smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001266725539 1177310233 /nfs/dbraw/zinc/31/02/33/1177310233.db2.gz KXSJFBIRYPMEOP-BBWFWOEESA-N 1 3 333.476 2.081 10 10 EECEHO CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122029 1315848137 /nfs/dbraw/zinc/84/81/37/1315848137.db2.gz NNYLBTVONGKFMP-ZMBJWTFHSA-N 1 3 344.503 2.085 10 10 EECEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000375792958 466875402 /nfs/dbraw/zinc/87/54/02/466875402.db2.gz RMFXJZCHCFHWGR-AABGKKOBSA-N 1 3 329.488 2.486 10 10 EECEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000375792958 466875407 /nfs/dbraw/zinc/87/54/07/466875407.db2.gz RMFXJZCHCFHWGR-AABGKKOBSA-N 1 3 329.488 2.486 10 10 EECEHO CCOc1ccc([O-])c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248550 467967928 /nfs/dbraw/zinc/96/79/28/467967928.db2.gz MFFICYQTLMNKJL-SFHVURJKSA-N 1 3 334.460 2.381 10 10 EECEHO COc1cc(Cl)cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1[O-] ZINC000826902891 1248115530 /nfs/dbraw/zinc/11/55/30/1248115530.db2.gz MIZPDDGBRJPQHZ-ZDUSSCGKSA-N 1 3 343.899 2.416 10 10 EECEHO CC[NH+](CC)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768447956 577555952 /nfs/dbraw/zinc/55/59/52/577555952.db2.gz RYWDEWMKKQTBSY-GOSISDBHSA-N 1 3 334.460 2.372 10 10 EECEHO COc1ccc(C[NH2+][C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C)cc1C ZINC001274296154 1204988097 /nfs/dbraw/zinc/98/80/97/1204988097.db2.gz AVHHBUMCPLHBCF-WMZOPIPTSA-N 1 3 347.503 2.280 10 10 EECEHO C[C@H](CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001304769320 1331396349 /nfs/dbraw/zinc/39/63/49/1331396349.db2.gz VATLLSUTKSGTDT-QAPCUYQASA-N 1 3 334.508 2.059 10 10 EECEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001485695260 1191902654 /nfs/dbraw/zinc/90/26/54/1191902654.db2.gz DIANKKIKIYFUCA-BZSNNMDCSA-N 1 3 347.503 2.328 10 10 EECEHO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)cc1C ZINC001568319210 1124418346 /nfs/dbraw/zinc/41/83/46/1124418346.db2.gz KYSNVDUQBUMIKG-MRXNPFEDSA-N 1 3 333.476 2.036 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001265782872 1323378595 /nfs/dbraw/zinc/37/85/95/1323378595.db2.gz CYFKMUJXPMHHBA-HNNXBMFYSA-N 1 3 333.476 2.082 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)cc1C ZINC001485960700 1193659760 /nfs/dbraw/zinc/65/97/60/1193659760.db2.gz KMAXZHLMYDULOQ-MRXNPFEDSA-N 1 3 335.492 2.280 10 10 EECEHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001275297000 1205301006 /nfs/dbraw/zinc/30/10/06/1205301006.db2.gz CKOZFRBHXQBQHL-MAUKXSAKSA-N 1 3 335.492 2.184 10 10 EECEHO [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000826942566 1248172799 /nfs/dbraw/zinc/17/27/99/1248172799.db2.gz QVTMDYNYHXGZJA-GOSISDBHSA-N 1 3 330.403 2.388 10 10 EECEHO [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000826942566 1248172805 /nfs/dbraw/zinc/17/28/05/1248172805.db2.gz QVTMDYNYHXGZJA-GOSISDBHSA-N 1 3 330.403 2.388 10 10 EECEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc(F)c(N(C)C)cc1F ZINC000858187139 1294037581 /nfs/dbraw/zinc/03/75/81/1294037581.db2.gz RBQUSSYHSCUZDU-AWEZNQCLSA-N 1 3 342.478 2.392 10 10 EECEHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001279250600 1323857238 /nfs/dbraw/zinc/85/72/38/1323857238.db2.gz ZLUFGVGKQSUDON-DAWZGUTISA-N 1 3 347.503 2.423 10 10 EECEHO c1n[nH]cc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768671305 577560621 /nfs/dbraw/zinc/56/06/21/577560621.db2.gz ZAHYQYMAOVLPFF-UHFFFAOYSA-N 1 3 325.460 2.232 10 10 EECEHO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)cc1C ZINC001491080857 1258647552 /nfs/dbraw/zinc/64/75/52/1258647552.db2.gz UOXHIFSFOUKPQW-CALCHBBNSA-N 1 3 333.476 2.081 10 10 EECEHO c1cc(N2CCN(CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCCOC1 ZINC000773147789 577319084 /nfs/dbraw/zinc/31/90/84/577319084.db2.gz UQZUTXIFHADRFE-LJQANCHMSA-N 1 3 329.488 2.487 10 10 EECEHO CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1F ZINC000903980074 1242840652 /nfs/dbraw/zinc/84/06/52/1242840652.db2.gz GBBICTIFHWZGJX-HDICACEKSA-N 1 3 346.494 2.292 10 10 EECEHO CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1F ZINC000903980074 1242840670 /nfs/dbraw/zinc/84/06/70/1242840670.db2.gz GBBICTIFHWZGJX-HDICACEKSA-N 1 3 346.494 2.292 10 10 EECEHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001277987998 1305608757 /nfs/dbraw/zinc/60/87/57/1305608757.db2.gz MCHQGYQCZIAPKK-WBVHZDCISA-N 1 3 335.492 2.280 10 10 EECEHO C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000854232934 1292681870 /nfs/dbraw/zinc/68/18/70/1292681870.db2.gz XYBJBSMDORVOAJ-OAHLLOKOSA-N 1 3 333.476 2.342 10 10 EECEHO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001495741622 1101510946 /nfs/dbraw/zinc/51/09/46/1101510946.db2.gz BZNGTXWUNMBBEC-HOTGVXAUSA-N 1 3 347.503 2.187 10 10 EECEHO COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001568851676 1124872026 /nfs/dbraw/zinc/87/20/26/1124872026.db2.gz IYHQWNSMAXDPLS-WXFDERKXSA-N 1 3 345.487 2.106 10 10 EECEHO COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001568851676 1124872034 /nfs/dbraw/zinc/87/20/34/1124872034.db2.gz IYHQWNSMAXDPLS-WXFDERKXSA-N 1 3 345.487 2.106 10 10 EECEHO COc1ccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001483061043 1188361001 /nfs/dbraw/zinc/36/10/01/1188361001.db2.gz RNGPSFFQAJBHDE-DWTRPJMMSA-N 1 3 345.487 2.107 10 10 EECEHO CC[NH+](CC)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768447958 577555883 /nfs/dbraw/zinc/55/58/83/577555883.db2.gz RYWDEWMKKQTBSY-SFHVURJKSA-N 1 3 334.460 2.372 10 10 EECEHO COc1cc(Br)cc(C[NH2+]CCC2(C[NH3+])CC2)c1[O-] ZINC000844902597 789443032 /nfs/dbraw/zinc/44/30/32/789443032.db2.gz SLUKKWVZEHGVEF-UHFFFAOYSA-N 1 3 329.238 2.382 10 10 EECEHO COc1cc(Br)cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1[O-] ZINC000903974158 1242811426 /nfs/dbraw/zinc/81/14/26/1242811426.db2.gz KLGSEWUXPOFRFO-GHMZBOCLSA-N 1 3 343.265 2.499 10 10 EECEHO COc1ccc(C[NH2+]CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1C ZINC001498614075 1107811748 /nfs/dbraw/zinc/81/17/48/1107811748.db2.gz VWXCMNOJJGOCJE-INIZCTEOSA-N 1 3 347.503 2.284 10 10 EECEHO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000775835052 577446865 /nfs/dbraw/zinc/44/68/65/577446865.db2.gz DLRIULUKRMGPLO-OAHLLOKOSA-N 1 3 344.503 2.146 10 10 EECEHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001271013289 1185812025 /nfs/dbraw/zinc/81/20/25/1185812025.db2.gz NFKIGQFSOAFFCZ-NVXWUHKLSA-N 1 3 335.492 2.280 10 10 EECEHO Cn1cncc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000125501721 1199316387 /nfs/dbraw/zinc/31/63/87/1199316387.db2.gz QKIQPAASQPRLFX-UHFFFAOYSA-N 1 3 339.487 2.242 10 10 EECEHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2c1c(F)ccc2[O-] ZINC000925854931 1206161515 /nfs/dbraw/zinc/16/15/15/1206161515.db2.gz KHPRGIRUMFLPQM-DYEKYZERSA-N 1 3 348.418 2.355 10 10 EECEHO COc1cccc([O-])c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344408 1277188579 /nfs/dbraw/zinc/18/85/79/1277188579.db2.gz HLLVXCUSCOQXFK-UHFFFAOYSA-N 1 3 334.460 2.381 10 10 EECEHO CCOc1ccc([O-])c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000121145553 463087660 /nfs/dbraw/zinc/08/76/60/463087660.db2.gz XJSUSLWKIIDCHF-HNNXBMFYSA-N 1 3 336.476 2.316 10 10 EECEHO CCOc1ccc([O-])c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000121145553 463087662 /nfs/dbraw/zinc/08/76/62/463087662.db2.gz XJSUSLWKIIDCHF-HNNXBMFYSA-N 1 3 336.476 2.316 10 10 EECEHO CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000775680376 577442581 /nfs/dbraw/zinc/44/25/81/577442581.db2.gz BOONSGGKJCMYMH-FQEVSTJZSA-N 1 3 328.504 2.107 10 10 EECEHO CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000775680376 577442582 /nfs/dbraw/zinc/44/25/82/577442582.db2.gz BOONSGGKJCMYMH-FQEVSTJZSA-N 1 3 328.504 2.107 10 10 EECEHO CN1CCN(c2ccc(C[N@H+](C)[C@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000775680376 577442583 /nfs/dbraw/zinc/44/25/83/577442583.db2.gz BOONSGGKJCMYMH-FQEVSTJZSA-N 1 3 328.504 2.107 10 10 EECEHO CN1CCN(c2ccc(C[N@@H+](C)[C@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000775680376 577442584 /nfs/dbraw/zinc/44/25/84/577442584.db2.gz BOONSGGKJCMYMH-FQEVSTJZSA-N 1 3 328.504 2.107 10 10 EECEHO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000775835050 577446877 /nfs/dbraw/zinc/44/68/77/577446877.db2.gz DLRIULUKRMGPLO-HNNXBMFYSA-N 1 3 344.503 2.146 10 10 EECEHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2c1c(F)ccc2[O-] ZINC000925854934 1206161369 /nfs/dbraw/zinc/16/13/69/1206161369.db2.gz KHPRGIRUMFLPQM-MBNYWOFBSA-N 1 3 348.418 2.355 10 10 EECEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001571490953 1343219271 /nfs/dbraw/zinc/21/92/71/1343219271.db2.gz LDUZYNAOYLVMLZ-WMZOPIPTSA-N 1 3 347.503 2.424 10 10 EECEHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1)N(C)C ZINC001502017708 1113560801 /nfs/dbraw/zinc/56/08/01/1113560801.db2.gz SAILHYNXUYISGB-KRWDZBQOSA-N 1 3 347.503 2.472 10 10 EECEHO CCOc1ccc([O-])c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000121145369 463087243 /nfs/dbraw/zinc/08/72/43/463087243.db2.gz XJSUSLWKIIDCHF-OAHLLOKOSA-N 1 3 336.476 2.316 10 10 EECEHO CCOc1ccc([O-])c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000121145369 463087247 /nfs/dbraw/zinc/08/72/47/463087247.db2.gz XJSUSLWKIIDCHF-OAHLLOKOSA-N 1 3 336.476 2.316 10 10 EECEHO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000775717899 577443629 /nfs/dbraw/zinc/44/36/29/577443629.db2.gz UGWHBBMBZTUQDE-YLJYHZDGSA-N 1 3 330.520 2.353 10 10 EECEHO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000775717899 577443630 /nfs/dbraw/zinc/44/36/30/577443630.db2.gz UGWHBBMBZTUQDE-YLJYHZDGSA-N 1 3 330.520 2.353 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001317263737 1332157697 /nfs/dbraw/zinc/15/76/97/1332157697.db2.gz DHXDNNJQXBICBO-MAUKXSAKSA-N 1 3 335.492 2.184 10 10 EECEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022914 1342681419 /nfs/dbraw/zinc/68/14/19/1342681419.db2.gz WDHAQCBPGZVBDB-FUHWJXTLSA-N 1 3 347.503 2.472 10 10 EECEHO C[NH2+]CCOCCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000863543243 1296328053 /nfs/dbraw/zinc/32/80/53/1296328053.db2.gz METBPNOLLFQJLY-CQSZACIVSA-N 1 3 341.883 2.063 10 10 EECEHO C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000863543885 1296328492 /nfs/dbraw/zinc/32/84/92/1296328492.db2.gz FPGZWJXXURSMIT-NSHDSACASA-N 1 3 331.254 2.350 10 10 EECEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022915 1342681709 /nfs/dbraw/zinc/68/17/09/1342681709.db2.gz WDHAQCBPGZVBDB-SJLPKXTDSA-N 1 3 347.503 2.472 10 10 EECEHO CCN1CCN(c2ccc(CN[C@H]3C[C@H]([NH3+])C34CCC4)cc2F)CC1 ZINC000925561105 1206128238 /nfs/dbraw/zinc/12/82/38/1206128238.db2.gz YQOKRZOIMQYQFC-OALUTQOASA-N 1 3 346.494 2.327 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)cc1C ZINC001662219695 1354764559 /nfs/dbraw/zinc/76/45/59/1354764559.db2.gz NAFDPSWRSYDPTB-FUHWJXTLSA-N 1 3 347.503 2.471 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)cc1C ZINC001662219696 1354764657 /nfs/dbraw/zinc/76/46/57/1354764657.db2.gz NAFDPSWRSYDPTB-SJLPKXTDSA-N 1 3 347.503 2.471 10 10 EECEHO [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000826942567 1248173125 /nfs/dbraw/zinc/17/31/25/1248173125.db2.gz QVTMDYNYHXGZJA-SFHVURJKSA-N 1 3 330.403 2.388 10 10 EECEHO [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000826942567 1248173132 /nfs/dbraw/zinc/17/31/32/1248173132.db2.gz QVTMDYNYHXGZJA-SFHVURJKSA-N 1 3 330.403 2.388 10 10 EECEHO COc1ccc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)cc1C ZINC001699550581 1405386112 /nfs/dbraw/zinc/38/61/12/1405386112.db2.gz JCUIVUKAYKZDPM-UHFFFAOYSA-N 1 3 333.476 2.038 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001317263736 1332157867 /nfs/dbraw/zinc/15/78/67/1332157867.db2.gz DHXDNNJQXBICBO-CRAIPNDOSA-N 1 3 335.492 2.184 10 10 EECEHO [O-]c1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)[C@@H](O)CO2 ZINC000768447440 577555860 /nfs/dbraw/zinc/55/58/60/577555860.db2.gz OXCQMAIZTRRAET-SFHVURJKSA-N 1 3 332.444 2.126 10 10 EECEHO CN1CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000843129107 1315849775 /nfs/dbraw/zinc/84/97/75/1315849775.db2.gz REMGJTQYYNNLAT-LJQANCHMSA-N 1 3 328.504 2.203 10 10 EECEHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279316103 1323871743 /nfs/dbraw/zinc/87/17/43/1323871743.db2.gz XRWANNHORNUVNW-UHFFFAOYSA-N 1 3 347.503 2.424 10 10 EECEHO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2nc[nH]c2C)cc1C ZINC001668287561 1355915778 /nfs/dbraw/zinc/91/57/78/1355915778.db2.gz AFVUIEFNVNSYCU-AWEZNQCLSA-N 1 3 344.459 2.262 10 10 EECEHO CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1[O-] ZINC000854231607 1292681425 /nfs/dbraw/zinc/68/14/25/1292681425.db2.gz MNFZFLMUZXVHCI-KRWDZBQOSA-N 1 3 333.476 2.424 10 10 EECEHO C[C@@H](CC[NH+](C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001304769319 1331395331 /nfs/dbraw/zinc/39/53/31/1331395331.db2.gz VATLLSUTKSGTDT-MAUKXSAKSA-N 1 3 334.508 2.059 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)cc1C ZINC001328352169 1334448721 /nfs/dbraw/zinc/44/87/21/1334448721.db2.gz OYSARFQFMIVVJM-INIZCTEOSA-N 1 3 347.503 2.472 10 10 EECEHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001565867289 1125444496 /nfs/dbraw/zinc/44/44/96/1125444496.db2.gz NNQALCJVBQBIFO-KZNAEPCWSA-N 1 3 347.503 2.328 10 10 EECEHO COc1ccc(C[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)cc1C ZINC001691346056 1177942256 /nfs/dbraw/zinc/94/22/56/1177942256.db2.gz MYZGHPAIUMYMIP-UHFFFAOYSA-N 1 3 333.476 2.036 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)cc1C ZINC001331562231 1335037088 /nfs/dbraw/zinc/03/70/88/1335037088.db2.gz XIAOUYXPSHDOIT-WBVHZDCISA-N 1 3 347.503 2.282 10 10 EECEHO COc1ccc(C[NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1C ZINC001498614077 1107813342 /nfs/dbraw/zinc/81/33/42/1107813342.db2.gz VWXCMNOJJGOCJE-MRXNPFEDSA-N 1 3 347.503 2.284 10 10 EECEHO CN(C)c1ccc([C@H](CNC(=O)C2([NH+](C)C)CCCC2)N(C)C)cc1 ZINC001456928847 1109370335 /nfs/dbraw/zinc/37/03/35/1109370335.db2.gz DKNIAXKBBXXVQQ-SFHVURJKSA-N 1 3 346.519 2.346 10 10 EECEHO CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1[O-] ZINC000854231608 1292681110 /nfs/dbraw/zinc/68/11/10/1292681110.db2.gz MNFZFLMUZXVHCI-QGZVFWFLSA-N 1 3 333.476 2.424 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)cc1C ZINC001331562228 1335037071 /nfs/dbraw/zinc/03/70/71/1335037071.db2.gz XIAOUYXPSHDOIT-RDJZCZTQSA-N 1 3 347.503 2.282 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001567230526 1342713304 /nfs/dbraw/zinc/71/33/04/1342713304.db2.gz KFJBUFHPBVHXJN-WBVHZDCISA-N 1 3 347.503 2.330 10 10 EECEHO CN(C)c1ccc([C@@H](CNC(=O)C2([NH+](C)C)CCCC2)N(C)C)cc1 ZINC001456928846 1109370135 /nfs/dbraw/zinc/37/01/35/1109370135.db2.gz DKNIAXKBBXXVQQ-GOSISDBHSA-N 1 3 346.519 2.346 10 10 EECEHO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC001266725888 1177311307 /nfs/dbraw/zinc/31/13/07/1177311307.db2.gz YEZIYGYITQJTMF-ZIFCJYIRSA-N 1 3 347.503 2.327 10 10 EECEHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001333142771 1335970390 /nfs/dbraw/zinc/97/03/90/1335970390.db2.gz ZLUFGVGKQSUDON-ABHNRTSZSA-N 1 3 347.503 2.423 10 10 EECEHO CCOc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c([O-])c1 ZINC000530249845 467968496 /nfs/dbraw/zinc/96/84/96/467968496.db2.gz ZCPVAVHKSBJFOM-GOSISDBHSA-N 1 3 334.460 2.381 10 10 EECEHO COc1ccc(C[NH2+]C/C=C\CNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001483061044 1188361153 /nfs/dbraw/zinc/36/11/53/1188361153.db2.gz RNGPSFFQAJBHDE-YIEVGGLXSA-N 1 3 345.487 2.107 10 10 EECEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc4c(c3)CCO4)cc2)C1 ZINC000850357412 1277196226 /nfs/dbraw/zinc/19/62/26/1277196226.db2.gz IWIVJFPEYLEUAD-HXUWFJFHSA-N 1 3 338.451 2.478 10 10 EECEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4c(c3)CCO4)cc2)C1 ZINC000850357412 1277196232 /nfs/dbraw/zinc/19/62/32/1277196232.db2.gz IWIVJFPEYLEUAD-HXUWFJFHSA-N 1 3 338.451 2.478 10 10 EECEHO COc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854218616 1292675138 /nfs/dbraw/zinc/67/51/38/1292675138.db2.gz ZGWZVQRHUVGSHU-KCUHQSDYSA-N 1 3 345.487 2.021 10 10 EECEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022913 1342681478 /nfs/dbraw/zinc/68/14/78/1342681478.db2.gz WDHAQCBPGZVBDB-AEFFLSMTSA-N 1 3 347.503 2.472 10 10 EECEHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267819646 1180579169 /nfs/dbraw/zinc/57/91/69/1180579169.db2.gz HAPVTZAKESQIFL-CRAIPNDOSA-N 1 3 347.503 2.330 10 10 EECEHO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1C ZINC001480174391 1099754964 /nfs/dbraw/zinc/75/49/64/1099754964.db2.gz UOXHIFSFOUKPQW-QAQDUYKDSA-N 1 3 333.476 2.081 10 10 EECEHO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001321089264 1333016738 /nfs/dbraw/zinc/01/67/38/1333016738.db2.gz ANYMSSDIEADGOZ-AATRIKPKSA-N 1 3 345.487 2.250 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)cc1C ZINC001507089331 1115102293 /nfs/dbraw/zinc/10/22/93/1115102293.db2.gz MJIFOVNDYLHDDL-INIZCTEOSA-N 1 3 347.503 2.424 10 10 EECEHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001265503151 1323186225 /nfs/dbraw/zinc/18/62/25/1323186225.db2.gz KXSJFBIRYPMEOP-ULQDDVLXSA-N 1 3 333.476 2.081 10 10 EECEHO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001317652440 1332350258 /nfs/dbraw/zinc/35/02/58/1332350258.db2.gz MPAPBIJITLBXBY-GOSISDBHSA-N 1 3 335.492 2.138 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001567023984 1342682524 /nfs/dbraw/zinc/68/25/24/1342682524.db2.gz DHXDNNJQXBICBO-QAPCUYQASA-N 1 3 335.492 2.184 10 10 EECEHO COC1CC([NH2+]Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1 ZINC000769538494 577580168 /nfs/dbraw/zinc/58/01/68/577580168.db2.gz OUJKZRDDAFNJTM-UHFFFAOYSA-N 1 3 329.488 2.486 10 10 EECEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924760096 1206028128 /nfs/dbraw/zinc/02/81/28/1206028128.db2.gz OEXIUXQGQKQLMH-NYTJIUQPSA-N 1 3 347.478 2.217 10 10 EECEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924760096 1206028132 /nfs/dbraw/zinc/02/81/32/1206028132.db2.gz OEXIUXQGQKQLMH-NYTJIUQPSA-N 1 3 347.478 2.217 10 10 EECEHO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2nc[nH]c2C)cc1C ZINC001668287565 1355915855 /nfs/dbraw/zinc/91/58/55/1355915855.db2.gz AFVUIEFNVNSYCU-CQSZACIVSA-N 1 3 344.459 2.262 10 10 EECEHO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000775717896 577443603 /nfs/dbraw/zinc/44/36/03/577443603.db2.gz UGWHBBMBZTUQDE-FXAWDEMLSA-N 1 3 330.520 2.353 10 10 EECEHO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000775717896 577443604 /nfs/dbraw/zinc/44/36/04/577443604.db2.gz UGWHBBMBZTUQDE-FXAWDEMLSA-N 1 3 330.520 2.353 10 10 EECEHO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768669174 577560596 /nfs/dbraw/zinc/56/05/96/577560596.db2.gz DYEWMWOCIRTBPX-UTKZUKDTSA-N 1 3 342.531 2.258 10 10 EECEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760590 1206028218 /nfs/dbraw/zinc/02/82/18/1206028218.db2.gz QDRXNZWRWWYRCH-PMSBKCLSSA-N 1 3 343.515 2.325 10 10 EECEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760590 1206028221 /nfs/dbraw/zinc/02/82/21/1206028221.db2.gz QDRXNZWRWWYRCH-PMSBKCLSSA-N 1 3 343.515 2.325 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)cc1C ZINC001662219694 1354764805 /nfs/dbraw/zinc/76/48/05/1354764805.db2.gz NAFDPSWRSYDPTB-AEFFLSMTSA-N 1 3 347.503 2.471 10 10 EECEHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001266569931 1176863783 /nfs/dbraw/zinc/86/37/83/1176863783.db2.gz RFAIOFMOIJZYLN-KRWDZBQOSA-N 1 3 333.476 2.034 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1C ZINC001277846342 1304866304 /nfs/dbraw/zinc/86/63/04/1304866304.db2.gz RWXQIYGSJVRAOY-MRXNPFEDSA-N 1 3 347.503 2.424 10 10 EECEHO COc1ccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)cc1C ZINC001499249904 1112200436 /nfs/dbraw/zinc/20/04/36/1112200436.db2.gz WGNIHHPDAOCPSV-UHFFFAOYSA-N 1 3 345.487 2.226 10 10 EECEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000926725785 1206240136 /nfs/dbraw/zinc/24/01/36/1206240136.db2.gz UBXFDIZQEGZTDD-XEWABKELSA-N 1 3 329.488 2.078 10 10 EECEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000926725785 1206240137 /nfs/dbraw/zinc/24/01/37/1206240137.db2.gz UBXFDIZQEGZTDD-XEWABKELSA-N 1 3 329.488 2.078 10 10 EECEHO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C(C)C)C2)cc1C ZINC001691758024 1357584642 /nfs/dbraw/zinc/58/46/42/1357584642.db2.gz PYVFNJKTWVVTLI-HDICACEKSA-N 1 3 347.503 2.328 10 10 EECEHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267819648 1180579597 /nfs/dbraw/zinc/57/95/97/1180579597.db2.gz HAPVTZAKESQIFL-QAPCUYQASA-N 1 3 347.503 2.330 10 10 EECEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc4c(c3)CCO4)cc2)C1 ZINC000850357411 1277196034 /nfs/dbraw/zinc/19/60/34/1277196034.db2.gz IWIVJFPEYLEUAD-FQEVSTJZSA-N 1 3 338.451 2.478 10 10 EECEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4c(c3)CCO4)cc2)C1 ZINC000850357411 1277196037 /nfs/dbraw/zinc/19/60/37/1277196037.db2.gz IWIVJFPEYLEUAD-FQEVSTJZSA-N 1 3 338.451 2.478 10 10 EECEHO CCN(CC)[C@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001339602817 1337036060 /nfs/dbraw/zinc/03/60/60/1337036060.db2.gz BHINKUWIBWZUDF-MRXNPFEDSA-N 1 3 336.499 2.397 10 10 EECEHO CC[NH+](CC)[C@H](C)CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001339602817 1337036063 /nfs/dbraw/zinc/03/60/63/1337036063.db2.gz BHINKUWIBWZUDF-MRXNPFEDSA-N 1 3 336.499 2.397 10 10 EECEHO CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C)cc1[O-] ZINC000925848435 1206160237 /nfs/dbraw/zinc/16/02/37/1206160237.db2.gz APFIEKQOLBAEIP-HOCLYGCPSA-N 1 3 332.444 2.427 10 10 EECEHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001277987991 1305608898 /nfs/dbraw/zinc/60/88/98/1305608898.db2.gz MCHQGYQCZIAPKK-DOTOQJQBSA-N 1 3 335.492 2.280 10 10 EECEHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001321875082 1333171904 /nfs/dbraw/zinc/17/19/04/1333171904.db2.gz DKMGXOFGSOBEIK-HNNXBMFYSA-N 1 3 333.476 2.082 10 10 EECEHO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001320508555 1332900182 /nfs/dbraw/zinc/90/01/82/1332900182.db2.gz BAUVQDKZXMRZNT-SJLPKXTDSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001320508555 1332900185 /nfs/dbraw/zinc/90/01/85/1332900185.db2.gz BAUVQDKZXMRZNT-SJLPKXTDSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@@H]1C[C@H](N(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@@H+]1C ZINC001320508555 1332900187 /nfs/dbraw/zinc/90/01/87/1332900187.db2.gz BAUVQDKZXMRZNT-SJLPKXTDSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@@H]1C[C@H](N(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@H+]1C ZINC001320508555 1332900192 /nfs/dbraw/zinc/90/01/92/1332900192.db2.gz BAUVQDKZXMRZNT-SJLPKXTDSA-N 1 3 348.510 2.492 10 10 EECEHO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001321089267 1333016604 /nfs/dbraw/zinc/01/66/04/1333016604.db2.gz ANYMSSDIEADGOZ-WAYWQWQTSA-N 1 3 345.487 2.250 10 10 EECEHO Cc1cc(Cl)cc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843122326 1315848705 /nfs/dbraw/zinc/84/87/05/1315848705.db2.gz QQUXSPVCODXJAL-HNNXBMFYSA-N 1 3 339.867 2.174 10 10 EECEHO COc1ccc(CNC2(CNC(=O)C3(C[NH+](C)C)CC3)CC2)cc1C ZINC001323525509 1333482837 /nfs/dbraw/zinc/48/28/37/1333482837.db2.gz OUODSQRESIUKMW-UHFFFAOYSA-N 1 3 345.487 2.084 10 10 EECEHO Cc1ccc(O)c(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000377717188 467124964 /nfs/dbraw/zinc/12/49/64/467124964.db2.gz NJWUNQRYBRKMGV-DFNIBXOVSA-N 1 3 329.488 2.443 10 10 EECEHO Cc1ccc(O)c(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000377717188 467124967 /nfs/dbraw/zinc/12/49/67/467124967.db2.gz NJWUNQRYBRKMGV-DFNIBXOVSA-N 1 3 329.488 2.443 10 10 EECEHO COc1ccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001483061041 1188360950 /nfs/dbraw/zinc/36/09/50/1188360950.db2.gz RNGPSFFQAJBHDE-APHBUQMISA-N 1 3 345.487 2.107 10 10 EECEHO Cc1cc(Cl)cc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843122328 1315848572 /nfs/dbraw/zinc/84/85/72/1315848572.db2.gz QQUXSPVCODXJAL-OAHLLOKOSA-N 1 3 339.867 2.174 10 10 EECEHO c1cc(N2CCOCC2)ccc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088242 1315472411 /nfs/dbraw/zinc/47/24/11/1315472411.db2.gz TYMOTOAZBMJXEQ-ICSRJNTNSA-N 1 3 329.488 2.487 10 10 EECEHO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)cc1C ZINC001569188051 1125153576 /nfs/dbraw/zinc/15/35/76/1125153576.db2.gz BNOSHTGYMDTEIA-KRWDZBQOSA-N 1 3 333.476 2.036 10 10 EECEHO C[NH2+]CCOCCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000863543242 1296326866 /nfs/dbraw/zinc/32/68/66/1296326866.db2.gz METBPNOLLFQJLY-AWEZNQCLSA-N 1 3 341.883 2.063 10 10 EECEHO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC001266725887 1177311536 /nfs/dbraw/zinc/31/15/36/1177311536.db2.gz YEZIYGYITQJTMF-SCTDSRPQSA-N 1 3 347.503 2.327 10 10 EECEHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267819647 1180579010 /nfs/dbraw/zinc/57/90/10/1180579010.db2.gz HAPVTZAKESQIFL-MAUKXSAKSA-N 1 3 347.503 2.330 10 10 EECEHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001319534011 1332716994 /nfs/dbraw/zinc/71/69/94/1332716994.db2.gz NFKIGQFSOAFFCZ-WBVHZDCISA-N 1 3 335.492 2.280 10 10 EECEHO CN1CCN(c2ccc(CN[C@H]3CC[NH2+]CC(C)(C)C3)cc2F)CC1 ZINC001329702860 1334699822 /nfs/dbraw/zinc/69/98/22/1334699822.db2.gz SSLMSGDWMUVQQB-KRWDZBQOSA-N 1 3 348.510 2.445 10 10 EECEHO COc1ccc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1C ZINC001699651199 1405430231 /nfs/dbraw/zinc/43/02/31/1405430231.db2.gz MSKZAWDUPWGFMK-NVXWUHKLSA-N 1 3 345.487 2.082 10 10 EECEHO COc1ccc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1C ZINC001699651199 1405430239 /nfs/dbraw/zinc/43/02/39/1405430239.db2.gz MSKZAWDUPWGFMK-NVXWUHKLSA-N 1 3 345.487 2.082 10 10 EECEHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)CN(C)C(C)C)C2)cc1C ZINC001279328732 1323876159 /nfs/dbraw/zinc/87/61/59/1323876159.db2.gz KUIQAVSWMHXJKC-UHFFFAOYSA-N 1 3 347.503 2.423 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)cc1C ZINC001662219697 1354764912 /nfs/dbraw/zinc/76/49/12/1354764912.db2.gz NAFDPSWRSYDPTB-WMZOPIPTSA-N 1 3 347.503 2.471 10 10 EECEHO Cc1c(C[C@H](C[NH3+])CN(C)Cc2ccc(N(C)C)cc2)cnn1C ZINC000903872741 1242258805 /nfs/dbraw/zinc/25/88/05/1242258805.db2.gz BELSMBQOSZSPIC-QGZVFWFLSA-N 1 3 329.492 2.044 10 10 EECEHO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001495741625 1101510880 /nfs/dbraw/zinc/51/08/80/1101510880.db2.gz BZNGTXWUNMBBEC-JKSUJKDBSA-N 1 3 347.503 2.187 10 10 EECEHO COc1ccc(CNC/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001483082068 1188443246 /nfs/dbraw/zinc/44/32/46/1188443246.db2.gz JXINUNCBGMDMGC-SHCNBLLESA-N 1 3 345.487 2.107 10 10 EECEHO COc1ccc(CNC/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001483082068 1188443249 /nfs/dbraw/zinc/44/32/49/1188443249.db2.gz JXINUNCBGMDMGC-SHCNBLLESA-N 1 3 345.487 2.107 10 10 EECEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@H]2CCC[C@H]21 ZINC000375792962 466876187 /nfs/dbraw/zinc/87/61/87/466876187.db2.gz RMFXJZCHCFHWGR-HSALFYBXSA-N 1 3 329.488 2.486 10 10 EECEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@H]2CCC[C@H]21 ZINC000375792962 466876190 /nfs/dbraw/zinc/87/61/90/466876190.db2.gz RMFXJZCHCFHWGR-HSALFYBXSA-N 1 3 329.488 2.486 10 10 EECEHO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1C ZINC001273019446 1194326720 /nfs/dbraw/zinc/32/67/20/1194326720.db2.gz WHDCIHHUKRXCJE-RDJZCZTQSA-N 1 3 347.503 2.330 10 10 EECEHO c1cc(N2CCOCC2)ccc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088241 1315472342 /nfs/dbraw/zinc/47/23/42/1315472342.db2.gz TYMOTOAZBMJXEQ-AZUAARDMSA-N 1 3 329.488 2.487 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2nc[nH]c2C)cc1C ZINC001480804575 1107147974 /nfs/dbraw/zinc/14/79/74/1107147974.db2.gz CCBHAEOMXBRXLO-CQSZACIVSA-N 1 3 344.459 2.262 10 10 EECEHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001505505338 1114027492 /nfs/dbraw/zinc/02/74/92/1114027492.db2.gz DIANKKIKIYFUCA-DAWZGUTISA-N 1 3 347.503 2.328 10 10 EECEHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001691463493 1178886035 /nfs/dbraw/zinc/88/60/35/1178886035.db2.gz NNQALCJVBQBIFO-KSZLIROESA-N 1 3 347.503 2.328 10 10 EECEHO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)cc1C ZINC001568319209 1124418370 /nfs/dbraw/zinc/41/83/70/1124418370.db2.gz KYSNVDUQBUMIKG-INIZCTEOSA-N 1 3 333.476 2.036 10 10 EECEHO Cc1c(C[C@@H](C[NH3+])CN(C)Cc2ccc(N(C)C)cc2)cnn1C ZINC000903872740 1242257898 /nfs/dbraw/zinc/25/78/98/1242257898.db2.gz BELSMBQOSZSPIC-KRWDZBQOSA-N 1 3 329.492 2.044 10 10 EECEHO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000841100576 1315475613 /nfs/dbraw/zinc/47/56/13/1315475613.db2.gz ZNJGELVCUANUKO-SIEMBAAWSA-N 1 3 340.475 2.153 10 10 EECEHO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000841100576 1315475617 /nfs/dbraw/zinc/47/56/17/1315475617.db2.gz ZNJGELVCUANUKO-SIEMBAAWSA-N 1 3 340.475 2.153 10 10 EECEHO c1cc(N2CCOCC2)ccc1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960051 1242733694 /nfs/dbraw/zinc/73/36/94/1242733694.db2.gz VWQKOTJKELTEJP-HXUWFJFHSA-N 1 3 329.488 2.489 10 10 EECEHO COc1cc(O)c(C[N@H+](CCN)CCc2ccccc2)cc1OC ZINC000843121347 1315847993 /nfs/dbraw/zinc/84/79/93/1315847993.db2.gz FFLQYOSFWFSHBN-UHFFFAOYSA-N 1 3 330.428 2.413 10 10 EECEHO COc1cc(O)c(C[N@@H+](CCN)CCc2ccccc2)cc1OC ZINC000843121347 1315847996 /nfs/dbraw/zinc/84/79/96/1315847996.db2.gz FFLQYOSFWFSHBN-UHFFFAOYSA-N 1 3 330.428 2.413 10 10 EECEHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1)N(C)C ZINC001499351522 1112245859 /nfs/dbraw/zinc/24/58/59/1112245859.db2.gz KKMHAEBDQFLZAG-INIZCTEOSA-N 1 3 333.476 2.082 10 10 EECEHO COc1ccc(C[NH2+]CCN(C)C(=O)CN2CCC(C)CC2)cc1C ZINC001266911819 1177784586 /nfs/dbraw/zinc/78/45/86/1177784586.db2.gz WGHQAHMQYOVCQB-UHFFFAOYSA-N 1 3 347.503 2.284 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001265782881 1323378711 /nfs/dbraw/zinc/37/87/11/1323378711.db2.gz CYFKMUJXPMHHBA-OAHLLOKOSA-N 1 3 333.476 2.082 10 10 EECEHO CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001326222694 1334046656 /nfs/dbraw/zinc/04/66/56/1334046656.db2.gz QIOPZOWHLGOEST-JWTNVVGKSA-N 1 3 346.494 2.292 10 10 EECEHO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)cc1C ZINC001317082914 1332072747 /nfs/dbraw/zinc/07/27/47/1332072747.db2.gz VSJZQHGJDISMKS-QAQDUYKDSA-N 1 3 345.487 2.225 10 10 EECEHO [O-]c1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)[C@H](O)CO2 ZINC000768447434 577555958 /nfs/dbraw/zinc/55/59/58/577555958.db2.gz OXCQMAIZTRRAET-GOSISDBHSA-N 1 3 332.444 2.126 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)cc1C ZINC001485960699 1193659891 /nfs/dbraw/zinc/65/98/91/1193659891.db2.gz KMAXZHLMYDULOQ-INIZCTEOSA-N 1 3 335.492 2.280 10 10 EECEHO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1C ZINC001273019443 1194326665 /nfs/dbraw/zinc/32/66/65/1194326665.db2.gz WHDCIHHUKRXCJE-DOTOQJQBSA-N 1 3 347.503 2.330 10 10 EECEHO CCN1CCN(c2ccc(CN[C@@H]3C[C@@H]([NH3+])C34CCC4)cc2F)CC1 ZINC000925561112 1206128184 /nfs/dbraw/zinc/12/81/84/1206128184.db2.gz YQOKRZOIMQYQFC-RTBURBONSA-N 1 3 346.494 2.327 10 10 EECEHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1)N(C)C ZINC001502017709 1113560730 /nfs/dbraw/zinc/56/07/30/1113560730.db2.gz SAILHYNXUYISGB-QGZVFWFLSA-N 1 3 347.503 2.472 10 10 EECEHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001271013288 1185811952 /nfs/dbraw/zinc/81/19/52/1185811952.db2.gz NFKIGQFSOAFFCZ-DOTOQJQBSA-N 1 3 335.492 2.280 10 10 EECEHO COc1ccc(C[NH2+]C/C=C\CNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001483061042 1188361363 /nfs/dbraw/zinc/36/13/63/1188361363.db2.gz RNGPSFFQAJBHDE-AWFCHZOYSA-N 1 3 345.487 2.107 10 10 EECEHO C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000854232301 1292682084 /nfs/dbraw/zinc/68/20/84/1292682084.db2.gz RZKIBPUFTSKIJL-CYBMUJFWSA-N 1 3 337.439 2.173 10 10 EECEHO c1cc(N2CCN(CC3CC3)CC2)ccc1C[NH2+][C@H]1CCCOC1 ZINC000773147787 577319114 /nfs/dbraw/zinc/31/91/14/577319114.db2.gz UQZUTXIFHADRFE-IBGZPJMESA-N 1 3 329.488 2.487 10 10 EECEHO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)cc1C ZINC001568277897 1124400359 /nfs/dbraw/zinc/40/03/59/1124400359.db2.gz ISQUNLUCIPCQLQ-MRXNPFEDSA-N 1 3 347.503 2.424 10 10 EECEHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269412836 1184248063 /nfs/dbraw/zinc/24/80/63/1184248063.db2.gz MHGXAHXGMDDSEC-KRWDZBQOSA-N 1 3 347.503 2.472 10 10 EECEHO CN(C)c1ccc(/C=C\CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125478 1315849252 /nfs/dbraw/zinc/84/92/52/1315849252.db2.gz XJNSBLXIDAUGMT-JXCVUKRWSA-N 1 3 329.488 2.453 10 10 EECEHO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768669173 577560546 /nfs/dbraw/zinc/56/05/46/577560546.db2.gz DYEWMWOCIRTBPX-LAUBAEHRSA-N 1 3 342.531 2.258 10 10 EECEHO CN1CCN(c2ccc(CN3CCC(C)([NH+]4CCC4)CC3)cc2)CC1 ZINC000895671565 684681928 /nfs/dbraw/zinc/68/19/28/684681928.db2.gz QVIHAUJQVLRSKR-UHFFFAOYSA-N 1 3 342.531 2.499 10 10 EECEHO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001268670529 1183595189 /nfs/dbraw/zinc/59/51/89/1183595189.db2.gz CKOZFRBHXQBQHL-CRAIPNDOSA-N 1 3 335.492 2.184 10 10 EECEHO COC(=O)c1c(CNCC2=CC[N@H+](C)CC2)c2cc(F)ccc2n1C ZINC001332705876 1335886925 /nfs/dbraw/zinc/88/69/25/1335886925.db2.gz SKYJEJIQXDGCOF-UHFFFAOYSA-N 1 3 345.418 2.456 10 10 EECEHO COC(=O)c1c(CNCC2=CC[N@@H+](C)CC2)c2cc(F)ccc2n1C ZINC001332705876 1335886930 /nfs/dbraw/zinc/88/69/30/1335886930.db2.gz SKYJEJIQXDGCOF-UHFFFAOYSA-N 1 3 345.418 2.456 10 10 EECEHO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000775717897 577443588 /nfs/dbraw/zinc/44/35/88/577443588.db2.gz UGWHBBMBZTUQDE-PXNSSMCTSA-N 1 3 330.520 2.353 10 10 EECEHO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000775717897 577443589 /nfs/dbraw/zinc/44/35/89/577443589.db2.gz UGWHBBMBZTUQDE-PXNSSMCTSA-N 1 3 330.520 2.353 10 10 EECEHO COc1ccc(CNC/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001483082069 1188443474 /nfs/dbraw/zinc/44/34/74/1188443474.db2.gz JXINUNCBGMDMGC-WRFKIARRSA-N 1 3 345.487 2.107 10 10 EECEHO COc1ccc(CNC/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001483082069 1188443475 /nfs/dbraw/zinc/44/34/75/1188443475.db2.gz JXINUNCBGMDMGC-WRFKIARRSA-N 1 3 345.487 2.107 10 10 EECEHO CN(C)c1ccc(/C=C/CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125479 1315849086 /nfs/dbraw/zinc/84/90/86/1315849086.db2.gz XJNSBLXIDAUGMT-OAJJDEHYSA-N 1 3 329.488 2.453 10 10 EECEHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001674582961 1356860756 /nfs/dbraw/zinc/86/07/56/1356860756.db2.gz DIANKKIKIYFUCA-ABHNRTSZSA-N 1 3 347.503 2.328 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)cc1C ZINC001331562225 1335037054 /nfs/dbraw/zinc/03/70/54/1335037054.db2.gz XIAOUYXPSHDOIT-DOTOQJQBSA-N 1 3 347.503 2.282 10 10 EECEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022916 1342681826 /nfs/dbraw/zinc/68/18/26/1342681826.db2.gz WDHAQCBPGZVBDB-WMZOPIPTSA-N 1 3 347.503 2.472 10 10 EECEHO CC(C)C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)NCC[NH+](C)C ZINC000921940172 798246999 /nfs/dbraw/zinc/24/69/99/798246999.db2.gz MZODBDPVQRCEID-SFHVURJKSA-N 1 3 347.503 2.194 10 10 EECEHO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001268670530 1183595038 /nfs/dbraw/zinc/59/50/38/1183595038.db2.gz CKOZFRBHXQBQHL-QAPCUYQASA-N 1 3 335.492 2.184 10 10 EECEHO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1C ZINC001268056212 1181618626 /nfs/dbraw/zinc/61/86/26/1181618626.db2.gz RDIZNCGKDLKDMY-NVXWUHKLSA-N 1 3 333.476 2.034 10 10 EECEHO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)cc1C ZINC001276173131 1205813855 /nfs/dbraw/zinc/81/38/55/1205813855.db2.gz BNOSHTGYMDTEIA-QGZVFWFLSA-N 1 3 333.476 2.036 10 10 EECEHO C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001304769322 1331394846 /nfs/dbraw/zinc/39/48/46/1331394846.db2.gz VATLLSUTKSGTDT-YJBOKZPZSA-N 1 3 334.508 2.059 10 10 EECEHO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001320508556 1332900345 /nfs/dbraw/zinc/90/03/45/1332900345.db2.gz BAUVQDKZXMRZNT-WMZOPIPTSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001320508556 1332900347 /nfs/dbraw/zinc/90/03/47/1332900347.db2.gz BAUVQDKZXMRZNT-WMZOPIPTSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@H]1C[C@@H](N(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@@H+]1C ZINC001320508556 1332900350 /nfs/dbraw/zinc/90/03/50/1332900350.db2.gz BAUVQDKZXMRZNT-WMZOPIPTSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@H]1C[C@@H](N(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@H+]1C ZINC001320508556 1332900351 /nfs/dbraw/zinc/90/03/51/1332900351.db2.gz BAUVQDKZXMRZNT-WMZOPIPTSA-N 1 3 348.510 2.492 10 10 EECEHO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001273019445 1194326755 /nfs/dbraw/zinc/32/67/55/1194326755.db2.gz WHDCIHHUKRXCJE-NVXWUHKLSA-N 1 3 347.503 2.330 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)cc1C ZINC001265782907 1323378377 /nfs/dbraw/zinc/37/83/77/1323378377.db2.gz DDXJYMNMTVYMEF-OAHLLOKOSA-N 1 3 333.476 2.082 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001567230523 1342713357 /nfs/dbraw/zinc/71/33/57/1342713357.db2.gz KFJBUFHPBVHXJN-DOTOQJQBSA-N 1 3 347.503 2.330 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)cc1C ZINC001331562226 1335037140 /nfs/dbraw/zinc/03/71/40/1335037140.db2.gz XIAOUYXPSHDOIT-NVXWUHKLSA-N 1 3 347.503 2.282 10 10 EECEHO CCN1CCN(c2ccc(CN[C@H]3C[C@@H]([NH3+])C34CCC4)cc2F)CC1 ZINC000925561102 1206128332 /nfs/dbraw/zinc/12/83/32/1206128332.db2.gz YQOKRZOIMQYQFC-MOPGFXCFSA-N 1 3 346.494 2.327 10 10 EECEHO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001320508553 1332899937 /nfs/dbraw/zinc/89/99/37/1332899937.db2.gz BAUVQDKZXMRZNT-AEFFLSMTSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001320508553 1332899939 /nfs/dbraw/zinc/89/99/39/1332899939.db2.gz BAUVQDKZXMRZNT-AEFFLSMTSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@@H+]1C ZINC001320508553 1332899941 /nfs/dbraw/zinc/89/99/41/1332899941.db2.gz BAUVQDKZXMRZNT-AEFFLSMTSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@H+]1C ZINC001320508553 1332899942 /nfs/dbraw/zinc/89/99/42/1332899942.db2.gz BAUVQDKZXMRZNT-AEFFLSMTSA-N 1 3 348.510 2.492 10 10 EECEHO Cc1cccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1O ZINC000377695969 467118915 /nfs/dbraw/zinc/11/89/15/467118915.db2.gz KJDLXYNVTWKRIT-DFNIBXOVSA-N 1 3 329.488 2.443 10 10 EECEHO Cc1cccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1O ZINC000377695969 467118919 /nfs/dbraw/zinc/11/89/19/467118919.db2.gz KJDLXYNVTWKRIT-DFNIBXOVSA-N 1 3 329.488 2.443 10 10 EECEHO CCOc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000530247583 467968200 /nfs/dbraw/zinc/96/82/00/467968200.db2.gz AXPRTGILEUFXPH-QGZVFWFLSA-N 1 3 334.460 2.381 10 10 EECEHO CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000775680379 577442675 /nfs/dbraw/zinc/44/26/75/577442675.db2.gz BOONSGGKJCMYMH-HXUWFJFHSA-N 1 3 328.504 2.107 10 10 EECEHO CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000775680379 577442676 /nfs/dbraw/zinc/44/26/76/577442676.db2.gz BOONSGGKJCMYMH-HXUWFJFHSA-N 1 3 328.504 2.107 10 10 EECEHO CN1CCN(c2ccc(C[N@H+](C)[C@@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000775680379 577442677 /nfs/dbraw/zinc/44/26/77/577442677.db2.gz BOONSGGKJCMYMH-HXUWFJFHSA-N 1 3 328.504 2.107 10 10 EECEHO CN1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000775680379 577442678 /nfs/dbraw/zinc/44/26/78/577442678.db2.gz BOONSGGKJCMYMH-HXUWFJFHSA-N 1 3 328.504 2.107 10 10 EECEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001571490952 1343219101 /nfs/dbraw/zinc/21/91/01/1343219101.db2.gz LDUZYNAOYLVMLZ-SJLPKXTDSA-N 1 3 347.503 2.424 10 10 EECEHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267819649 1180579476 /nfs/dbraw/zinc/57/94/76/1180579476.db2.gz HAPVTZAKESQIFL-YJBOKZPZSA-N 1 3 347.503 2.330 10 10 EECEHO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768669172 577560592 /nfs/dbraw/zinc/56/05/92/577560592.db2.gz DYEWMWOCIRTBPX-DYESRHJHSA-N 1 3 342.531 2.258 10 10 EECEHO COc1ccc(CNC/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001483082067 1188443263 /nfs/dbraw/zinc/44/32/63/1188443263.db2.gz JXINUNCBGMDMGC-PYTPGESOSA-N 1 3 345.487 2.107 10 10 EECEHO COc1ccc(CNC/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001483082067 1188443267 /nfs/dbraw/zinc/44/32/67/1188443267.db2.gz JXINUNCBGMDMGC-PYTPGESOSA-N 1 3 345.487 2.107 10 10 EECEHO C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000863543884 1296327389 /nfs/dbraw/zinc/32/73/89/1296327389.db2.gz FPGZWJXXURSMIT-LLVKDONJSA-N 1 3 331.254 2.350 10 10 EECEHO Cn1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000092856021 1214678653 /nfs/dbraw/zinc/67/86/53/1214678653.db2.gz KCKFRBZGZJVALV-UHFFFAOYSA-N 1 3 339.487 2.242 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001567230524 1342713319 /nfs/dbraw/zinc/71/33/19/1342713319.db2.gz KFJBUFHPBVHXJN-NVXWUHKLSA-N 1 3 347.503 2.330 10 10 EECEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001571490950 1343219323 /nfs/dbraw/zinc/21/93/23/1343219323.db2.gz LDUZYNAOYLVMLZ-AEFFLSMTSA-N 1 3 347.503 2.424 10 10 EECEHO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000841100575 1315475754 /nfs/dbraw/zinc/47/57/54/1315475754.db2.gz ZNJGELVCUANUKO-MEDHRJKHSA-N 1 3 340.475 2.153 10 10 EECEHO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000841100575 1315475756 /nfs/dbraw/zinc/47/57/56/1315475756.db2.gz ZNJGELVCUANUKO-MEDHRJKHSA-N 1 3 340.475 2.153 10 10 EECEHO CN(C)c1ccc(/C=C/CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125480 1315849121 /nfs/dbraw/zinc/84/91/21/1315849121.db2.gz XJNSBLXIDAUGMT-WHLIDYPQSA-N 1 3 329.488 2.453 10 10 EECEHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001656139878 1354207430 /nfs/dbraw/zinc/20/74/30/1354207430.db2.gz NNQALCJVBQBIFO-FGTMMUONSA-N 1 3 347.503 2.328 10 10 EECEHO CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C)cc1[O-] ZINC000925848434 1206159966 /nfs/dbraw/zinc/15/99/66/1206159966.db2.gz APFIEKQOLBAEIP-GOEBONIOSA-N 1 3 332.444 2.427 10 10 EECEHO [O-]c1cc2c(cc1C[NH2+]CC1CC[NH+](C3CCOCC3)CC1)OCO2 ZINC000850344873 1277191154 /nfs/dbraw/zinc/19/11/54/1277191154.db2.gz ZPPKSYCPPCHRCH-UHFFFAOYSA-N 1 3 348.443 2.102 10 10 EECEHO [NH3+]CCCOCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000863649892 1296365746 /nfs/dbraw/zinc/36/57/46/1296365746.db2.gz KELDPYSGEGUTND-UHFFFAOYSA-N 1 3 336.436 2.040 10 10 EECEHO COc1ccc(CNC/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001483082070 1188443455 /nfs/dbraw/zinc/44/34/55/1188443455.db2.gz JXINUNCBGMDMGC-XDXAGZTOSA-N 1 3 345.487 2.107 10 10 EECEHO COc1ccc(CNC/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001483082070 1188443456 /nfs/dbraw/zinc/44/34/56/1188443456.db2.gz JXINUNCBGMDMGC-XDXAGZTOSA-N 1 3 345.487 2.107 10 10 EECEHO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)cc1C ZINC001569428782 1342868468 /nfs/dbraw/zinc/86/84/68/1342868468.db2.gz JTPAYOHPJLGAJC-GOSISDBHSA-N 1 3 347.503 2.328 10 10 EECEHO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)cc1C ZINC001507089333 1115102406 /nfs/dbraw/zinc/10/24/06/1115102406.db2.gz MJIFOVNDYLHDDL-MRXNPFEDSA-N 1 3 347.503 2.424 10 10 EECEHO c1cc(N2CCOCC2)ccc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088247 1315472096 /nfs/dbraw/zinc/47/20/96/1315472096.db2.gz TYMOTOAZBMJXEQ-UYAOXDASSA-N 1 3 329.488 2.487 10 10 EECEHO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCN3C(C)(C)C)cc2)CC1 ZINC000850344257 1277189180 /nfs/dbraw/zinc/18/91/80/1277189180.db2.gz ZNOLDUJFRHMZPC-IBGZPJMESA-N 1 3 330.520 2.401 10 10 EECEHO COc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854218618 1292674915 /nfs/dbraw/zinc/67/49/15/1292674915.db2.gz ZGWZVQRHUVGSHU-YGWPLHOASA-N 1 3 345.487 2.021 10 10 EECEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001498197656 1107063869 /nfs/dbraw/zinc/06/38/69/1107063869.db2.gz UHOUDOODSSLLJV-FUHWJXTLSA-N 1 3 347.503 2.472 10 10 EECEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000375792966 466876126 /nfs/dbraw/zinc/87/61/26/466876126.db2.gz RMFXJZCHCFHWGR-UFYCRDLUSA-N 1 3 329.488 2.486 10 10 EECEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000375792966 466876130 /nfs/dbraw/zinc/87/61/30/466876130.db2.gz RMFXJZCHCFHWGR-UFYCRDLUSA-N 1 3 329.488 2.486 10 10 EECEHO COc1ccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)cc1C ZINC001670797821 1183428720 /nfs/dbraw/zinc/42/87/20/1183428720.db2.gz NOULFTCFVNWEQO-UHFFFAOYSA-N 1 3 345.487 2.226 10 10 EECEHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C)cc1C ZINC001274296153 1204988228 /nfs/dbraw/zinc/98/82/28/1204988228.db2.gz AVHHBUMCPLHBCF-FUHWJXTLSA-N 1 3 347.503 2.280 10 10 EECEHO c1cc(N2CCOCC2)ccc1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960050 1242734115 /nfs/dbraw/zinc/73/41/15/1242734115.db2.gz VWQKOTJKELTEJP-FQEVSTJZSA-N 1 3 329.488 2.489 10 10 EECEHO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CC2)cc1C ZINC001569428783 1342868796 /nfs/dbraw/zinc/86/87/96/1342868796.db2.gz JTPAYOHPJLGAJC-SFHVURJKSA-N 1 3 347.503 2.328 10 10 EECEHO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001495741620 1101511856 /nfs/dbraw/zinc/51/18/56/1101511856.db2.gz BZNGTXWUNMBBEC-CVEARBPZSA-N 1 3 347.503 2.187 10 10 EECEHO COc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000854218617 1292675667 /nfs/dbraw/zinc/67/56/67/1292675667.db2.gz ZGWZVQRHUVGSHU-MVJPYGJCSA-N 1 3 345.487 2.021 10 10 EECEHO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)cc1C ZINC001317082692 1332072842 /nfs/dbraw/zinc/07/28/42/1332072842.db2.gz RLNHDDRKAWPNDI-QAQDUYKDSA-N 1 3 345.487 2.225 10 10 EECEHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001319534010 1332716819 /nfs/dbraw/zinc/71/68/19/1332716819.db2.gz NFKIGQFSOAFFCZ-RDJZCZTQSA-N 1 3 335.492 2.280 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1C ZINC001277846341 1304866618 /nfs/dbraw/zinc/86/66/18/1304866618.db2.gz RWXQIYGSJVRAOY-INIZCTEOSA-N 1 3 347.503 2.424 10 10 EECEHO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000841100574 1315476019 /nfs/dbraw/zinc/47/60/19/1315476019.db2.gz ZNJGELVCUANUKO-JUGMSXHOSA-N 1 3 340.475 2.153 10 10 EECEHO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000841100574 1315476021 /nfs/dbraw/zinc/47/60/21/1315476021.db2.gz ZNJGELVCUANUKO-JUGMSXHOSA-N 1 3 340.475 2.153 10 10 EECEHO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1(N(C)C)CCC1 ZINC001320757130 1332946931 /nfs/dbraw/zinc/94/69/31/1332946931.db2.gz YIUKEHJQROUWFP-UHFFFAOYSA-N 1 3 347.503 2.426 10 10 EECEHO CN1CCN(c2ccc(CN[C@@H]3CC[NH2+]CC(C)(C)C3)cc2F)CC1 ZINC001329702864 1334699701 /nfs/dbraw/zinc/69/97/01/1334699701.db2.gz SSLMSGDWMUVQQB-QGZVFWFLSA-N 1 3 348.510 2.445 10 10 EECEHO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)cc1C ZINC001568277896 1124400510 /nfs/dbraw/zinc/40/05/10/1124400510.db2.gz ISQUNLUCIPCQLQ-INIZCTEOSA-N 1 3 347.503 2.424 10 10 EECEHO COc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000854218615 1292674969 /nfs/dbraw/zinc/67/49/69/1292674969.db2.gz ZGWZVQRHUVGSHU-JOCLIGHLSA-N 1 3 345.487 2.021 10 10 EECEHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001277987996 1305608871 /nfs/dbraw/zinc/60/88/71/1305608871.db2.gz MCHQGYQCZIAPKK-RDJZCZTQSA-N 1 3 335.492 2.280 10 10 EECEHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269412837 1184248219 /nfs/dbraw/zinc/24/82/19/1184248219.db2.gz MHGXAHXGMDDSEC-QGZVFWFLSA-N 1 3 347.503 2.472 10 10 EECEHO C[NH2+]CCOCCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000863647788 1296365020 /nfs/dbraw/zinc/36/50/20/1296365020.db2.gz VYFOXFODXOOIRU-UHFFFAOYSA-N 1 3 333.398 2.439 10 10 EECEHO CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122026 1315847720 /nfs/dbraw/zinc/84/77/20/1315847720.db2.gz NNYLBTVONGKFMP-SFFCAUCYSA-N 1 3 344.503 2.085 10 10 EECEHO CCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1[O-] ZINC000121109152 463081530 /nfs/dbraw/zinc/08/15/30/463081530.db2.gz OWAHMXVHQBKTOO-HNNXBMFYSA-N 1 3 336.476 2.316 10 10 EECEHO CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1[O-] ZINC000121109152 463081532 /nfs/dbraw/zinc/08/15/32/463081532.db2.gz OWAHMXVHQBKTOO-HNNXBMFYSA-N 1 3 336.476 2.316 10 10 EECEHO CN(C)c1ccc(/C=C\CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122028 1315847842 /nfs/dbraw/zinc/84/78/42/1315847842.db2.gz NNYLBTVONGKFMP-VOFKWLDRSA-N 1 3 344.503 2.085 10 10 EECEHO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1C ZINC001268056211 1181618955 /nfs/dbraw/zinc/61/89/55/1181618955.db2.gz RDIZNCGKDLKDMY-DOTOQJQBSA-N 1 3 333.476 2.034 10 10 EECEHO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001482108720 1183343507 /nfs/dbraw/zinc/34/35/07/1183343507.db2.gz VPLIERPTGTUBCH-OAHLLOKOSA-N 1 3 347.503 2.330 10 10 EECEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001265503150 1323186401 /nfs/dbraw/zinc/18/64/01/1323186401.db2.gz KXSJFBIRYPMEOP-BRWVUGGUSA-N 1 3 333.476 2.081 10 10 EECEHO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001321540998 1333120876 /nfs/dbraw/zinc/12/08/76/1333120876.db2.gz DKMGXOFGSOBEIK-OAHLLOKOSA-N 1 3 333.476 2.082 10 10 EECEHO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001495741624 1101511509 /nfs/dbraw/zinc/51/15/09/1101511509.db2.gz BZNGTXWUNMBBEC-HZPDHXFCSA-N 1 3 347.503 2.187 10 10 EECEHO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCCN1C ZINC001482914052 1187840123 /nfs/dbraw/zinc/84/01/23/1187840123.db2.gz HFCVBMCUOGSSDE-KRWDZBQOSA-N 1 3 333.476 2.036 10 10 EECEHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2c1c(F)ccc2[O-] ZINC000925854929 1206161297 /nfs/dbraw/zinc/16/12/97/1206161297.db2.gz KHPRGIRUMFLPQM-BZPMIXESSA-N 1 3 348.418 2.355 10 10 EECEHO CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C)cc1[O-] ZINC000925848433 1206160103 /nfs/dbraw/zinc/16/01/03/1206160103.db2.gz APFIEKQOLBAEIP-GDBMZVCRSA-N 1 3 332.444 2.427 10 10 EECEHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001277987995 1305608636 /nfs/dbraw/zinc/60/86/36/1305608636.db2.gz MCHQGYQCZIAPKK-NVXWUHKLSA-N 1 3 335.492 2.280 10 10 EECEHO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)CN1CC[C@H](C)C1 ZINC001668555112 1355961619 /nfs/dbraw/zinc/96/16/19/1355961619.db2.gz IRNCKCNUHBRBMX-INIZCTEOSA-N 1 3 347.503 2.284 10 10 EECEHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699761697 1405471300 /nfs/dbraw/zinc/47/13/00/1405471300.db2.gz IAOVBZKUAWPXGM-GOSISDBHSA-N 1 3 347.503 2.426 10 10 EECEHO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001482108719 1183343866 /nfs/dbraw/zinc/34/38/66/1183343866.db2.gz VPLIERPTGTUBCH-HNNXBMFYSA-N 1 3 347.503 2.330 10 10 EECEHO C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000854232304 1292680694 /nfs/dbraw/zinc/68/06/94/1292680694.db2.gz RZKIBPUFTSKIJL-ZDUSSCGKSA-N 1 3 337.439 2.173 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001567230525 1342713235 /nfs/dbraw/zinc/71/32/35/1342713235.db2.gz KFJBUFHPBVHXJN-RDJZCZTQSA-N 1 3 347.503 2.330 10 10 EECEHO CCOc1ccc([O-])c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248549 467968439 /nfs/dbraw/zinc/96/84/39/467968439.db2.gz MFFICYQTLMNKJL-GOSISDBHSA-N 1 3 334.460 2.381 10 10 EECEHO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001668555113 1355962591 /nfs/dbraw/zinc/96/25/91/1355962591.db2.gz IRNCKCNUHBRBMX-MRXNPFEDSA-N 1 3 347.503 2.284 10 10 EECEHO CCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[O-] ZINC000121109001 463081466 /nfs/dbraw/zinc/08/14/66/463081466.db2.gz OWAHMXVHQBKTOO-OAHLLOKOSA-N 1 3 336.476 2.316 10 10 EECEHO CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[O-] ZINC000121109001 463081467 /nfs/dbraw/zinc/08/14/67/463081467.db2.gz OWAHMXVHQBKTOO-OAHLLOKOSA-N 1 3 336.476 2.316 10 10 EECEHO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1C ZINC001268056214 1181618286 /nfs/dbraw/zinc/61/82/86/1181618286.db2.gz RDIZNCGKDLKDMY-WBVHZDCISA-N 1 3 333.476 2.034 10 10 EECEHO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCN3C(C)(C)C)cc2)CC1 ZINC000850344258 1277188521 /nfs/dbraw/zinc/18/85/21/1277188521.db2.gz ZNOLDUJFRHMZPC-LJQANCHMSA-N 1 3 330.520 2.401 10 10 EECEHO C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000854232932 1292681052 /nfs/dbraw/zinc/68/10/52/1292681052.db2.gz XYBJBSMDORVOAJ-HNNXBMFYSA-N 1 3 333.476 2.342 10 10 EECEHO CN(C)c1ccc(/C=C/CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122027 1315848024 /nfs/dbraw/zinc/84/80/24/1315848024.db2.gz NNYLBTVONGKFMP-UEKDZROGSA-N 1 3 344.503 2.085 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2nc[nH]c2C)cc1C ZINC001281763428 1325441628 /nfs/dbraw/zinc/44/16/28/1325441628.db2.gz CCBHAEOMXBRXLO-AWEZNQCLSA-N 1 3 344.459 2.262 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001567023985 1342682128 /nfs/dbraw/zinc/68/21/28/1342682128.db2.gz DHXDNNJQXBICBO-YJBOKZPZSA-N 1 3 335.492 2.184 10 10 EECEHO CCOc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000530247581 317704202 /nfs/dbraw/zinc/70/42/02/317704202.db2.gz AXPRTGILEUFXPH-KRWDZBQOSA-N 1 3 334.460 2.381 10 10 EECEHO COc1cc(Br)cc(CNC[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903964843 796284456 /nfs/dbraw/zinc/28/44/56/796284456.db2.gz SLARBMSRMXQJGW-KOLCDFICSA-N 1 3 329.238 2.108 10 10 EECEHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2c1c(F)ccc2[O-] ZINC000925855176 1206161530 /nfs/dbraw/zinc/16/15/30/1206161530.db2.gz KHPRGIRUMFLPQM-YRGRVCCFSA-N 1 3 348.418 2.355 10 10 EECEHO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001273019448 1194326618 /nfs/dbraw/zinc/32/66/18/1194326618.db2.gz WHDCIHHUKRXCJE-WBVHZDCISA-N 1 3 347.503 2.330 10 10 EECEHO C[C@H](CC[NH+](C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001304769308 1331396108 /nfs/dbraw/zinc/39/61/08/1331396108.db2.gz VATLLSUTKSGTDT-CRAIPNDOSA-N 1 3 334.508 2.059 10 10 EECEHO c1cc(N2CCOCC2)ccc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088245 1315472459 /nfs/dbraw/zinc/47/24/59/1315472459.db2.gz TYMOTOAZBMJXEQ-QUCCMNQESA-N 1 3 329.488 2.487 10 10 EECEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001498197658 1107063429 /nfs/dbraw/zinc/06/34/29/1107063429.db2.gz UHOUDOODSSLLJV-WMZOPIPTSA-N 1 3 347.503 2.472 10 10 EECEHO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000841100577 1315475902 /nfs/dbraw/zinc/47/59/02/1315475902.db2.gz ZNJGELVCUANUKO-UABKOXTMSA-N 1 3 340.475 2.153 10 10 EECEHO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000841100577 1315475904 /nfs/dbraw/zinc/47/59/04/1315475904.db2.gz ZNJGELVCUANUKO-UABKOXTMSA-N 1 3 340.475 2.153 10 10 EECEHO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001317598288 1332318271 /nfs/dbraw/zinc/31/82/71/1332318271.db2.gz MPAPBIJITLBXBY-SFHVURJKSA-N 1 3 335.492 2.138 10 10 EECEHO COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001568851675 1124872391 /nfs/dbraw/zinc/87/23/91/1124872391.db2.gz IYHQWNSMAXDPLS-GOVFWEMJSA-N 1 3 345.487 2.106 10 10 EECEHO COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001568851675 1124872403 /nfs/dbraw/zinc/87/24/03/1124872403.db2.gz IYHQWNSMAXDPLS-GOVFWEMJSA-N 1 3 345.487 2.106 10 10 EECEHO CCOc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c([O-])c1 ZINC000530249847 467968035 /nfs/dbraw/zinc/96/80/35/467968035.db2.gz ZCPVAVHKSBJFOM-SFHVURJKSA-N 1 3 334.460 2.381 10 10 EECEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000924715094 693262455 /nfs/dbraw/zinc/26/24/55/693262455.db2.gz KFZPXZYIBMKRFU-MCPYQZEQSA-N 1 3 333.451 2.092 10 10 EECEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000924715094 693262458 /nfs/dbraw/zinc/26/24/58/693262458.db2.gz KFZPXZYIBMKRFU-MCPYQZEQSA-N 1 3 333.451 2.092 10 10 EECEHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001265544526 1323213361 /nfs/dbraw/zinc/21/33/61/1323213361.db2.gz KXSJFBIRYPMEOP-IXDOHACOSA-N 1 3 333.476 2.081 10 10 EECEHO CN1CCN(c2ccc(CN[C@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000843129104 1315849647 /nfs/dbraw/zinc/84/96/47/1315849647.db2.gz REMGJTQYYNNLAT-IBGZPJMESA-N 1 3 328.504 2.203 10 10 EECEHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)cc1C ZINC001265782906 1323378758 /nfs/dbraw/zinc/37/87/58/1323378758.db2.gz DDXJYMNMTVYMEF-HNNXBMFYSA-N 1 3 333.476 2.082 10 10 EECEHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699761706 1405471133 /nfs/dbraw/zinc/47/11/33/1405471133.db2.gz IAOVBZKUAWPXGM-SFHVURJKSA-N 1 3 347.503 2.426 10 10 EECEHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1C ZINC001498053392 1106846489 /nfs/dbraw/zinc/84/64/89/1106846489.db2.gz LOHOUJMZMIWLPX-HNNXBMFYSA-N 1 3 333.476 2.082 10 10 EECEHO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000775717898 577443639 /nfs/dbraw/zinc/44/36/39/577443639.db2.gz UGWHBBMBZTUQDE-XLIONFOSSA-N 1 3 330.520 2.353 10 10 EECEHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000775717898 577443640 /nfs/dbraw/zinc/44/36/40/577443640.db2.gz UGWHBBMBZTUQDE-XLIONFOSSA-N 1 3 330.520 2.353 10 10 EECEHO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768669175 577560579 /nfs/dbraw/zinc/56/05/79/577560579.db2.gz DYEWMWOCIRTBPX-UWJYYQICSA-N 1 3 342.531 2.258 10 10 EECEHO CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C)cc1[O-] ZINC000925848436 1206160172 /nfs/dbraw/zinc/16/01/72/1206160172.db2.gz APFIEKQOLBAEIP-ZBFHGGJFSA-N 1 3 332.444 2.427 10 10 EECEHO CN(C)c1ccc(/C=C\CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125477 1315849113 /nfs/dbraw/zinc/84/91/13/1315849113.db2.gz XJNSBLXIDAUGMT-DDKKJVIOSA-N 1 3 329.488 2.453 10 10 EECEHO COc1ccc(C[NH2+][C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1C ZINC001274296152 1204988083 /nfs/dbraw/zinc/98/80/83/1204988083.db2.gz AVHHBUMCPLHBCF-AEFFLSMTSA-N 1 3 347.503 2.280 10 10 EECEHO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001320508554 1332900047 /nfs/dbraw/zinc/90/00/47/1332900047.db2.gz BAUVQDKZXMRZNT-FUHWJXTLSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001320508554 1332900048 /nfs/dbraw/zinc/90/00/48/1332900048.db2.gz BAUVQDKZXMRZNT-FUHWJXTLSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@H]1C[C@H](N(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@@H+]1C ZINC001320508554 1332900049 /nfs/dbraw/zinc/90/00/49/1332900049.db2.gz BAUVQDKZXMRZNT-FUHWJXTLSA-N 1 3 348.510 2.492 10 10 EECEHO C[C@H]1C[C@H](N(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@H+]1C ZINC001320508554 1332900052 /nfs/dbraw/zinc/90/00/52/1332900052.db2.gz BAUVQDKZXMRZNT-FUHWJXTLSA-N 1 3 348.510 2.492 10 10 EECEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000375792964 466875856 /nfs/dbraw/zinc/87/58/56/466875856.db2.gz RMFXJZCHCFHWGR-SLFFLAALSA-N 1 3 329.488 2.486 10 10 EECEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000375792964 466875861 /nfs/dbraw/zinc/87/58/61/466875861.db2.gz RMFXJZCHCFHWGR-SLFFLAALSA-N 1 3 329.488 2.486 10 10 EECEHO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1C ZINC001268056213 1181618387 /nfs/dbraw/zinc/61/83/87/1181618387.db2.gz RDIZNCGKDLKDMY-RDJZCZTQSA-N 1 3 333.476 2.034 10 10 EECEHO CCN1CCN(c2ccc(CN[C@@H]3C[C@H]([NH3+])C34CCC4)cc2F)CC1 ZINC000925561109 1206128361 /nfs/dbraw/zinc/12/83/61/1206128361.db2.gz YQOKRZOIMQYQFC-RBUKOAKNSA-N 1 3 346.494 2.327 10 10 EECEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001571490951 1343219210 /nfs/dbraw/zinc/21/92/10/1343219210.db2.gz LDUZYNAOYLVMLZ-FUHWJXTLSA-N 1 3 347.503 2.424 10 10 EECEHO