smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1cc(CN(C)CC(C)(C)C)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759905 343374567 /nfs/dbraw/zinc/37/45/67/343374567.db2.gz HRVWKINMYXARQC-CYBMUJFWSA-N 1 3 291.443 2.421 40 0 CEABHO CC(C)[N@H+](CCN)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393610 363593459 /nfs/dbraw/zinc/59/34/59/363593459.db2.gz SAWPHPUERYZSGJ-QGZVFWFLSA-N 1 3 275.440 2.178 40 0 CEABHO CC(C)[N@@H+](CCN)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393610 363593463 /nfs/dbraw/zinc/59/34/63/363593463.db2.gz SAWPHPUERYZSGJ-QGZVFWFLSA-N 1 3 275.440 2.178 40 0 CEABHO [NH3+]CCN1CCC[C@@H]1CN(Cc1ccccc1)C1CC1 ZINC000079414716 363597576 /nfs/dbraw/zinc/59/75/76/363597576.db2.gz INURNTJCCXSPAP-QGZVFWFLSA-N 1 3 273.424 2.074 40 0 CEABHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000306127164 376541573 /nfs/dbraw/zinc/54/15/73/376541573.db2.gz FQEXPJCMXSFAKG-LBPRGKRZSA-N 1 3 266.410 2.091 40 0 CEABHO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CN(C)C)OC[C@@H]3C2)s1 ZINC000096057582 185078193 /nfs/dbraw/zinc/07/81/93/185078193.db2.gz OLPSVGWCRZSDNB-BPUTZDHNSA-N 1 3 294.464 2.455 40 0 CEABHO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CN(C)C)OC[C@@H]3C2)s1 ZINC000096057582 185078194 /nfs/dbraw/zinc/07/81/94/185078194.db2.gz OLPSVGWCRZSDNB-BPUTZDHNSA-N 1 3 294.464 2.455 40 0 CEABHO CN(C)C[C@@H]1CCC[C@H](C[NH+]2CCCCC2)C1=O ZINC000001670783 282119396 /nfs/dbraw/zinc/11/93/96/282119396.db2.gz FIDWOYJZBJLWKW-UONOGXRCSA-N 1 3 252.402 2.019 40 0 CEABHO CNc1cc(CN(C)CC(C)(C)C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759902 343374488 /nfs/dbraw/zinc/37/44/88/343374488.db2.gz HRVWKINMYXARQC-ZDUSSCGKSA-N 1 3 291.443 2.421 40 0 CEABHO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216301 394593392 /nfs/dbraw/zinc/59/33/92/394593392.db2.gz KOWODQVRDHJNID-INIZCTEOSA-N 1 3 288.439 2.428 40 0 CEABHO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216301 394593395 /nfs/dbraw/zinc/59/33/95/394593395.db2.gz KOWODQVRDHJNID-INIZCTEOSA-N 1 3 288.439 2.428 40 0 CEABHO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216348 394593548 /nfs/dbraw/zinc/59/35/48/394593548.db2.gz RFFDVMJXDRNCIN-INIZCTEOSA-N 1 3 288.439 2.428 40 0 CEABHO CCCC[N@H+]1CCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216348 394593552 /nfs/dbraw/zinc/59/35/52/394593552.db2.gz RFFDVMJXDRNCIN-INIZCTEOSA-N 1 3 288.439 2.428 40 0 CEABHO CN(C)C[C@@H]1CCC[C@@H](C[NH+]2CCCCC2)C1=O ZINC000001670781 282119346 /nfs/dbraw/zinc/11/93/46/282119346.db2.gz FIDWOYJZBJLWKW-KBPBESRZSA-N 1 3 252.402 2.019 40 0 CEABHO CCc1ccc(CN2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)o1 ZINC000306144515 376542510 /nfs/dbraw/zinc/54/25/10/376542510.db2.gz ZHKNFAFYHDIQJB-IAGOWNOFSA-N 1 3 291.439 2.052 40 0 CEABHO CC[C@@H]([NH3+])c1ccc(N2CCN(C(C)C)CC2)nc1C ZINC000072224759 394594486 /nfs/dbraw/zinc/59/44/86/394594486.db2.gz QIUJDELZTFYNEB-OAHLLOKOSA-N 1 3 276.428 2.330 40 0 CEABHO CN(C)C[C@H]1OC[C@@H]2CC[N@H+](Cc3cccs3)C[C@@H]21 ZINC000096056226 185077265 /nfs/dbraw/zinc/07/72/65/185077265.db2.gz KVCTUCLPDGLWPR-AEGPPILISA-N 1 3 280.437 2.147 40 0 CEABHO CN(C)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000096056226 185077266 /nfs/dbraw/zinc/07/72/66/185077266.db2.gz KVCTUCLPDGLWPR-AEGPPILISA-N 1 3 280.437 2.147 40 0 CEABHO COc1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000096071776 185086426 /nfs/dbraw/zinc/08/64/26/185086426.db2.gz GKQZVNLCIDWJPX-UHFFFAOYSA-N 1 3 289.423 2.398 40 0 CEABHO CCOc1cc(CN2CCC(CC[NH3+])CC2)ccc1O ZINC000015423993 361472302 /nfs/dbraw/zinc/47/23/02/361472302.db2.gz YQSJNCOFIDOWTB-UHFFFAOYSA-N 1 3 278.396 2.352 40 0 CEABHO CCCC[C@H](C)[NH2+]CCCNCCN(CC)CC ZINC000019369652 361529167 /nfs/dbraw/zinc/52/91/67/361529167.db2.gz BUZMAIJIVPHCSH-HNNXBMFYSA-N 1 3 257.466 2.476 40 0 CEABHO COC[C@@H]1C[N@H+](C)CC12CCN(Cc1ccco1)CC2 ZINC000585102669 367177278 /nfs/dbraw/zinc/17/72/78/367177278.db2.gz AMEZKKQMADBCRQ-AWEZNQCLSA-N 1 3 278.396 2.070 40 0 CEABHO COC[C@@H]1C[N@@H+](C)CC12CCN(Cc1ccco1)CC2 ZINC000585102669 367177282 /nfs/dbraw/zinc/17/72/82/367177282.db2.gz AMEZKKQMADBCRQ-AWEZNQCLSA-N 1 3 278.396 2.070 40 0 CEABHO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216303 394593153 /nfs/dbraw/zinc/59/31/53/394593153.db2.gz ADRUWRXIQFZWHP-INIZCTEOSA-N 1 3 288.439 2.427 40 0 CEABHO CC(C)[N@H+]1CCCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216303 394593155 /nfs/dbraw/zinc/59/31/55/394593155.db2.gz ADRUWRXIQFZWHP-INIZCTEOSA-N 1 3 288.439 2.427 40 0 CEABHO NC1(Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000098213861 364537943 /nfs/dbraw/zinc/53/79/43/364537943.db2.gz QUSUTJZZBDVSOH-UHFFFAOYSA-N 1 3 258.287 2.329 40 0 CEABHO [NH3+]C1(Cc2ccccc2C(F)(F)F)CCNCC1 ZINC000098213861 364537948 /nfs/dbraw/zinc/53/79/48/364537948.db2.gz QUSUTJZZBDVSOH-UHFFFAOYSA-N 1 3 258.287 2.329 40 0 CEABHO COC[C@H]1C[N@H+](C)CC12CCN(Cc1ccco1)CC2 ZINC000585102674 367178967 /nfs/dbraw/zinc/17/89/67/367178967.db2.gz AMEZKKQMADBCRQ-CQSZACIVSA-N 1 3 278.396 2.070 40 0 CEABHO COC[C@H]1C[N@@H+](C)CC12CCN(Cc1ccco1)CC2 ZINC000585102674 367178972 /nfs/dbraw/zinc/17/89/72/367178972.db2.gz AMEZKKQMADBCRQ-CQSZACIVSA-N 1 3 278.396 2.070 40 0 CEABHO c1coc(C[N@H+]2C[C@H]3CCN(CC4CC4)C[C@H]3C2)c1 ZINC000096054128 185076169 /nfs/dbraw/zinc/07/61/69/185076169.db2.gz NZWQMPOAODMOMW-CABCVRRESA-N 1 3 260.381 2.443 40 0 CEABHO c1coc(C[N@@H+]2C[C@H]3CCN(CC4CC4)C[C@H]3C2)c1 ZINC000096054128 185076170 /nfs/dbraw/zinc/07/61/70/185076170.db2.gz NZWQMPOAODMOMW-CABCVRRESA-N 1 3 260.381 2.443 40 0 CEABHO C[C@H](CNCC(C)(C)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000047219145 362202041 /nfs/dbraw/zinc/20/20/41/362202041.db2.gz BFPUNVDZQBNHES-GFCCVEGCSA-N 1 3 272.433 2.142 40 0 CEABHO CC(C)[C@H](N)C(=O)N(C(C)C)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407693 363595913 /nfs/dbraw/zinc/59/59/13/363595913.db2.gz RRVXFWJLEDKVRH-KFWWJZLASA-N 1 3 283.460 2.080 40 0 CEABHO O=C(CNC1CC1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000035314110 172122906 /nfs/dbraw/zinc/12/29/06/172122906.db2.gz KARNJDUYRDWAFI-UHFFFAOYSA-N 1 3 287.407 2.363 40 0 CEABHO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)CCN1CCCCC1)C2 ZINC000000198767 361144215 /nfs/dbraw/zinc/14/42/15/361144215.db2.gz UKBAYHIDBOWPPK-YIONKMFJSA-N 1 3 280.412 2.031 40 0 CEABHO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)CCN1CCCCC1)C2 ZINC000000198767 361144219 /nfs/dbraw/zinc/14/42/19/361144219.db2.gz UKBAYHIDBOWPPK-YIONKMFJSA-N 1 3 280.412 2.031 40 0 CEABHO CCN(CC)CCN1CC[NH+]=C1Cc1ccccc1 ZINC000001669270 361214806 /nfs/dbraw/zinc/21/48/06/361214806.db2.gz XEBBMZAZEKODGS-UHFFFAOYSA-N 1 3 259.397 2.285 40 0 CEABHO CC(C)N1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216342 394593315 /nfs/dbraw/zinc/59/33/15/394593315.db2.gz HALIMDBSNZYMLH-HNNXBMFYSA-N 1 3 274.412 2.037 40 0 CEABHO CC(C)N1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216362 394593521 /nfs/dbraw/zinc/59/35/21/394593521.db2.gz BQXACZFROBBEAK-MRXNPFEDSA-N 1 3 288.439 2.427 40 0 CEABHO CN(C)C[C@@H]1OC[C@H]2C[N@H+](Cc3cccs3)CC[C@@H]12 ZINC000096056199 185078160 /nfs/dbraw/zinc/07/81/60/185078160.db2.gz QYTLMNQSZFILOU-YUELXQCFSA-N 1 3 280.437 2.147 40 0 CEABHO CN(C)C[C@@H]1OC[C@H]2C[N@@H+](Cc3cccs3)CC[C@@H]12 ZINC000096056199 185078162 /nfs/dbraw/zinc/07/81/62/185078162.db2.gz QYTLMNQSZFILOU-YUELXQCFSA-N 1 3 280.437 2.147 40 0 CEABHO CCN(CCO)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393520 363593765 /nfs/dbraw/zinc/59/37/65/363593765.db2.gz GBGJOVWOEAVFAF-QGZVFWFLSA-N 1 3 276.424 2.213 40 0 CEABHO CCN(CCO)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393520 363593767 /nfs/dbraw/zinc/59/37/67/363593767.db2.gz GBGJOVWOEAVFAF-QGZVFWFLSA-N 1 3 276.424 2.213 40 0 CEABHO CCc1ccc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)o1 ZINC000306144514 376542577 /nfs/dbraw/zinc/54/25/77/376542577.db2.gz ZHKNFAFYHDIQJB-DLBZAZTESA-N 1 3 291.439 2.052 40 0 CEABHO CN1C[C@@H](C[NH3+])[C@@H](c2ccc(Br)cc2)C1 ZINC000225607381 394469173 /nfs/dbraw/zinc/46/91/73/394469173.db2.gz GDNNHXYGJATDLO-ZYHUDNBSSA-N 1 3 269.186 2.053 40 0 CEABHO CC[C@H]1CO[C@@]2(C1)CCC[N@H+](CCCN(C)C)C2 ZINC000096089830 281213651 /nfs/dbraw/zinc/21/36/51/281213651.db2.gz YVLONVXWSIRREV-HUUCEWRRSA-N 1 3 254.418 2.219 40 0 CEABHO CC[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCCN(C)C)C2 ZINC000096089830 281213653 /nfs/dbraw/zinc/21/36/53/281213653.db2.gz YVLONVXWSIRREV-HUUCEWRRSA-N 1 3 254.418 2.219 40 0 CEABHO CC(C)N1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216341 394593354 /nfs/dbraw/zinc/59/33/54/394593354.db2.gz HALIMDBSNZYMLH-OAHLLOKOSA-N 1 3 274.412 2.037 40 0 CEABHO OCCN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393555 363593833 /nfs/dbraw/zinc/59/38/33/363593833.db2.gz CXELYOQSQLGQQG-QGZVFWFLSA-N 1 3 288.435 2.355 40 0 CEABHO OCCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393555 363593837 /nfs/dbraw/zinc/59/38/37/363593837.db2.gz CXELYOQSQLGQQG-QGZVFWFLSA-N 1 3 288.435 2.355 40 0 CEABHO [NH3+]CCN1CCC[C@H]1CN(Cc1ccccc1)C1CC1 ZINC000079414713 363597524 /nfs/dbraw/zinc/59/75/24/363597524.db2.gz INURNTJCCXSPAP-KRWDZBQOSA-N 1 3 273.424 2.074 40 0 CEABHO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216287 394593448 /nfs/dbraw/zinc/59/34/48/394593448.db2.gz IKEUFFKNIYBQAR-MRXNPFEDSA-N 1 3 288.439 2.428 40 0 CEABHO CCCC[N@H+]1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216287 394593451 /nfs/dbraw/zinc/59/34/51/394593451.db2.gz IKEUFFKNIYBQAR-MRXNPFEDSA-N 1 3 288.439 2.428 40 0 CEABHO C[NH+](C)[C@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096047912 185072417 /nfs/dbraw/zinc/07/24/17/185072417.db2.gz WZGCCKVKQGQRHB-CQSZACIVSA-N 1 3 280.437 2.433 40 0 CEABHO N[C@H](CCCC[NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000085397138 179049763 /nfs/dbraw/zinc/04/97/63/179049763.db2.gz OVGWVLLZWALSRM-SECBINFHSA-N 1 3 297.200 2.454 40 0 CEABHO N[C@H](CCCC[NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000085397138 179049767 /nfs/dbraw/zinc/04/97/67/179049767.db2.gz OVGWVLLZWALSRM-SECBINFHSA-N 1 3 297.200 2.454 40 0 CEABHO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216281 394593432 /nfs/dbraw/zinc/59/34/32/394593432.db2.gz MRUDVNYGQPJHRU-OAHLLOKOSA-N 1 3 274.412 2.037 40 0 CEABHO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216281 394593434 /nfs/dbraw/zinc/59/34/34/394593434.db2.gz MRUDVNYGQPJHRU-OAHLLOKOSA-N 1 3 274.412 2.037 40 0 CEABHO C[NH+](C)C[C@@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@@H]12 ZINC000096056201 185078131 /nfs/dbraw/zinc/07/81/31/185078131.db2.gz GQYAOYJVISIDGV-KFWWJZLASA-N 1 3 280.437 2.147 40 0 CEABHO CN(C)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccsc3)CC[C@@H]12 ZINC000096056201 185078132 /nfs/dbraw/zinc/07/81/32/185078132.db2.gz GQYAOYJVISIDGV-KFWWJZLASA-N 1 3 280.437 2.147 40 0 CEABHO CN(C)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]12 ZINC000096056201 185078134 /nfs/dbraw/zinc/07/81/34/185078134.db2.gz GQYAOYJVISIDGV-KFWWJZLASA-N 1 3 280.437 2.147 40 0 CEABHO Cc1ccc(C)c(N2C(=[NH2+])NC(=N)NC23CCCCC3)c1 ZINC000000269183 361154467 /nfs/dbraw/zinc/15/44/67/361154467.db2.gz CPUMIVPUVDJPDS-UHFFFAOYSA-N 1 3 285.395 2.413 40 0 CEABHO Cc1ccc(C)c(N2C(=N)NC(=[NH2+])NC23CCCCC3)c1 ZINC000000269183 361154468 /nfs/dbraw/zinc/15/44/68/361154468.db2.gz CPUMIVPUVDJPDS-UHFFFAOYSA-N 1 3 285.395 2.413 40 0 CEABHO CCCN1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216344 394593514 /nfs/dbraw/zinc/59/35/14/394593514.db2.gz HHSSWPDPHWKBOT-HNNXBMFYSA-N 1 3 274.412 2.038 40 0 CEABHO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216286 394593722 /nfs/dbraw/zinc/59/37/22/394593722.db2.gz PBTFXAXBUIHEFT-INIZCTEOSA-N 1 3 288.439 2.284 40 0 CEABHO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216286 394593726 /nfs/dbraw/zinc/59/37/26/394593726.db2.gz PBTFXAXBUIHEFT-INIZCTEOSA-N 1 3 288.439 2.284 40 0 CEABHO CC[C@H](O)[C@@](CC[NH+](C)C)(CN(C)C)c1ccccc1 ZINC000001717949 288117741 /nfs/dbraw/zinc/11/77/41/288117741.db2.gz MXIQJUFQWBZITO-IRXDYDNUSA-N 1 3 278.440 2.209 40 0 CEABHO CC(C)[N@H+](CCN)C1CCN(Cc2ccccc2)CC1 ZINC000079393617 363594108 /nfs/dbraw/zinc/59/41/08/363594108.db2.gz VAUFKOYJFGPORW-UHFFFAOYSA-N 1 3 275.440 2.320 40 0 CEABHO CC(C)[N@@H+](CCN)C1CCN(Cc2ccccc2)CC1 ZINC000079393617 363594111 /nfs/dbraw/zinc/59/41/11/363594111.db2.gz VAUFKOYJFGPORW-UHFFFAOYSA-N 1 3 275.440 2.320 40 0 CEABHO CCN1C[C@H](COC)[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096216599 364412303 /nfs/dbraw/zinc/41/23/03/364412303.db2.gz FTNDXSLTRILPGJ-QZTJIDSGSA-N 1 3 288.435 2.477 40 0 CEABHO CCN1C[C@H](COC)[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096216599 364412307 /nfs/dbraw/zinc/41/23/07/364412307.db2.gz FTNDXSLTRILPGJ-QZTJIDSGSA-N 1 3 288.435 2.477 40 0 CEABHO CC[NH+](CC)CCCNC[C@H](C)C(=O)OC(C)(C)C ZINC000047219143 362201871 /nfs/dbraw/zinc/20/18/71/362201871.db2.gz UMTOVYSHWDTEIK-ZDUSSCGKSA-N 1 3 272.433 2.286 40 0 CEABHO CCN(CC)CCC[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219143 362201873 /nfs/dbraw/zinc/20/18/73/362201873.db2.gz UMTOVYSHWDTEIK-ZDUSSCGKSA-N 1 3 272.433 2.286 40 0 CEABHO Cc1cccc(N2C(=[NH2+])NC(=N)NC23CCCCC3)c1 ZINC000000203634 361144764 /nfs/dbraw/zinc/14/47/64/361144764.db2.gz YNNMFPKTGNGOMS-UHFFFAOYSA-N 1 3 271.368 2.105 40 0 CEABHO CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216288 394593090 /nfs/dbraw/zinc/59/30/90/394593090.db2.gz IKEUFFKNIYBQAR-INIZCTEOSA-N 1 3 288.439 2.428 40 0 CEABHO CCCC[N@H+]1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216288 394593094 /nfs/dbraw/zinc/59/30/94/394593094.db2.gz IKEUFFKNIYBQAR-INIZCTEOSA-N 1 3 288.439 2.428 40 0 CEABHO CCCN1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216361 394593634 /nfs/dbraw/zinc/59/36/34/394593634.db2.gz LHGHYJUMRXLMSV-INIZCTEOSA-N 1 3 288.439 2.428 40 0 CEABHO C[C@@H](CNCC(C)(C)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000047219144 362201831 /nfs/dbraw/zinc/20/18/31/362201831.db2.gz BFPUNVDZQBNHES-LBPRGKRZSA-N 1 3 272.433 2.142 40 0 CEABHO CN(C)Cc1c2cccnc2[nH]c1[C@H]1CCC[NH2+]C1 ZINC000019583370 361545346 /nfs/dbraw/zinc/54/53/46/361545346.db2.gz AIAXAFLQWGIDLF-NSHDSACASA-N 1 3 258.369 2.092 40 0 CEABHO CC[NH+]1CCC(N2CCC[C@@H](c3n[nH]cc3C)C2)CC1 ZINC000257214803 190012891 /nfs/dbraw/zinc/01/28/91/190012891.db2.gz CNMAHDHURPIVAA-CQSZACIVSA-N 1 3 276.428 2.382 40 0 CEABHO CCCN1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216343 394592723 /nfs/dbraw/zinc/59/27/23/394592723.db2.gz HHSSWPDPHWKBOT-OAHLLOKOSA-N 1 3 274.412 2.038 40 0 CEABHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216300 394593402 /nfs/dbraw/zinc/59/34/02/394593402.db2.gz KOWODQVRDHJNID-MRXNPFEDSA-N 1 3 288.439 2.428 40 0 CEABHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216300 394593403 /nfs/dbraw/zinc/59/34/03/394593403.db2.gz KOWODQVRDHJNID-MRXNPFEDSA-N 1 3 288.439 2.428 40 0 CEABHO CC[NH+](CC)CC[C@H]1Cn2nccc2CN(CC2CC2)C1 ZINC000248278478 276329394 /nfs/dbraw/zinc/32/93/94/276329394.db2.gz ZTMGBISVDVQJKI-MRXNPFEDSA-N 1 3 290.455 2.457 40 0 CEABHO CC(C)[C@H](N)C(=O)N(C(C)C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000248011976 280271471 /nfs/dbraw/zinc/27/14/71/280271471.db2.gz PONWLJVZGWCKJO-KKUMJFAQSA-N 1 3 283.460 2.080 40 0 CEABHO CN(C)[C@H]1COC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000096224800 364414091 /nfs/dbraw/zinc/41/40/91/364414091.db2.gz BWVWLWKVDRQYMV-MRXNPFEDSA-N 1 3 274.408 2.372 40 0 CEABHO CC(C)[N@@H+]1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216282 394592954 /nfs/dbraw/zinc/59/29/54/394592954.db2.gz MRUDVNYGQPJHRU-HNNXBMFYSA-N 1 3 274.412 2.037 40 0 CEABHO CC(C)[N@H+]1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216282 394592958 /nfs/dbraw/zinc/59/29/58/394592958.db2.gz MRUDVNYGQPJHRU-HNNXBMFYSA-N 1 3 274.412 2.037 40 0 CEABHO [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CCNCC1 ZINC000098213860 364537984 /nfs/dbraw/zinc/53/79/84/364537984.db2.gz SNCKMFLGGWRWCU-UHFFFAOYSA-N 1 3 258.287 2.329 40 0 CEABHO NC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000098213860 364537987 /nfs/dbraw/zinc/53/79/87/364537987.db2.gz SNCKMFLGGWRWCU-UHFFFAOYSA-N 1 3 258.287 2.329 40 0 CEABHO CC[NH+](CC)CC[C@@H]1Cn2nccc2CN(CC2CC2)C1 ZINC000248278476 371172621 /nfs/dbraw/zinc/17/26/21/371172621.db2.gz ZTMGBISVDVQJKI-INIZCTEOSA-N 1 3 290.455 2.457 40 0 CEABHO CC[NH+]1CCC(N2CCC[C@H](c3n[nH]cc3C)C2)CC1 ZINC000257214802 190013248 /nfs/dbraw/zinc/01/32/48/190013248.db2.gz CNMAHDHURPIVAA-AWEZNQCLSA-N 1 3 276.428 2.382 40 0 CEABHO c1ccc(COC[C@H]2CCC[N@@H+]2C2CCNCC2)cc1 ZINC000095908687 185031154 /nfs/dbraw/zinc/03/11/54/185031154.db2.gz DQUKACLVCXNZAL-QGZVFWFLSA-N 1 3 274.408 2.420 40 0 CEABHO c1ccc(COC[C@H]2CCC[N@H+]2C2CCNCC2)cc1 ZINC000095908687 185031155 /nfs/dbraw/zinc/03/11/55/185031155.db2.gz DQUKACLVCXNZAL-QGZVFWFLSA-N 1 3 274.408 2.420 40 0 CEABHO c1ccc(COC[C@H]2CCCN2C2CC[NH2+]CC2)cc1 ZINC000095908687 185031158 /nfs/dbraw/zinc/03/11/58/185031158.db2.gz DQUKACLVCXNZAL-QGZVFWFLSA-N 1 3 274.408 2.420 40 0 CEABHO CN(C)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1 ZINC000019583373 361545086 /nfs/dbraw/zinc/54/50/86/361545086.db2.gz YGNZOXUQRJCYKL-UHFFFAOYSA-N 1 3 258.369 2.092 40 0 CEABHO CC(C)N(CC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393614 363593963 /nfs/dbraw/zinc/59/39/63/363593963.db2.gz XEXGBFRXQGVNIW-QGZVFWFLSA-N 1 3 275.440 2.320 40 0 CEABHO CC(C)[C@H](N)C(=O)N(C(C)C)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407690 363596089 /nfs/dbraw/zinc/59/60/89/363596089.db2.gz RRVXFWJLEDKVRH-KKUMJFAQSA-N 1 3 283.460 2.080 40 0 CEABHO CC[C@@H](O)[C@@](CC[NH+](C)C)(CN(C)C)c1ccccc1 ZINC000001717950 361219562 /nfs/dbraw/zinc/21/95/62/361219562.db2.gz MXIQJUFQWBZITO-SJORKVTESA-N 1 3 278.440 2.209 40 0 CEABHO COC[C@H]1CN(C)C[C@@]12CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096218076 364412253 /nfs/dbraw/zinc/41/22/53/364412253.db2.gz NCAOHZAKRYPZIM-GDBMZVCRSA-N 1 3 294.464 2.457 40 0 CEABHO COC[C@H]1CN(C)C[C@@]12CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096218076 364412259 /nfs/dbraw/zinc/41/22/59/364412259.db2.gz NCAOHZAKRYPZIM-GDBMZVCRSA-N 1 3 294.464 2.457 40 0 CEABHO CN(C)CCC1(CC[NH+](C)C)c2ccccc2CCC1=O ZINC000004353101 289107499 /nfs/dbraw/zinc/10/74/99/289107499.db2.gz LEABXZIOSPUOAV-UHFFFAOYSA-N 1 3 288.435 2.343 40 0 CEABHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000072324585 300315673 /nfs/dbraw/zinc/31/56/73/300315673.db2.gz VSNBXFAVCMPSEF-MAUKXSAKSA-N 1 3 287.451 2.417 40 0 CEABHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000072324585 300315677 /nfs/dbraw/zinc/31/56/77/300315677.db2.gz VSNBXFAVCMPSEF-MAUKXSAKSA-N 1 3 287.451 2.417 40 0 CEABHO Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CN(C)C)[C@H]3C2)s1 ZINC000096056229 185077142 /nfs/dbraw/zinc/07/71/42/185077142.db2.gz MWZQZVJRWHMJSV-CWRNSKLLSA-N 1 3 294.464 2.455 40 0 CEABHO Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CN(C)C)[C@H]3C2)s1 ZINC000096056229 185077144 /nfs/dbraw/zinc/07/71/44/185077144.db2.gz MWZQZVJRWHMJSV-CWRNSKLLSA-N 1 3 294.464 2.455 40 0 CEABHO CCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216283 394593224 /nfs/dbraw/zinc/59/32/24/394593224.db2.gz WXENIWOWQNHOBP-OAHLLOKOSA-N 1 3 274.412 2.038 40 0 CEABHO CCC[N@H+]1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216283 394593228 /nfs/dbraw/zinc/59/32/28/394593228.db2.gz WXENIWOWQNHOBP-OAHLLOKOSA-N 1 3 274.412 2.038 40 0 CEABHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000072324586 176369780 /nfs/dbraw/zinc/36/97/80/176369780.db2.gz VSNBXFAVCMPSEF-YJBOKZPZSA-N 1 3 287.451 2.417 40 0 CEABHO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000072324586 176369781 /nfs/dbraw/zinc/36/97/81/176369781.db2.gz VSNBXFAVCMPSEF-YJBOKZPZSA-N 1 3 287.451 2.417 40 0 CEABHO CC[C@@H]1CO[C@]2(C1)CCC[N@H+](CCCN(C)C)C2 ZINC000096089833 394676864 /nfs/dbraw/zinc/67/68/64/394676864.db2.gz YVLONVXWSIRREV-GJZGRUSLSA-N 1 3 254.418 2.219 40 0 CEABHO CC[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCCN(C)C)C2 ZINC000096089833 394676870 /nfs/dbraw/zinc/67/68/70/394676870.db2.gz YVLONVXWSIRREV-GJZGRUSLSA-N 1 3 254.418 2.219 40 0 CEABHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000072324740 176369729 /nfs/dbraw/zinc/36/97/29/176369729.db2.gz VSNBXFAVCMPSEF-CRAIPNDOSA-N 1 3 287.451 2.417 40 0 CEABHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000072324740 176369730 /nfs/dbraw/zinc/36/97/30/176369730.db2.gz VSNBXFAVCMPSEF-CRAIPNDOSA-N 1 3 287.451 2.417 40 0 CEABHO CC[C@H]([NH3+])c1cnc(N2CCN(C(C)C)CC2)cc1C ZINC000072223713 256704848 /nfs/dbraw/zinc/70/48/48/256704848.db2.gz HKVRGJHCIPCLRJ-HNNXBMFYSA-N 1 3 276.428 2.330 40 0 CEABHO COC[C@H]1CC2(CN1Cc1ccncc1)CC[NH+](C)CC2 ZINC000096208101 256823613 /nfs/dbraw/zinc/82/36/13/256823613.db2.gz QJICPRANIYTPPV-MRXNPFEDSA-N 1 3 289.423 2.014 40 0 CEABHO CC(C)[C@H](N)C(=O)N(C(C)C)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407701 363596143 /nfs/dbraw/zinc/59/61/43/363596143.db2.gz RRVXFWJLEDKVRH-ILXRZTDVSA-N 1 3 283.460 2.080 40 0 CEABHO C[NH+](C)[C@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096047908 185072845 /nfs/dbraw/zinc/07/28/45/185072845.db2.gz CHWNFETVGAHJLI-CYBMUJFWSA-N 1 3 280.437 2.433 40 0 CEABHO Cc1ccccc1CN1C[C@@H]2COC[C@]2(C[NH+](C)C)C1 ZINC000096108257 185099916 /nfs/dbraw/zinc/09/99/16/185099916.db2.gz ALNIXLYDRDNKDZ-SJORKVTESA-N 1 3 274.408 2.005 40 0 CEABHO CCSc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1 ZINC000001842837 361223900 /nfs/dbraw/zinc/22/39/00/361223900.db2.gz DMUVDTFGSCCPBP-UHFFFAOYSA-N 1 3 277.397 2.403 40 0 CEABHO CC(C)N(CC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393616 363594175 /nfs/dbraw/zinc/59/41/75/363594175.db2.gz XEXGBFRXQGVNIW-KRWDZBQOSA-N 1 3 275.440 2.320 40 0 CEABHO COc1ccc(OC)c(CN2CCC(CC[NH3+])CC2)c1 ZINC000015423967 361471945 /nfs/dbraw/zinc/47/19/45/361471945.db2.gz LSRMGDGZVWUHSE-UHFFFAOYSA-N 1 3 278.396 2.265 40 0 CEABHO COc1ccc(CN2CCC(CC[NH3+])CC2)cc1OC ZINC000015423981 361473000 /nfs/dbraw/zinc/47/30/00/361473000.db2.gz LGWDIKMHDVJCLM-UHFFFAOYSA-N 1 3 278.396 2.265 40 0 CEABHO c1ccc2c(c1)CN[C@@H]1CN(c3cc[nH+]cc3)C[C@@H]21 ZINC000096062778 364399934 /nfs/dbraw/zinc/39/99/34/364399934.db2.gz WZBWHASLUUBJDO-JKSUJKDBSA-N 1 3 251.333 2.157 40 0 CEABHO Cc1ncsc1CN1CC[C@]2(C1)C[C@H]([NH+](C)C)CCO2 ZINC000096216119 256824961 /nfs/dbraw/zinc/82/49/61/256824961.db2.gz FZZIWUBROJNZRO-UKRRQHHQSA-N 1 3 295.452 2.137 40 0 CEABHO COC[C@H]1C[N@H+](C)C[C@@]12CCN(Cc1ccccc1C)C2 ZINC000096220051 364414907 /nfs/dbraw/zinc/41/49/07/364414907.db2.gz ZWQIIRZOMQBFRO-QZTJIDSGSA-N 1 3 288.435 2.395 40 0 CEABHO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(Cc1ccccc1C)C2 ZINC000096220051 364414913 /nfs/dbraw/zinc/41/49/13/364414913.db2.gz ZWQIIRZOMQBFRO-QZTJIDSGSA-N 1 3 288.435 2.395 40 0 CEABHO Cc1ccc(CN2CCC3(C[C@@H]([NH+](C)C)CO3)CC2)o1 ZINC000096047917 185073617 /nfs/dbraw/zinc/07/36/17/185073617.db2.gz LYBSUYSHGDREIH-CQSZACIVSA-N 1 3 278.396 2.273 40 0 CEABHO N[C@@H](CCCC[NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000085397140 179050133 /nfs/dbraw/zinc/05/01/33/179050133.db2.gz OVGWVLLZWALSRM-VIFPVBQESA-N 1 3 297.200 2.454 40 0 CEABHO N[C@@H](CCCC[NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000085397140 179050135 /nfs/dbraw/zinc/05/01/35/179050135.db2.gz OVGWVLLZWALSRM-VIFPVBQESA-N 1 3 297.200 2.454 40 0 CEABHO CN1C[C@@H](C[NH3+])[C@H](c2ccc(Br)cc2)C1 ZINC000096886190 290267210 /nfs/dbraw/zinc/26/72/10/290267210.db2.gz GDNNHXYGJATDLO-PWSUYJOCSA-N 1 3 269.186 2.053 40 0 CEABHO CC(C)[C@H](N)C(=O)N(C(C)C)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079426716 363600886 /nfs/dbraw/zinc/60/08/86/363600886.db2.gz RRVXFWJLEDKVRH-ZNMIVQPWSA-N 1 3 283.460 2.080 40 0 CEABHO CC[NH+]1CCC(N2CC[C@H](c3nc(C)cn3C)C2)CC1 ZINC000257300402 190029989 /nfs/dbraw/zinc/02/99/89/190029989.db2.gz RUDJNQLNRVCTMV-AWEZNQCLSA-N 1 3 276.428 2.002 40 0 CEABHO COc1ccc(CCN[C@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000218854476 394457655 /nfs/dbraw/zinc/45/76/55/394457655.db2.gz VYLYNSDJXFXCBX-KGLIPLIRSA-N 1 3 278.396 2.106 40 0 CEABHO CCN1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216298 394593410 /nfs/dbraw/zinc/59/34/10/394593410.db2.gz JWCDTQRQUQFQST-OAHLLOKOSA-N 1 3 274.412 2.038 40 0 CEABHO CC[C@@H]([NH3+])c1cnc(N2CCN(C(C)C)CC2)cc1C ZINC000072223714 394594716 /nfs/dbraw/zinc/59/47/16/394594716.db2.gz HKVRGJHCIPCLRJ-OAHLLOKOSA-N 1 3 276.428 2.330 40 0 CEABHO CC[C@@H]([NH3+])c1ccc(N2CCN(C(C)C)CC2)nc1 ZINC000072225619 394595600 /nfs/dbraw/zinc/59/56/00/394595600.db2.gz LVZQVIWOYDHWQX-CQSZACIVSA-N 1 3 262.401 2.022 40 0 CEABHO [NH3+]CCCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000059369891 362648524 /nfs/dbraw/zinc/64/85/24/362648524.db2.gz VNIVWJZKJPHGSB-UHFFFAOYSA-N 1 3 281.831 2.197 40 0 CEABHO CC[NH+]1CCC(N2CC[C@@H](c3nc(C)cn3C)C2)CC1 ZINC000257300403 190029397 /nfs/dbraw/zinc/02/93/97/190029397.db2.gz RUDJNQLNRVCTMV-CQSZACIVSA-N 1 3 276.428 2.002 40 0 CEABHO COc1ccc(CCN[C@@H]2CCCC[C@@H]2[NH3+])cc1OC ZINC000218854284 394457487 /nfs/dbraw/zinc/45/74/87/394457487.db2.gz VYLYNSDJXFXCBX-UONOGXRCSA-N 1 3 278.396 2.106 40 0 CEABHO CC[C@H]([NH3+])c1ccc(N2CCN(C(C)C)CC2)nc1C ZINC000072224758 394594214 /nfs/dbraw/zinc/59/42/14/394594214.db2.gz QIUJDELZTFYNEB-HNNXBMFYSA-N 1 3 276.428 2.330 40 0 CEABHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000104955352 394721020 /nfs/dbraw/zinc/72/10/20/394721020.db2.gz SFHFDXIKQWUDPS-OAHLLOKOSA-N 1 3 260.381 2.030 40 0 CEABHO [NH3+]CCN1CCCC[C@@H]1CN(Cc1ccccc1)C1CC1 ZINC000079414759 295233241 /nfs/dbraw/zinc/23/32/41/295233241.db2.gz ILXFOKGQODVSAD-GOSISDBHSA-N 1 3 287.451 2.464 40 0 CEABHO CCN(CCO)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393519 363594547 /nfs/dbraw/zinc/59/45/47/363594547.db2.gz GBGJOVWOEAVFAF-KRWDZBQOSA-N 1 3 276.424 2.213 40 0 CEABHO CCN(CCO)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393519 363594551 /nfs/dbraw/zinc/59/45/51/363594551.db2.gz GBGJOVWOEAVFAF-KRWDZBQOSA-N 1 3 276.424 2.213 40 0 CEABHO COC[C@@H]1CC2(CN1Cc1ccncc1)CC[NH+](C)CC2 ZINC000096208102 364411528 /nfs/dbraw/zinc/41/15/28/364411528.db2.gz QJICPRANIYTPPV-INIZCTEOSA-N 1 3 289.423 2.014 40 0 CEABHO COC[C@@H]1CN(C)C[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000096218078 364413056 /nfs/dbraw/zinc/41/30/56/364413056.db2.gz SNUDYNPFHTZCHQ-DZGCQCFKSA-N 1 3 280.437 2.148 40 0 CEABHO COC[C@@H]1CN(C)C[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096218078 364413059 /nfs/dbraw/zinc/41/30/59/364413059.db2.gz SNUDYNPFHTZCHQ-DZGCQCFKSA-N 1 3 280.437 2.148 40 0 CEABHO CN(C)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000096056227 282141470 /nfs/dbraw/zinc/14/14/70/282141470.db2.gz RCFAEZQRRXOYTP-SOUVJXGZSA-N 1 3 280.437 2.147 40 0 CEABHO CN(C)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000096056227 282141472 /nfs/dbraw/zinc/14/14/72/282141472.db2.gz RCFAEZQRRXOYTP-SOUVJXGZSA-N 1 3 280.437 2.147 40 0 CEABHO NC(=[NH2+])c1ccc(/C=C\c2ccc(C(N)=[NH2+])cc2[O-])cc1 ZINC000004896000 303220206 /nfs/dbraw/zinc/22/02/06/303220206.db2.gz TUESWZZJYCLFNL-RJRFIUFISA-N 1 3 280.331 2.131 40 0 world CEABHO c1ccc(CN2CCOC3(CC[NH2+]CC3)CC2)cc1 ZINC000409433807 344888803 /nfs/dbraw/zinc/88/88/03/344888803.db2.gz TZNMMQIVVAKUOC-UHFFFAOYSA-N 1 3 260.381 2.031 40 0 CEABHO CC(C)[C@H](N)C(=O)N(C(C)C)C1CCC([NH+](C)C)CC1 ZINC000079426714 363601012 /nfs/dbraw/zinc/60/10/12/363601012.db2.gz PONWLJVZGWCKJO-NRXISQOPSA-N 1 3 283.460 2.080 40 0 CEABHO CCc1ccc(CN2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)o1 ZINC000096184307 364406405 /nfs/dbraw/zinc/40/64/05/364406405.db2.gz ZHKNFAFYHDIQJB-SJORKVTESA-N 1 3 291.439 2.052 40 0 CEABHO CC(C)[N@H+](CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)N2 ZINC000242648591 400315380 /nfs/dbraw/zinc/31/53/80/400315380.db2.gz RCRNRGVZMHHJRV-XYPWUTKMSA-N 1 3 266.429 2.406 40 0 CEABHO CC(C)[N@@H+](CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)N2 ZINC000242648591 400315385 /nfs/dbraw/zinc/31/53/85/400315385.db2.gz RCRNRGVZMHHJRV-XYPWUTKMSA-N 1 3 266.429 2.406 40 0 CEABHO [NH3+]CCN1CCCC[C@H]1CN(Cc1ccccc1)C1CC1 ZINC000079414753 303381661 /nfs/dbraw/zinc/38/16/61/303381661.db2.gz ILXFOKGQODVSAD-SFHVURJKSA-N 1 3 287.451 2.464 40 0 CEABHO c1cc(CN2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)co1 ZINC000096056233 185077172 /nfs/dbraw/zinc/07/71/72/185077172.db2.gz KCKASKXSXOZLFE-YESZJQIVSA-N 1 3 290.407 2.212 40 0 CEABHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000104955357 394721146 /nfs/dbraw/zinc/72/11/46/394721146.db2.gz SFHFDXIKQWUDPS-HNNXBMFYSA-N 1 3 260.381 2.030 40 0 CEABHO CN(C)C[C@@H]1C[C@@H]2CN(Cc3ccsc3)CC[C@@H]2[N@@H+]1C ZINC000096064365 185084701 /nfs/dbraw/zinc/08/47/01/185084701.db2.gz LZENCIQAYKWVAV-PMPSAXMXSA-N 1 3 293.480 2.204 40 0 CEABHO CN(C)C[C@@H]1C[C@@H]2CN(Cc3ccsc3)CC[C@@H]2[N@H+]1C ZINC000096064365 185084702 /nfs/dbraw/zinc/08/47/02/185084702.db2.gz LZENCIQAYKWVAV-PMPSAXMXSA-N 1 3 293.480 2.204 40 0 CEABHO CCOc1ccc2nccc(N3CC[NH2+]CC3)c2c1 ZINC000068136415 362936423 /nfs/dbraw/zinc/93/64/23/362936423.db2.gz UPKGKRAOLGJNOL-UHFFFAOYSA-N 1 3 257.337 2.043 40 0 CEABHO CC(C)[N@H+](CCN)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393612 363594677 /nfs/dbraw/zinc/59/46/77/363594677.db2.gz SAWPHPUERYZSGJ-KRWDZBQOSA-N 1 3 275.440 2.178 40 0 CEABHO CC(C)[N@@H+](CCN)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393612 363594681 /nfs/dbraw/zinc/59/46/81/363594681.db2.gz SAWPHPUERYZSGJ-KRWDZBQOSA-N 1 3 275.440 2.178 40 0 CEABHO CN1C[C@@H](c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000096886189 185121886 /nfs/dbraw/zinc/12/18/86/185121886.db2.gz GDNNHXYGJATDLO-JQWIXIFHSA-N 1 3 269.186 2.053 40 0 CEABHO CC[C@H](O)[C@](CC[NH+](C)C)(CN(C)C)c1ccccc1 ZINC000001717951 361219545 /nfs/dbraw/zinc/21/95/45/361219545.db2.gz MXIQJUFQWBZITO-DLBZAZTESA-N 1 3 278.440 2.209 40 0 CEABHO c1ccc(COC[C@@H]2CCC[N@@H+]2C2CCNCC2)cc1 ZINC000095908686 185030586 /nfs/dbraw/zinc/03/05/86/185030586.db2.gz DQUKACLVCXNZAL-KRWDZBQOSA-N 1 3 274.408 2.420 40 0 CEABHO c1ccc(COC[C@@H]2CCC[N@H+]2C2CCNCC2)cc1 ZINC000095908686 185030587 /nfs/dbraw/zinc/03/05/87/185030587.db2.gz DQUKACLVCXNZAL-KRWDZBQOSA-N 1 3 274.408 2.420 40 0 CEABHO c1ccc(COC[C@@H]2CCCN2C2CC[NH2+]CC2)cc1 ZINC000095908686 185030589 /nfs/dbraw/zinc/03/05/89/185030589.db2.gz DQUKACLVCXNZAL-KRWDZBQOSA-N 1 3 274.408 2.420 40 0 CEABHO COc1ccc(CCN[C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000218854414 394457504 /nfs/dbraw/zinc/45/75/04/394457504.db2.gz VYLYNSDJXFXCBX-ZIAGYGMSSA-N 1 3 278.396 2.106 40 0 CEABHO CC(C)N1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216363 394593214 /nfs/dbraw/zinc/59/32/14/394593214.db2.gz BQXACZFROBBEAK-INIZCTEOSA-N 1 3 288.439 2.427 40 0 CEABHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000072324741 288313967 /nfs/dbraw/zinc/31/39/67/288313967.db2.gz VSNBXFAVCMPSEF-QAPCUYQASA-N 1 3 287.451 2.417 40 0 CEABHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000072324741 288313970 /nfs/dbraw/zinc/31/39/70/288313970.db2.gz VSNBXFAVCMPSEF-QAPCUYQASA-N 1 3 287.451 2.417 40 0 CEABHO CN(C)C[C@@H]1OC[C@@H]2C[N@H+](Cc3cccs3)CC[C@H]12 ZINC000096057579 185077891 /nfs/dbraw/zinc/07/78/91/185077891.db2.gz QYTLMNQSZFILOU-QEJZJMRPSA-N 1 3 280.437 2.147 40 0 CEABHO CN(C)C[C@@H]1OC[C@@H]2C[N@@H+](Cc3cccs3)CC[C@H]12 ZINC000096057579 185077893 /nfs/dbraw/zinc/07/78/93/185077893.db2.gz QYTLMNQSZFILOU-QEJZJMRPSA-N 1 3 280.437 2.147 40 0 CEABHO OCCN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393553 363593633 /nfs/dbraw/zinc/59/36/33/363593633.db2.gz CXELYOQSQLGQQG-KRWDZBQOSA-N 1 3 288.435 2.355 40 0 CEABHO OCCN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393553 363593637 /nfs/dbraw/zinc/59/36/37/363593637.db2.gz CXELYOQSQLGQQG-KRWDZBQOSA-N 1 3 288.435 2.355 40 0 CEABHO CCCC[C@@H](C)[NH2+]CCCNCCN(CC)CC ZINC000022859533 361589417 /nfs/dbraw/zinc/58/94/17/361589417.db2.gz BUZMAIJIVPHCSH-OAHLLOKOSA-N 1 3 257.466 2.476 40 0 CEABHO CN(C)C[C@@H]1C[C@@H]2CN(Cc3cccs3)CC[C@@H]2[N@@H+]1C ZINC000096185546 364406945 /nfs/dbraw/zinc/40/69/45/364406945.db2.gz HTESNTPHZWOBNW-YCPHGPKFSA-N 1 3 293.480 2.204 40 0 CEABHO CN(C)C[C@@H]1C[C@@H]2CN(Cc3cccs3)CC[C@@H]2[N@H+]1C ZINC000096185546 364406948 /nfs/dbraw/zinc/40/69/48/364406948.db2.gz HTESNTPHZWOBNW-YCPHGPKFSA-N 1 3 293.480 2.204 40 0 CEABHO CN(C)[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000096224801 364415153 /nfs/dbraw/zinc/41/51/53/364415153.db2.gz BWVWLWKVDRQYMV-INIZCTEOSA-N 1 3 274.408 2.372 40 0 CEABHO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216347 394593199 /nfs/dbraw/zinc/59/31/99/394593199.db2.gz RFFDVMJXDRNCIN-MRXNPFEDSA-N 1 3 288.439 2.428 40 0 CEABHO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216347 394593203 /nfs/dbraw/zinc/59/32/03/394593203.db2.gz RFFDVMJXDRNCIN-MRXNPFEDSA-N 1 3 288.439 2.428 40 0 CEABHO CCOc1ccc2nc(C)cc(N3CC[NH2+]CC3)c2c1 ZINC000068136485 394580974 /nfs/dbraw/zinc/58/09/74/394580974.db2.gz QMUUJJQKMVAOQR-UHFFFAOYSA-N 1 3 271.364 2.352 40 0 CEABHO C[NH+](C)[C@@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096047913 185072402 /nfs/dbraw/zinc/07/24/02/185072402.db2.gz WZGCCKVKQGQRHB-AWEZNQCLSA-N 1 3 280.437 2.433 40 0 CEABHO [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CCNCC1 ZINC000098213836 364537747 /nfs/dbraw/zinc/53/77/47/364537747.db2.gz BHNSKYOJQOEVNE-UHFFFAOYSA-N 1 3 258.287 2.329 40 0 CEABHO NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000098213836 364537753 /nfs/dbraw/zinc/53/77/53/364537753.db2.gz BHNSKYOJQOEVNE-UHFFFAOYSA-N 1 3 258.287 2.329 40 0 CEABHO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H](C)CN1C ZINC000101912042 364578429 /nfs/dbraw/zinc/57/84/29/364578429.db2.gz RSTSMVMSMDWOHJ-SCRDCRAPSA-N 1 3 276.380 2.234 40 0 CEABHO CCC[N@@H+]1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216284 394592741 /nfs/dbraw/zinc/59/27/41/394592741.db2.gz WXENIWOWQNHOBP-HNNXBMFYSA-N 1 3 274.412 2.038 40 0 CEABHO CCC[N@H+]1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216284 394592745 /nfs/dbraw/zinc/59/27/45/394592745.db2.gz WXENIWOWQNHOBP-HNNXBMFYSA-N 1 3 274.412 2.038 40 0 CEABHO CCN1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216359 394593702 /nfs/dbraw/zinc/59/37/02/394593702.db2.gz VCOMEWIGXBHYGH-HNNXBMFYSA-N 1 3 274.412 2.038 40 0 CEABHO O=C(CCN1CCCCC1)CC[NH+]1CCCCC1 ZINC000001706771 303581243 /nfs/dbraw/zinc/58/12/43/303581243.db2.gz NBRPIPKYWPAINE-UHFFFAOYSA-N 1 3 252.402 2.308 40 0 CEABHO CNc1cc(C)nc([C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000257260581 190022101 /nfs/dbraw/zinc/02/21/01/190022101.db2.gz LDMOBGOKPDXOHB-CQSZACIVSA-N 1 3 288.439 2.315 40 0 CEABHO CNc1cc(C)nc([C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000257260581 190022102 /nfs/dbraw/zinc/02/21/02/190022102.db2.gz LDMOBGOKPDXOHB-CQSZACIVSA-N 1 3 288.439 2.315 40 0 CEABHO COc1ccc2c(c1)CNC[C@]1(CCC[N@H+](C)CC1)O2 ZINC000019588837 394468406 /nfs/dbraw/zinc/46/84/06/394468406.db2.gz ICJFGZFISQBMLX-MRXNPFEDSA-N 1 3 276.380 2.032 40 0 CEABHO COc1ccc2c(c1)CNC[C@]1(CCC[N@@H+](C)CC1)O2 ZINC000019588837 394468412 /nfs/dbraw/zinc/46/84/12/394468412.db2.gz ICJFGZFISQBMLX-MRXNPFEDSA-N 1 3 276.380 2.032 40 0 CEABHO C[NH+](C)C[C@@H]1OC[C@H]2CN(Cc3ccc(F)cc3)CC[C@@H]12 ZINC000096056204 394675305 /nfs/dbraw/zinc/67/53/05/394675305.db2.gz PMMKSRXZXJDXCO-OIISXLGYSA-N 1 3 292.398 2.224 40 0 CEABHO Cc1ccc(CN2CCC3(C[C@H]([NH+](C)C)CO3)CC2)o1 ZINC000096047916 185072764 /nfs/dbraw/zinc/07/27/64/185072764.db2.gz LYBSUYSHGDREIH-AWEZNQCLSA-N 1 3 278.396 2.273 40 0 CEABHO OCC[N@@H+]1CCC[C@@H](CN(Cc2ccccc2)C2CC2)C1 ZINC000079414409 363596570 /nfs/dbraw/zinc/59/65/70/363596570.db2.gz RJRPCZJXJYIDFV-QGZVFWFLSA-N 1 3 288.435 2.355 40 0 CEABHO OCC[N@H+]1CCC[C@@H](CN(Cc2ccccc2)C2CC2)C1 ZINC000079414409 363596577 /nfs/dbraw/zinc/59/65/77/363596577.db2.gz RJRPCZJXJYIDFV-QGZVFWFLSA-N 1 3 288.435 2.355 40 0 CEABHO COC[C@H]1CN(C)C[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000096217067 364413159 /nfs/dbraw/zinc/41/31/59/364413159.db2.gz SNUDYNPFHTZCHQ-UKRRQHHQSA-N 1 3 280.437 2.148 40 0 CEABHO COC[C@H]1CN(C)C[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096217067 364413163 /nfs/dbraw/zinc/41/31/63/364413163.db2.gz SNUDYNPFHTZCHQ-UKRRQHHQSA-N 1 3 280.437 2.148 40 0 CEABHO OCC[N@@H+]1CCC[C@H](CN(Cc2ccccc2)C2CC2)C1 ZINC000079414416 363597351 /nfs/dbraw/zinc/59/73/51/363597351.db2.gz RJRPCZJXJYIDFV-KRWDZBQOSA-N 1 3 288.435 2.355 40 0 CEABHO OCC[N@H+]1CCC[C@H](CN(Cc2ccccc2)C2CC2)C1 ZINC000079414416 363597357 /nfs/dbraw/zinc/59/73/57/363597357.db2.gz RJRPCZJXJYIDFV-KRWDZBQOSA-N 1 3 288.435 2.355 40 0 CEABHO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(Cc1ccccc1C)C2 ZINC000096209612 364411855 /nfs/dbraw/zinc/41/18/55/364411855.db2.gz ZWQIIRZOMQBFRO-ZWKOTPCHSA-N 1 3 288.435 2.395 40 0 CEABHO COC[C@@H]1C[N@@H+](C)C[C@@]12CCN(Cc1ccccc1C)C2 ZINC000096209612 364411859 /nfs/dbraw/zinc/41/18/59/364411859.db2.gz ZWQIIRZOMQBFRO-ZWKOTPCHSA-N 1 3 288.435 2.395 40 0 CEABHO CC(C)[C@H](N)C(=O)N(C(C)C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177551 280271443 /nfs/dbraw/zinc/27/14/43/280271443.db2.gz PONWLJVZGWCKJO-ZNMIVQPWSA-N 1 3 283.460 2.080 40 0 CEABHO Cc1ccc(CN2C[C@H]3C[C@H](C[NH+](C)C)O[C@H]3C2)s1 ZINC000096056654 185077536 /nfs/dbraw/zinc/07/75/36/185077536.db2.gz OYSKOGYAARAMPG-NFAWXSAZSA-N 1 3 280.437 2.207 40 0 CEABHO COCC[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096062850 185083071 /nfs/dbraw/zinc/08/30/71/185083071.db2.gz CQKDZYPAPWOEDK-UHFFFAOYSA-N 1 3 289.423 2.016 40 0 CEABHO COc1cccc(CN2CCC3(CC([NH+](C)C)C3)C2)n1 ZINC000108526900 186220584 /nfs/dbraw/zinc/22/05/84/186220584.db2.gz BXSXQAIPPVEUHY-UHFFFAOYSA-N 1 3 275.396 2.006 40 0 CEABHO C[NH+](C)C[C@H]1CCC[C@]2(CCN(Cc3cccnc3)C2)O1 ZINC000096215254 364412719 /nfs/dbraw/zinc/41/27/19/364412719.db2.gz NHQGKVYNZBSQTK-IAGOWNOFSA-N 1 3 289.423 2.157 40 0 CEABHO C[NH+](C)C[C@@H]1OC[C@@H]2CN(Cc3ccsc3)CC[C@H]12 ZINC000096057580 185077319 /nfs/dbraw/zinc/07/73/19/185077319.db2.gz GQYAOYJVISIDGV-KKUMJFAQSA-N 1 3 280.437 2.147 40 0 CEABHO CN(C)C[C@@H]1OC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]12 ZINC000096057580 185077320 /nfs/dbraw/zinc/07/73/20/185077320.db2.gz GQYAOYJVISIDGV-KKUMJFAQSA-N 1 3 280.437 2.147 40 0 CEABHO CN(C)C[C@@H]1OC[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@H]12 ZINC000096057580 185077321 /nfs/dbraw/zinc/07/73/21/185077321.db2.gz GQYAOYJVISIDGV-KKUMJFAQSA-N 1 3 280.437 2.147 40 0 CEABHO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CN(C)C)OC[C@H]3C2)s1 ZINC000096056203 185078071 /nfs/dbraw/zinc/07/80/71/185078071.db2.gz OLPSVGWCRZSDNB-BMFZPTHFSA-N 1 3 294.464 2.455 40 0 CEABHO Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CN(C)C)OC[C@H]3C2)s1 ZINC000096056203 185078072 /nfs/dbraw/zinc/07/80/72/185078072.db2.gz OLPSVGWCRZSDNB-BMFZPTHFSA-N 1 3 294.464 2.455 40 0 CEABHO CCc1ccc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)o1 ZINC000096184308 364407285 /nfs/dbraw/zinc/40/72/85/364407285.db2.gz ZHKNFAFYHDIQJB-IRXDYDNUSA-N 1 3 291.439 2.052 40 0 CEABHO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216302 394593344 /nfs/dbraw/zinc/59/33/44/394593344.db2.gz ADRUWRXIQFZWHP-MRXNPFEDSA-N 1 3 288.439 2.427 40 0 CEABHO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216302 394593347 /nfs/dbraw/zinc/59/33/47/394593347.db2.gz ADRUWRXIQFZWHP-MRXNPFEDSA-N 1 3 288.439 2.427 40 0 CEABHO COc1ccc2c(c1)CNC[C@@]1(CCC[N@H+](C)CC1)O2 ZINC000019588839 361545688 /nfs/dbraw/zinc/54/56/88/361545688.db2.gz ICJFGZFISQBMLX-INIZCTEOSA-N 1 3 276.380 2.032 40 0 CEABHO COc1ccc2c(c1)CNC[C@@]1(CCC[N@@H+](C)CC1)O2 ZINC000019588839 361545689 /nfs/dbraw/zinc/54/56/89/361545689.db2.gz ICJFGZFISQBMLX-INIZCTEOSA-N 1 3 276.380 2.032 40 0 CEABHO CN(C)C[C@H]1CCC[C@@H](C[NH+]2CCCCC2)C1=O ZINC000001670780 282134377 /nfs/dbraw/zinc/13/43/77/282134377.db2.gz FIDWOYJZBJLWKW-KGLIPLIRSA-N 1 3 252.402 2.019 40 0 CEABHO CC[NH+](CC)CCCNC[C@@H](C)C(=O)OC(C)(C)C ZINC000047219142 362201928 /nfs/dbraw/zinc/20/19/28/362201928.db2.gz UMTOVYSHWDTEIK-CYBMUJFWSA-N 1 3 272.433 2.286 40 0 CEABHO CCN(CC)CCC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219142 362201930 /nfs/dbraw/zinc/20/19/30/362201930.db2.gz UMTOVYSHWDTEIK-CYBMUJFWSA-N 1 3 272.433 2.286 40 0 CEABHO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216285 394592929 /nfs/dbraw/zinc/59/29/29/394592929.db2.gz PBTFXAXBUIHEFT-MRXNPFEDSA-N 1 3 288.439 2.284 40 0 CEABHO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216285 394592934 /nfs/dbraw/zinc/59/29/34/394592934.db2.gz PBTFXAXBUIHEFT-MRXNPFEDSA-N 1 3 288.439 2.284 40 0 CEABHO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216345 394593459 /nfs/dbraw/zinc/59/34/59/394593459.db2.gz UQRPQPLDFFLFGY-MRXNPFEDSA-N 1 3 288.439 2.284 40 0 CEABHO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216345 394593462 /nfs/dbraw/zinc/59/34/62/394593462.db2.gz UQRPQPLDFFLFGY-MRXNPFEDSA-N 1 3 288.439 2.284 40 0 CEABHO CC[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCCN(C)C)C2 ZINC000096089831 394677097 /nfs/dbraw/zinc/67/70/97/394677097.db2.gz YVLONVXWSIRREV-LSDHHAIUSA-N 1 3 254.418 2.219 40 0 CEABHO CC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCCN(C)C)C2 ZINC000096089831 394677100 /nfs/dbraw/zinc/67/71/00/394677100.db2.gz YVLONVXWSIRREV-LSDHHAIUSA-N 1 3 254.418 2.219 40 0 CEABHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@]1(O)CCNCc1ccccc1 ZINC000004785488 170016787 /nfs/dbraw/zinc/01/67/87/170016787.db2.gz JKYJLJRYZGZWSE-VYDXJSESSA-N 1 3 276.424 2.258 40 0 CEABHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@]1(O)CCNCc1ccccc1 ZINC000004785488 170016789 /nfs/dbraw/zinc/01/67/89/170016789.db2.gz JKYJLJRYZGZWSE-VYDXJSESSA-N 1 3 276.424 2.258 40 0 CEABHO Cc1nc[nH]c1C[N@H+]1CC[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257259966 190022117 /nfs/dbraw/zinc/02/21/17/190022117.db2.gz LAULCXXCYZCAKI-CQSZACIVSA-N 1 3 299.422 2.477 40 0 CEABHO Cc1nc[nH]c1C[N@@H+]1CC[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257259966 190022118 /nfs/dbraw/zinc/02/21/18/190022118.db2.gz LAULCXXCYZCAKI-CQSZACIVSA-N 1 3 299.422 2.477 40 0 CEABHO CN1C[C@H](C[NH3+])[C@@H](c2ccc(Br)cc2)C1 ZINC000225607417 394469332 /nfs/dbraw/zinc/46/93/32/394469332.db2.gz GDNNHXYGJATDLO-CMPLNLGQSA-N 1 3 269.186 2.053 40 0 CEABHO [NH3+]CCN(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393638 394631443 /nfs/dbraw/zinc/63/14/43/394631443.db2.gz CRCGYKIBBHDDOT-KRWDZBQOSA-N 1 3 273.424 2.074 40 0 CEABHO CCN1CCC2(CC1)C[NH2+]Cc1cc(C)ccc1O2 ZINC000019527066 276360459 /nfs/dbraw/zinc/36/04/59/276360459.db2.gz NMIXBZINMZVHTM-UHFFFAOYSA-N 1 3 260.381 2.332 40 0 CEABHO C[NH2+]CCC1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015424041 361472890 /nfs/dbraw/zinc/47/28/90/361472890.db2.gz MHGCATGNYLJQKQ-UHFFFAOYSA-N 1 3 276.380 2.237 40 0 CEABHO Cn1cc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)cn1 ZINC000096079608 364399390 /nfs/dbraw/zinc/39/93/90/364399390.db2.gz XSFARVXISXEOQN-UHFFFAOYSA-N 1 3 296.418 2.057 40 0 CEABHO CN(C)C[C@H]1CCC[C@H](C[NH+]2CCCCC2)C1=O ZINC000001670782 289211739 /nfs/dbraw/zinc/21/17/39/289211739.db2.gz FIDWOYJZBJLWKW-ZIAGYGMSSA-N 1 3 252.402 2.019 40 0 CEABHO CCN(CC)CCC[NH2+]CCC(=O)OC(C)(C)C ZINC000047219002 362201913 /nfs/dbraw/zinc/20/19/13/362201913.db2.gz GOECRJWTZXAXKZ-UHFFFAOYSA-N 1 3 258.406 2.040 40 0 CEABHO COc1ccc(CCN[C@H]2CCCC[C@@H]2[NH3+])cc1OC ZINC000218854343 394457612 /nfs/dbraw/zinc/45/76/12/394457612.db2.gz VYLYNSDJXFXCBX-KBPBESRZSA-N 1 3 278.396 2.106 40 0 CEABHO C[NH+](C)[C@@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096047909 185072799 /nfs/dbraw/zinc/07/27/99/185072799.db2.gz CHWNFETVGAHJLI-ZDUSSCGKSA-N 1 3 280.437 2.433 40 0 CEABHO CCN(CC)CCOC(=O)CC[NH+]1CC2CCC(CC2)C1 ZINC000001639067 361214038 /nfs/dbraw/zinc/21/40/38/361214038.db2.gz FCTCXMHQEXACJY-UHFFFAOYSA-N 1 3 296.455 2.384 40 0 CEABHO C1CCC(N2CCN(C3[C@@H]4CCC[C@H]3C[NH2+]C4)CC2)CC1 ZINC000023089281 361594002 /nfs/dbraw/zinc/59/40/02/361594002.db2.gz BJVYROSUPPUVKH-BYICEURKSA-N 1 3 291.483 2.325 40 0 CEABHO CNc1cc(C)nc([C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000257260580 190022776 /nfs/dbraw/zinc/02/27/76/190022776.db2.gz LDMOBGOKPDXOHB-AWEZNQCLSA-N 1 3 288.439 2.315 40 0 CEABHO CNc1cc(C)nc([C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000257260580 190022777 /nfs/dbraw/zinc/02/27/77/190022777.db2.gz LDMOBGOKPDXOHB-AWEZNQCLSA-N 1 3 288.439 2.315 40 0 CEABHO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216346 394593564 /nfs/dbraw/zinc/59/35/64/394593564.db2.gz UQRPQPLDFFLFGY-INIZCTEOSA-N 1 3 288.439 2.284 40 0 CEABHO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216346 394593567 /nfs/dbraw/zinc/59/35/67/394593567.db2.gz UQRPQPLDFFLFGY-INIZCTEOSA-N 1 3 288.439 2.284 40 0 CEABHO CN(C)Cc1c2cccnc2[nH]c1[C@@H]1CCC[NH2+]C1 ZINC000019583368 361545288 /nfs/dbraw/zinc/54/52/88/361545288.db2.gz AIAXAFLQWGIDLF-LLVKDONJSA-N 1 3 258.369 2.092 40 0 CEABHO CCC[C@@]12C[NH2+]C[C@@](CCC)(CN(CC(C)C)C1)[C@H]2O ZINC000100795077 364550715 /nfs/dbraw/zinc/55/07/15/364550715.db2.gz GMWSLXRQAAJTGS-BJWYYQGGSA-N 1 3 282.472 2.495 40 0 CEABHO CCN1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216358 394593276 /nfs/dbraw/zinc/59/32/76/394593276.db2.gz VCOMEWIGXBHYGH-OAHLLOKOSA-N 1 3 274.412 2.038 40 0 CEABHO CC[C@H]([NH3+])c1ccc(N2CCN(C(C)C)CC2)nc1 ZINC000072225618 394595343 /nfs/dbraw/zinc/59/53/43/394595343.db2.gz LVZQVIWOYDHWQX-AWEZNQCLSA-N 1 3 262.401 2.022 40 0 CEABHO [NH3+]CCN(C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393640 295232166 /nfs/dbraw/zinc/23/21/66/295232166.db2.gz CRCGYKIBBHDDOT-QGZVFWFLSA-N 1 3 273.424 2.074 40 0 CEABHO COC[C@@H]1CN(C)C[C@@]12CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096218023 364413373 /nfs/dbraw/zinc/41/33/73/364413373.db2.gz NCAOHZAKRYPZIM-GOEBONIOSA-N 1 3 294.464 2.457 40 0 CEABHO COC[C@@H]1CN(C)C[C@@]12CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096218023 364413377 /nfs/dbraw/zinc/41/33/77/364413377.db2.gz NCAOHZAKRYPZIM-GOEBONIOSA-N 1 3 294.464 2.457 40 0 CEABHO CC[C@@H](O)[C@](CC[NH+](C)C)(CN(C)C)c1ccccc1 ZINC000001717952 286949127 /nfs/dbraw/zinc/94/91/27/286949127.db2.gz MXIQJUFQWBZITO-IAGOWNOFSA-N 1 3 278.440 2.209 40 0 CEABHO Cc1nc[nH]c1C[N@H+]1CC[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257259965 282139608 /nfs/dbraw/zinc/13/96/08/282139608.db2.gz LAULCXXCYZCAKI-AWEZNQCLSA-N 1 3 299.422 2.477 40 0 CEABHO Cc1nc[nH]c1C[N@@H+]1CC[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257259965 282139614 /nfs/dbraw/zinc/13/96/14/282139614.db2.gz LAULCXXCYZCAKI-AWEZNQCLSA-N 1 3 299.422 2.477 40 0 CEABHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000306127163 376541591 /nfs/dbraw/zinc/54/15/91/376541591.db2.gz FQEXPJCMXSFAKG-GFCCVEGCSA-N 1 3 266.410 2.091 40 0 CEABHO CCCN1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216360 394593658 /nfs/dbraw/zinc/59/36/58/394593658.db2.gz LHGHYJUMRXLMSV-MRXNPFEDSA-N 1 3 288.439 2.428 40 0 CEABHO Cc1ncsc1CN1CCC2(CC([NH+](C)C)C2)C1 ZINC000108524465 186220706 /nfs/dbraw/zinc/22/07/06/186220706.db2.gz KZGPWNQUGBLLKC-UHFFFAOYSA-N 1 3 265.426 2.368 40 0 CEABHO [NH3+]CCN(C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000079393641 363594603 /nfs/dbraw/zinc/59/46/03/363594603.db2.gz UFECBUBSKYACIH-UHFFFAOYSA-N 1 3 273.424 2.074 40 0 CEABHO NCC[N@H+](C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000079393641 363594611 /nfs/dbraw/zinc/59/46/11/363594611.db2.gz UFECBUBSKYACIH-UHFFFAOYSA-N 1 3 273.424 2.074 40 0 CEABHO NCC[N@@H+](C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000079393641 363594616 /nfs/dbraw/zinc/59/46/16/363594616.db2.gz UFECBUBSKYACIH-UHFFFAOYSA-N 1 3 273.424 2.074 40 0 CEABHO CCN1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216299 256710350 /nfs/dbraw/zinc/71/03/50/256710350.db2.gz JWCDTQRQUQFQST-HNNXBMFYSA-N 1 3 274.412 2.038 40 0 CEABHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@]1(O)CCNCc1ccccc1 ZINC000002260874 361231860 /nfs/dbraw/zinc/23/18/60/361231860.db2.gz JKYJLJRYZGZWSE-HLLBOEOZSA-N 1 3 276.424 2.258 40 0 CEABHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@]1(O)CCNCc1ccccc1 ZINC000002260874 361231865 /nfs/dbraw/zinc/23/18/65/361231865.db2.gz JKYJLJRYZGZWSE-HLLBOEOZSA-N 1 3 276.424 2.258 40 0 CEABHO c1cc(C[N@@H+]2C[C@@H]3COC[C@@H](N4CCCC4)[C@@H]3C2)cs1 ZINC000306140119 376541028 /nfs/dbraw/zinc/54/10/28/376541028.db2.gz UKNMXJNNJORDIJ-BZUAXINKSA-N 1 3 292.448 2.291 40 0 CEABHO c1cc(C[N@H+]2C[C@@H]3COC[C@@H](N4CCCC4)[C@@H]3C2)cs1 ZINC000306140119 376541030 /nfs/dbraw/zinc/54/10/30/376541030.db2.gz UKNMXJNNJORDIJ-BZUAXINKSA-N 1 3 292.448 2.291 40 0 CEABHO CC[C@H]1CO[C@]2(C1)CCC[N@H+](CCCN(C)C)C2 ZINC000096089832 394676990 /nfs/dbraw/zinc/67/69/90/394676990.db2.gz YVLONVXWSIRREV-CABCVRRESA-N 1 3 254.418 2.219 40 0 CEABHO CC[C@H]1CO[C@]2(C1)CCC[N@@H+](CCCN(C)C)C2 ZINC000096089832 394676994 /nfs/dbraw/zinc/67/69/94/394676994.db2.gz YVLONVXWSIRREV-CABCVRRESA-N 1 3 254.418 2.219 40 0 CEABHO