw/zinc/69/40/19/823694019.db2.gz JQAOFKWBJAWPCH-SFHVURJKSA-N 2 0 385.577 4.482 50 0 GIAARP CCOc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccccc1F ZINC000008254157 221033331 /nfs/dbraw/zinc/03/33/31/221033331.db2.gz OITWKXIECCDIKN-UHFFFAOYSA-N 2 0 394.918 4.498 50 0 GIAARP CCCCN(C)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000011814389 221126879 /nfs/dbraw/zinc/12/68/79/221126879.db2.gz ZYXIOVWEWBHJBX-UHFFFAOYSA-N 2 0 399.623 4.054 50 0 GIAARP c1coc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000011817352 221128489 /nfs/dbraw/zinc/12/84/89/221128489.db2.gz BCVYGLZFTXYOJY-RUZDIDTESA-N 2 0 394.559 4.140 50 0 GIAARP CC[N@@H+](Cc1cnc(SC)nc1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012716748 221220791 /nfs/dbraw/zinc/22/07/91/221220791.db2.gz RMZWJRBVVJUXCU-UHFFFAOYSA-N 2 0 398.620 4.284 50 0 GIAARP CC1=C(CC[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)C(C)(C)CCC1 ZINC000014964420 221322542 /nfs/dbraw/zinc/32/25/42/221322542.db2.gz BPDOXOLUEWZMIL-UHFFFAOYSA-N 2 0 377.617 4.073 50 0 GIAARP CCCn1cc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(C)n1 ZINC000019114021 221396341 /nfs/dbraw/zinc/39/63/41/221396341.db2.gz BKEPPFBTCGFNGU-UHFFFAOYSA-N 2 0 386.559 4.127 50 0 GIAARP COCC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055134346 222015234 /nfs/dbraw/zinc/01/52/34/222015234.db2.gz BWWAZZFGIUUWGC-QHCPKHFHSA-N 2 0 392.587 4.323 50 0 GIAARP c1cncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000020910241 570284052 /nfs/dbraw/zinc/28/40/52/570284052.db2.gz SNRKJHSHNKLCLQ-HSZRJFAPSA-N 2 0 384.612 4.024 50 0 GIAARP c1cc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)ccn1 ZINC000023374926 570358217 /nfs/dbraw/zinc/35/82/17/570358217.db2.gz JQBQASLHBISGQA-QHCPKHFHSA-N 2 0 384.612 4.024 50 0 GIAARP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000124150609 570965007 /nfs/dbraw/zinc/96/50/07/570965007.db2.gz ODLJPHKPEOOBID-QHCPKHFHSA-N 2 0 395.547 4.039 50 0 GIAARP CCn1ccnc1C[N@H+](CC(C)C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011663613 818106702 /nfs/dbraw/zinc/10/67/02/818106702.db2.gz XPWVSGRMIASDCP-UHFFFAOYSA-N 2 0 398.595 4.282 50 0 GIAARP Cc1cc(C)c(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1C ZINC000011997033 818135550 /nfs/dbraw/zinc/13/55/50/818135550.db2.gz QOMNOKNNTFDYJR-QFIPXVFZSA-N 2 0 399.623 4.157 50 0 GIAARP CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000020780759 818631205 /nfs/dbraw/zinc/63/12/05/818631205.db2.gz ZPEFDRZWHSMTCH-OAQYLSRUSA-N 2 0 398.620 4.225 50 0 GIAARP c1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)co1 ZINC000011950747 212078554 /nfs/dbraw/zinc/07/85/54/212078554.db2.gz KNAFGVAUXVWJMA-VWLOTQADSA-N 2 0 394.559 4.140 50 0 GIAARP Cc1cc(N2CC[NH+](Cc3cn(C)nc3-c3cccc(Cl)c3)CC2)cc(C)[nH+]1 ZINC000011816579 221128114 /nfs/dbraw/zinc/12/81/14/221128114.db2.gz NBFTWNLATVAUAM-UHFFFAOYSA-N 2 0 395.938 4.075 50 0 GIAARP CCc1ccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](CCOC)CC2)cc1 ZINC000012314109 221180268 /nfs/dbraw/zinc/18/02/68/221180268.db2.gz BKPOWLBOYCNWQC-UHFFFAOYSA-N 2 0 381.564 4.005 50 0 GIAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccoc2)C[C@H]2CCCO2)CC1 ZINC000012457512 221198073 /nfs/dbraw/zinc/19/80/73/221198073.db2.gz YPZYLZXPBHNETA-XMMPIXPASA-N 2 0 382.548 4.481 50 0 GIAARP C[N@@H+](Cc1ccc2nonc2c1)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012754914 221225270 /nfs/dbraw/zinc/22/52/70/221225270.db2.gz DYSHWBQYLRJTQS-UHFFFAOYSA-N 2 0 398.938 4.263 50 0 GIAARP C[N@H+](C[C@H](O)COc1cccc(C[NH+]2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511579 222342891 /nfs/dbraw/zinc/34/28/91/222342891.db2.gz JKLQISNSBUGCTA-QFIPXVFZSA-N 2 0 386.580 4.209 50 0 GIAARP CC1(C)CC([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000025329366 570411112 /nfs/dbraw/zinc/41/11/12/570411112.db2.gz BGHWTZLRRYJEDI-JOCHJYFZSA-N 2 0 396.575 4.052 50 0 GIAARP c1ccc([C@@H]2C[C@H](c3noc(CCC[NH+]4CCCCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299792682 570896452 /nfs/dbraw/zinc/89/64/52/570896452.db2.gz GCPSIFFORSKOMQ-HBMCJLEFSA-N 2 0 380.536 4.181 50 0 GIAARP C[NH2+]C1CC[NH+](C2CCN(c3cccc(-c4cccc(OC)c4)c3)CC2)CC1 ZINC000019595485 818594741 /nfs/dbraw/zinc/59/47/41/818594741.db2.gz ARTONVBMTDOMLV-UHFFFAOYSA-N 2 0 379.548 4.015 50 0 GIAARP c1ccc(CC[NH+]2CCC(N3CC[N@@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)CC2)cc1 ZINC000022078491 818769610 /nfs/dbraw/zinc/76/96/10/818769610.db2.gz UFVFYWFHQFROLA-CLJLJLNGSA-N 2 0 395.635 4.422 50 0 GIAARP C[C@H](c1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)cc1)[NH+]1CCOCC1 ZINC000426689137 231253576 /nfs/dbraw/zinc/25/35/76/231253576.db2.gz HTQDRGWJUCJZEH-HXUWFJFHSA-N 2 0 380.532 4.221 50 0 GIAARP Cc1nc2c(s1)[C@H]([NH+]1CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC1)CCC2 ZINC000225339740 212115205 /nfs/dbraw/zinc/11/52/05/212115205.db2.gz BKPWTQHTQNDHHJ-TWOQFEAHSA-N 2 0 377.598 4.040 50 0 GIAARP CCOc1cc(CNCCC[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000008254521 221032790 /nfs/dbraw/zinc/03/27/90/221032790.db2.gz IEVKDGLTVIIBFX-UHFFFAOYSA-N 2 0 376.928 4.359 50 0 GIAARP Brc1ccc(OCc2ccccc2)c(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000010434568 221102544 /nfs/dbraw/zinc/10/25/44/221102544.db2.gz OGEZGDBHWDNDNW-UHFFFAOYSA-N 2 0 389.337 4.117 50 0 GIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)CC2)o1 ZINC000011817214 221127964 /nfs/dbraw/zinc/12/79/64/221127964.db2.gz WOBAUZKPGYKANT-UHFFFAOYSA-N 2 0 396.510 4.461 50 0 GIAARP FC(F)(F)CCC[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012208639 221167841 /nfs/dbraw/zinc/16/78/41/221167841.db2.gz BEQNGHIJGIHRMN-IBGZPJMESA-N 2 0 376.507 4.465 50 0 GIAARP CCn1cncc1C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012446604 221196792 /nfs/dbraw/zinc/19/67/92/221196792.db2.gz LDWBTSQOZODOAZ-HXUWFJFHSA-N 2 0 386.971 4.291 50 0 GIAARP Cc1cc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000095496771 136179701 /nfs/dbraw/zinc/17/97/01/136179701.db2.gz PFVLLNGNFTYGHT-LJQANCHMSA-N 2 0 377.536 4.075 50 0 GIAARP CC(C)n1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000067895047 222165643 /nfs/dbraw/zinc/16/56/43/222165643.db2.gz OYBVDOOPRWBENU-HSZRJFAPSA-N 2 0 388.600 4.100 50 0 GIAARP COc1ccc(CC[N@@H+](Cc2cccc(F)c2F)CC2CC[NH+](C)CC2)cc1 ZINC000019229311 818588778 /nfs/dbraw/zinc/58/87/78/818588778.db2.gz HAJCRKHORNATFX-UHFFFAOYSA-N 2 0 388.502 4.360 50 0 GIAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879911 221134715 /nfs/dbraw/zinc/13/47/15/221134715.db2.gz LLZAZGGWTAUFPP-JOCHJYFZSA-N 2 0 382.548 4.090 50 0 GIAARP Fc1ccccc1N1CCC([N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)CC1 ZINC000012315345 221180127 /nfs/dbraw/zinc/18/01/27/221180127.db2.gz BMBGMGWHGDHZBA-DEOSSOPVSA-N 2 0 385.571 4.383 50 0 GIAARP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC000012434760 221194141 /nfs/dbraw/zinc/19/41/41/221194141.db2.gz LBCYPJXOYNAYCG-UHFFFAOYSA-N 2 0 393.575 4.283 50 0 GIAARP CCOc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1OCc1ccccc1Cl ZINC000013736241 221286614 /nfs/dbraw/zinc/28/66/14/221286614.db2.gz OJMKASFQZQDXKN-UHFFFAOYSA-N 2 0 388.939 4.407 50 0 GIAARP Cc1ccc2c(N3CCC[C@@H](c4nccn4CCC[NH+](C)C)C3)cc[nH+]c2c1C ZINC000095518925 136181026 /nfs/dbraw/zinc/18/10/26/136181026.db2.gz PSOJKDUUINJCNR-HXUWFJFHSA-N 2 0 391.563 4.384 50 0 GIAARP Fc1ccc(-c2nc3c([nH]2)C[N@@H+](C2CCC4(CC[NH2+]CC4)CC2)CC3)c(F)c1 ZINC000097076645 570235891 /nfs/dbraw/zinc/23/58/91/570235891.db2.gz LXRVNLOOEOXRHN-UHFFFAOYSA-N 2 0 386.490 4.025 50 0 GIAARP c1ccc([C@H]2C[N@@H+](C3CC3)CC3(CC[NH+](CCc4ccccn4)CC3)C2)cc1 ZINC000095388212 571071247 /nfs/dbraw/zinc/07/12/47/571071247.db2.gz BEPQNURMHGLHJM-JOCHJYFZSA-N 2 0 375.560 4.358 50 0 GIAARP