smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000294795517 455828404 /nfs/dbraw/zinc/82/84/04/455828404.db2.gz VOKDXSNKTAVBTG-SDBXPKJASA-N 1 2 341.732 3.320 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000294795517 455828407 /nfs/dbraw/zinc/82/84/07/455828407.db2.gz VOKDXSNKTAVBTG-SDBXPKJASA-N 1 2 341.732 3.320 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000295406956 455847964 /nfs/dbraw/zinc/84/79/64/455847964.db2.gz RGMAVKFJCVJIJC-ZYHUDNBSSA-N 1 2 327.705 3.072 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000295406956 455847970 /nfs/dbraw/zinc/84/79/70/455847970.db2.gz RGMAVKFJCVJIJC-ZYHUDNBSSA-N 1 2 327.705 3.072 10 10 EGCELO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3=CC(=O)CS3)c2)C[C@H](C)O1 ZINC000738544245 576335972 /nfs/dbraw/zinc/33/59/72/576335972.db2.gz XUULIOAYMFCYNF-BETUJISGSA-N 1 2 346.452 3.315 10 10 EGCELO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3=CC(=O)CS3)c2)C[C@H](C)O1 ZINC000738544245 576335974 /nfs/dbraw/zinc/33/59/74/576335974.db2.gz XUULIOAYMFCYNF-BETUJISGSA-N 1 2 346.452 3.315 10 10 EGCELO Cc1cn2cc(NC(=O)NCc3ccc(N(C)C)c(F)c3)ccc2[nH+]1 ZINC000738919699 576369300 /nfs/dbraw/zinc/36/93/00/576369300.db2.gz JPIHKGBGIIDBOZ-UHFFFAOYSA-N 1 2 341.390 3.170 10 10 EGCELO [NH3+]C[C@H]1CCCCN1Cc1cc(Cl)cc(Br)c1O ZINC000708091769 1298234509 /nfs/dbraw/zinc/23/45/09/1298234509.db2.gz XSQVAPQNVRTMII-LLVKDONJSA-N 1 2 333.657 3.121 10 10 EGCELO C[C@@H]1[C@H]([NH3+])CCCN1Cc1cc(Cl)cc(Br)c1O ZINC000708125643 1298235398 /nfs/dbraw/zinc/23/53/98/1298235398.db2.gz WRBZRWNNMNWIOV-PRHODGIISA-N 1 2 333.657 3.120 10 10 EGCELO COc1ccc(N2CC[NH+](Cc3nc(C)c4ccccc4n3)CC2)cc1 ZINC000884442483 1302860789 /nfs/dbraw/zinc/86/07/89/1302860789.db2.gz GKRAAWGKMDAYFB-UHFFFAOYSA-N 1 2 348.450 3.269 10 10 EGCELO C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc(F)cc(F)c1O ZINC000866574434 1330128777 /nfs/dbraw/zinc/12/87/77/1330128777.db2.gz VVIKPXAELZPWAV-LLVKDONJSA-N 1 2 331.366 3.450 10 10 EGCELO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000866634781 1330136390 /nfs/dbraw/zinc/13/63/90/1330136390.db2.gz JACCAXAKFQGFSR-KXUCPTDWSA-N 1 2 334.229 3.494 10 10 EGCELO CC(=O)N(C)c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001308468559 1384127404 /nfs/dbraw/zinc/12/74/04/1384127404.db2.gz QUTXWURCEGIZKN-UHFFFAOYSA-N 1 2 336.794 3.457 10 10 EGCELO COc1ccc2[nH]c3c(c2c1)CC[N@H+](Cc1cccc(OC)c1O)C3 ZINC001331579737 1389812249 /nfs/dbraw/zinc/81/22/49/1389812249.db2.gz KAENPJIWCQGLTH-UHFFFAOYSA-N 1 2 338.407 3.449 10 10 EGCELO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](Cc1cccc(OC)c1O)C3 ZINC001331579737 1389812255 /nfs/dbraw/zinc/81/22/55/1389812255.db2.gz KAENPJIWCQGLTH-UHFFFAOYSA-N 1 2 338.407 3.449 10 10 EGCELO C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1O ZINC000530215555 458719874 /nfs/dbraw/zinc/71/98/74/458719874.db2.gz HLXOSLXESGQWIF-YMTOWFKASA-N 1 2 343.240 3.229 10 10 EGCELO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1O ZINC000530215555 458719882 /nfs/dbraw/zinc/71/98/82/458719882.db2.gz HLXOSLXESGQWIF-YMTOWFKASA-N 1 2 343.240 3.229 10 10 EGCELO C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1[O-] ZINC000530215555 458719885 /nfs/dbraw/zinc/71/98/85/458719885.db2.gz HLXOSLXESGQWIF-YMTOWFKASA-N 1 2 343.240 3.229 10 10 EGCELO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2noc(C(C)C)n2)cc1OC ZINC000160073349 455426574 /nfs/dbraw/zinc/42/65/74/455426574.db2.gz LLVYVPGNHXBIQC-CYBMUJFWSA-N 1 2 347.415 3.253 10 10 EGCELO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2noc(C(C)C)n2)cc1OC ZINC000160073349 455426578 /nfs/dbraw/zinc/42/65/78/455426578.db2.gz LLVYVPGNHXBIQC-CYBMUJFWSA-N 1 2 347.415 3.253 10 10 EGCELO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2O)CN1 ZINC000092105321 454524978 /nfs/dbraw/zinc/52/49/78/454524978.db2.gz SQQRMJHFTZDEAO-YGRLFVJLSA-N 1 2 343.254 3.190 10 10 EGCELO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2O)CN1 ZINC000092105321 454524981 /nfs/dbraw/zinc/52/49/81/454524981.db2.gz SQQRMJHFTZDEAO-YGRLFVJLSA-N 1 2 343.254 3.190 10 10 EGCELO CCOc1cccc(C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1O ZINC000123309839 454623288 /nfs/dbraw/zinc/62/32/88/454623288.db2.gz JFIKYGZCTJUWGC-UHFFFAOYSA-N 1 2 329.444 3.206 10 10 EGCELO CCOc1cccc(C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1O ZINC000123309839 454623293 /nfs/dbraw/zinc/62/32/93/454623293.db2.gz JFIKYGZCTJUWGC-UHFFFAOYSA-N 1 2 329.444 3.206 10 10 EGCELO CCOc1cccc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1O ZINC000123309839 454623298 /nfs/dbraw/zinc/62/32/98/454623298.db2.gz JFIKYGZCTJUWGC-UHFFFAOYSA-N 1 2 329.444 3.206 10 10 EGCELO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(Cl)c(Cl)c1O ZINC000184936074 455475805 /nfs/dbraw/zinc/47/58/05/455475805.db2.gz CJKUIGGBEGBSOP-WDEREUQCSA-N 1 2 333.259 3.070 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000177118079 454825304 /nfs/dbraw/zinc/82/53/04/454825304.db2.gz KGXLZTHCOIGUKY-MRXNPFEDSA-N 1 2 333.819 3.319 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000177118079 454825308 /nfs/dbraw/zinc/82/53/08/454825308.db2.gz KGXLZTHCOIGUKY-MRXNPFEDSA-N 1 2 333.819 3.319 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000127152770 454942414 /nfs/dbraw/zinc/94/24/14/454942414.db2.gz HHGSXZMQQSMPID-GOSISDBHSA-N 1 2 345.370 3.013 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000127152770 454942415 /nfs/dbraw/zinc/94/24/15/454942415.db2.gz HHGSXZMQQSMPID-GOSISDBHSA-N 1 2 345.370 3.013 10 10 EGCELO CCC[NH+](CCC)c1ccc(CN2CCn3cnnc3[C@H]2C)cc1 ZINC000276776659 456576981 /nfs/dbraw/zinc/57/69/81/456576981.db2.gz IVVWQUQIDCLODH-MRXNPFEDSA-N 1 2 327.476 3.481 10 10 EGCELO CC[N@@H+]1CCCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708214613 1298237241 /nfs/dbraw/zinc/23/72/41/1298237241.db2.gz DDVGDCJPGFMRJB-UHFFFAOYSA-N 1 2 347.684 3.336 10 10 EGCELO CC[N@H+]1CCCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708214613 1298237253 /nfs/dbraw/zinc/23/72/53/1298237253.db2.gz DDVGDCJPGFMRJB-UHFFFAOYSA-N 1 2 347.684 3.336 10 10 EGCELO CN(CC[NH+]1CCCC1)Cc1cc(Cl)cc(Br)c1O ZINC000708141309 1298237760 /nfs/dbraw/zinc/23/77/60/1298237760.db2.gz RYOQGNUZRQUZNO-UHFFFAOYSA-N 1 2 347.684 3.336 10 10 EGCELO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1cccc(Cl)c1O)O2 ZINC000895819511 1309533994 /nfs/dbraw/zinc/53/39/94/1309533994.db2.gz AETDRRGXLXBQLA-DMVWFOPNSA-N 1 2 325.836 3.108 10 10 EGCELO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000896131944 1309714067 /nfs/dbraw/zinc/71/40/67/1309714067.db2.gz DAROJLQLNIDVJG-SNVBAGLBSA-N 1 2 343.408 3.055 10 10 EGCELO OCCOC1(C[NH2+]Cc2cccc(Cl)c2O)CCC(F)(F)CC1 ZINC000862475580 1329489325 /nfs/dbraw/zinc/48/93/25/1329489325.db2.gz PBBCRAIPNVUZMM-UHFFFAOYSA-N 1 2 349.805 3.092 10 10 EGCELO COC(=O)c1conc1C(C)(C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001327892769 1388617140 /nfs/dbraw/zinc/61/71/40/1388617140.db2.gz SACOLJYLRQBLIM-UHFFFAOYSA-N 1 2 338.791 3.154 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(=O)Nc2ccccc2)c1O ZINC000072312053 454292446 /nfs/dbraw/zinc/29/24/46/454292446.db2.gz YRGGXXLXHJFZRL-UHFFFAOYSA-N 1 2 346.814 3.319 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC(=O)Nc2ccccc2)c1O ZINC000072312053 454292450 /nfs/dbraw/zinc/29/24/50/454292450.db2.gz YRGGXXLXHJFZRL-UHFFFAOYSA-N 1 2 346.814 3.319 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128532502 455065176 /nfs/dbraw/zinc/06/51/76/455065176.db2.gz JQBRNSUBPCSGPC-NSHDSACASA-N 1 2 341.242 3.203 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128532502 455065180 /nfs/dbraw/zinc/06/51/80/455065180.db2.gz JQBRNSUBPCSGPC-NSHDSACASA-N 1 2 341.242 3.203 10 10 EGCELO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(Cl)c(Cl)c1O ZINC000184889206 455467203 /nfs/dbraw/zinc/46/72/03/455467203.db2.gz ZWSHDLHBAPICSH-JTQLQIEISA-N 1 2 331.243 3.362 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000293676665 455795199 /nfs/dbraw/zinc/79/51/99/455795199.db2.gz RCPNQCHIARIPOW-UHFFFAOYSA-N 1 2 327.705 3.074 10 10 EGCELO CC[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cccc(Cl)c1O ZINC000286967542 456058033 /nfs/dbraw/zinc/05/80/33/456058033.db2.gz IFFUJIULKWOPIN-UGFHNGPFSA-N 1 2 329.868 3.244 10 10 EGCELO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)no1 ZINC000290092015 456237990 /nfs/dbraw/zinc/23/79/90/456237990.db2.gz HLYUHCSNFAILJR-ZJUUUORDSA-N 1 2 325.796 3.377 10 10 EGCELO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2noc(CC)n2)c1 ZINC000371403872 457913763 /nfs/dbraw/zinc/91/37/63/457913763.db2.gz DDESDGIHEKNIIE-HNNXBMFYSA-N 1 2 331.416 3.464 10 10 EGCELO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2noc(CC)n2)c1 ZINC000371403872 457913773 /nfs/dbraw/zinc/91/37/73/457913773.db2.gz DDESDGIHEKNIIE-HNNXBMFYSA-N 1 2 331.416 3.464 10 10 EGCELO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nnc2n1CCCCC2 ZINC000372776885 458332676 /nfs/dbraw/zinc/33/26/76/458332676.db2.gz QMGFXVZFIVWRBN-SNVBAGLBSA-N 1 2 338.814 3.353 10 10 EGCELO CCN1C(=O)/C(=C\c2[nH+]ccn2Cc2ccccc2)SC1=S ZINC000734096488 575439513 /nfs/dbraw/zinc/43/95/13/575439513.db2.gz NIIRZYURTRJOOJ-JLHYYAGUSA-N 1 2 329.450 3.153 10 10 EGCELO CC(C)c1c[nH]c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000893879526 1306110688 /nfs/dbraw/zinc/11/06/88/1306110688.db2.gz IFTHDVGXOKDQEO-INIZCTEOSA-N 1 2 329.444 3.420 10 10 EGCELO CC(C)c1c[nH]c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000893879526 1306110694 /nfs/dbraw/zinc/11/06/94/1306110694.db2.gz IFTHDVGXOKDQEO-INIZCTEOSA-N 1 2 329.444 3.420 10 10 EGCELO Cc1cc(CC(=O)N[C@H]2CCn3c[nH+]cc32)c(C)n1-c1ccccc1 ZINC000857976142 1328645607 /nfs/dbraw/zinc/64/56/07/1328645607.db2.gz YHAJLLCCKZQIJZ-SFHVURJKSA-N 1 2 334.423 3.094 10 10 EGCELO C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccnn1C ZINC000866615546 1330133463 /nfs/dbraw/zinc/13/34/63/1330133463.db2.gz VITAWABOHVRQEY-IUCAKERBSA-N 1 2 342.212 3.439 10 10 EGCELO CCN(C)c1ccc(C[N@H+](C)Cc2cnn(-c3ccccc3)n2)cc1 ZINC001191164671 1367436490 /nfs/dbraw/zinc/43/64/90/1367436490.db2.gz IYRULHIGBNHMAY-UHFFFAOYSA-N 1 2 335.455 3.355 10 10 EGCELO CCN(C)c1ccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)n2)cc1 ZINC001191164671 1367436493 /nfs/dbraw/zinc/43/64/93/1367436493.db2.gz IYRULHIGBNHMAY-UHFFFAOYSA-N 1 2 335.455 3.355 10 10 EGCELO C[NH+]1CCN(c2ccc(CN3CC(C)(CC(F)F)C3)cc2F)CC1 ZINC001326339570 1388159926 /nfs/dbraw/zinc/15/99/26/1388159926.db2.gz YRJKUMLKJYKFOY-UHFFFAOYSA-N 1 2 341.421 3.055 10 10 EGCELO OC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1C(F)(F)F ZINC000294591300 455819937 /nfs/dbraw/zinc/81/99/37/455819937.db2.gz HKQOEBFCQZCNNM-ZJUUUORDSA-N 1 2 341.732 3.177 10 10 EGCELO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1C(F)(F)F ZINC000294591300 455819941 /nfs/dbraw/zinc/81/99/41/455819941.db2.gz HKQOEBFCQZCNNM-ZJUUUORDSA-N 1 2 341.732 3.177 10 10 EGCELO CCCCN(Cc1ccccc1O)C(=O)NCc1[nH+]ccn1CC ZINC000298038924 456350563 /nfs/dbraw/zinc/35/05/63/456350563.db2.gz HOCLDBKQIFOMLV-UHFFFAOYSA-N 1 2 330.432 3.121 10 10 EGCELO Cc1cc(Cl)cc(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000372921878 458349307 /nfs/dbraw/zinc/34/93/07/458349307.db2.gz LAXCUNJJGPFTNS-HNNXBMFYSA-N 1 2 328.803 3.351 10 10 EGCELO COc1ccc([NH+]2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000735487628 575668546 /nfs/dbraw/zinc/66/85/46/575668546.db2.gz QTUUHBYUIPUNRP-UHFFFAOYSA-N 1 2 328.372 3.079 10 10 EGCELO Cc1cc(NCc2c(O)ccc3c2CCCC3)nc(-c2ccncc2)[nH+]1 ZINC000742420129 576782231 /nfs/dbraw/zinc/78/22/31/576782231.db2.gz ZHJUARKNBCOTPR-UHFFFAOYSA-N 1 2 346.434 3.465 10 10 EGCELO C[N@H+]1CCN(Cc2cc(Cl)cc(Br)c2O)CC1(C)C ZINC000708141776 1298238433 /nfs/dbraw/zinc/23/84/33/1298238433.db2.gz WRJIHWRMOXZQLI-UHFFFAOYSA-N 1 2 347.684 3.334 10 10 EGCELO C[N@@H+]1CCN(Cc2cc(Cl)cc(Br)c2O)CC1(C)C ZINC000708141776 1298238424 /nfs/dbraw/zinc/23/84/24/1298238424.db2.gz WRJIHWRMOXZQLI-UHFFFAOYSA-N 1 2 347.684 3.334 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000715738569 1298285287 /nfs/dbraw/zinc/28/52/87/1298285287.db2.gz VPMHCDVPELDHIQ-AWEZNQCLSA-N 1 2 330.197 3.049 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000715738569 1298285289 /nfs/dbraw/zinc/28/52/89/1298285289.db2.gz VPMHCDVPELDHIQ-AWEZNQCLSA-N 1 2 330.197 3.049 10 10 EGCELO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)O2 ZINC000895819583 1309534195 /nfs/dbraw/zinc/53/41/95/1309534195.db2.gz BLMTXOLZIODJTF-KOZDUTSQSA-N 1 2 343.826 3.247 10 10 EGCELO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)O2 ZINC000895819584 1309535155 /nfs/dbraw/zinc/53/51/55/1309535155.db2.gz BLMTXOLZIODJTF-NDIKUOACSA-N 1 2 343.826 3.247 10 10 EGCELO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(F)cc(F)c1O ZINC000927015523 1327821392 /nfs/dbraw/zinc/82/13/92/1327821392.db2.gz RBIGHCQBXSJSBJ-AAEUAGOBSA-N 1 2 327.371 3.049 10 10 EGCELO COC[C@]1(C)C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000862552461 1329496112 /nfs/dbraw/zinc/49/61/12/1329496112.db2.gz ZJOFJQAVJJPHQG-INIZCTEOSA-N 1 2 346.393 3.009 10 10 EGCELO COC[C@]1(C)C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000862552461 1329496113 /nfs/dbraw/zinc/49/61/13/1329496113.db2.gz ZJOFJQAVJJPHQG-INIZCTEOSA-N 1 2 346.393 3.009 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccnn2C)c1O ZINC000932267897 1329801900 /nfs/dbraw/zinc/80/19/00/1329801900.db2.gz HGFUIVJFUMNCLP-INIZCTEOSA-N 1 2 333.819 3.319 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccnn2C)c1O ZINC000932267897 1329801901 /nfs/dbraw/zinc/80/19/01/1329801901.db2.gz HGFUIVJFUMNCLP-INIZCTEOSA-N 1 2 333.819 3.319 10 10 EGCELO FC(F)(F)C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001118631453 1371208315 /nfs/dbraw/zinc/20/83/15/1371208315.db2.gz USGBMMDAMFQKJZ-MRXNPFEDSA-N 1 2 328.378 3.440 10 10 EGCELO FC(F)(F)C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001118631453 1371208316 /nfs/dbraw/zinc/20/83/16/1371208316.db2.gz USGBMMDAMFQKJZ-MRXNPFEDSA-N 1 2 328.378 3.440 10 10 EGCELO Cc1cc(Cl)cc(CN2CC[NH+](Cc3ccccn3)CC2)c1O ZINC000179628415 455062864 /nfs/dbraw/zinc/06/28/64/455062864.db2.gz CTGGBGDDCWUXIY-UHFFFAOYSA-N 1 2 331.847 3.067 10 10 EGCELO Cc1nnc([C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc2)[nH]1 ZINC000190941995 455411102 /nfs/dbraw/zinc/41/11/02/455411102.db2.gz RTEQPAJWCUARQI-MRXNPFEDSA-N 1 2 346.793 3.490 10 10 EGCELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)c2ccccc2)[nH]1 ZINC000185324999 455540230 /nfs/dbraw/zinc/54/02/30/455540230.db2.gz LTXAFVPUWKGVRI-GTNSWQLSSA-N 1 2 326.375 3.398 10 10 EGCELO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)C12CCOCC2 ZINC000186455171 455772534 /nfs/dbraw/zinc/77/25/34/455772534.db2.gz NNBNDNHPXLDUNT-GJZGRUSLSA-N 1 2 325.836 3.109 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000281232449 456173168 /nfs/dbraw/zinc/17/31/68/456173168.db2.gz CJWJPFOEXNFWJM-QGZVFWFLSA-N 1 2 331.391 3.195 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000281232449 456173176 /nfs/dbraw/zinc/17/31/76/456173176.db2.gz CJWJPFOEXNFWJM-QGZVFWFLSA-N 1 2 331.391 3.195 10 10 EGCELO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(C)n1-c1cccc(C)c1 ZINC000361278412 457677048 /nfs/dbraw/zinc/67/70/48/457677048.db2.gz MBNUBNGFRRCXSZ-MRXNPFEDSA-N 1 2 348.450 3.413 10 10 EGCELO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(C)n1-c1cccc(C)c1 ZINC000361278412 457677051 /nfs/dbraw/zinc/67/70/51/457677051.db2.gz MBNUBNGFRRCXSZ-MRXNPFEDSA-N 1 2 348.450 3.413 10 10 EGCELO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365942622 457786181 /nfs/dbraw/zinc/78/61/81/457786181.db2.gz WDTOAGVWYMIJNA-UHFFFAOYSA-N 1 2 337.782 3.018 10 10 EGCELO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000367748903 457977308 /nfs/dbraw/zinc/97/73/08/457977308.db2.gz KNKUAMAKLNILNW-OAHLLOKOSA-N 1 2 335.835 3.267 10 10 EGCELO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000367748903 457977315 /nfs/dbraw/zinc/97/73/15/457977315.db2.gz KNKUAMAKLNILNW-OAHLLOKOSA-N 1 2 335.835 3.267 10 10 EGCELO CCCO[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715818178 1298287891 /nfs/dbraw/zinc/28/78/91/1298287891.db2.gz MTHOGWFMFCWMIF-LBPRGKRZSA-N 1 2 332.213 3.295 10 10 EGCELO CCCO[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715818178 1298287902 /nfs/dbraw/zinc/28/79/02/1298287902.db2.gz MTHOGWFMFCWMIF-LBPRGKRZSA-N 1 2 332.213 3.295 10 10 EGCELO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000857890484 1328616344 /nfs/dbraw/zinc/61/63/44/1328616344.db2.gz WMRKHPZHTXUVTH-KRWDZBQOSA-N 1 2 348.450 3.262 10 10 EGCELO Oc1cccc(Br)c1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858286185 1328729712 /nfs/dbraw/zinc/72/97/12/1328729712.db2.gz UIDXHHVTIPYLCL-ZDUSSCGKSA-N 1 2 339.277 3.261 10 10 EGCELO Oc1cccc(Br)c1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858286185 1328729717 /nfs/dbraw/zinc/72/97/17/1328729717.db2.gz UIDXHHVTIPYLCL-ZDUSSCGKSA-N 1 2 339.277 3.261 10 10 EGCELO C[N@H+](Cc1cnn(-c2ccccc2)n1)Cc1cc2c(cc1O)CCC2 ZINC000917453807 1319812148 /nfs/dbraw/zinc/81/21/48/1319812148.db2.gz QEMFGQBUSXFCMK-UHFFFAOYSA-N 1 2 334.423 3.094 10 10 EGCELO C[N@@H+](Cc1cnn(-c2ccccc2)n1)Cc1cc2c(cc1O)CCC2 ZINC000917453807 1319812155 /nfs/dbraw/zinc/81/21/55/1319812155.db2.gz QEMFGQBUSXFCMK-UHFFFAOYSA-N 1 2 334.423 3.094 10 10 EGCELO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000863949292 1329591035 /nfs/dbraw/zinc/59/10/35/1329591035.db2.gz CTTVMLQWPDDFAX-LHFJYWTJSA-N 1 2 349.478 3.247 10 10 EGCELO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000863949292 1329591037 /nfs/dbraw/zinc/59/10/37/1329591037.db2.gz CTTVMLQWPDDFAX-LHFJYWTJSA-N 1 2 349.478 3.247 10 10 EGCELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(F)cc2O)c2ccccc2)[nH]1 ZINC000185324403 455540277 /nfs/dbraw/zinc/54/02/77/455540277.db2.gz RXXJLWQCXVNJNG-DIFFPNOSSA-N 1 2 326.375 3.398 10 10 EGCELO CO[C@H](C)c1noc(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)n1 ZINC000271761994 455750895 /nfs/dbraw/zinc/75/08/95/455750895.db2.gz DUOMLIWSJJVBNV-SNVBAGLBSA-N 1 2 325.796 3.076 10 10 EGCELO CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)n1 ZINC000271761994 455750899 /nfs/dbraw/zinc/75/08/99/455750899.db2.gz DUOMLIWSJJVBNV-SNVBAGLBSA-N 1 2 325.796 3.076 10 10 EGCELO COc1cc(Cl)cc(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000372921874 458349334 /nfs/dbraw/zinc/34/93/34/458349334.db2.gz KZLZHMYTVNBUTL-HNNXBMFYSA-N 1 2 344.802 3.052 10 10 EGCELO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000376635787 458358444 /nfs/dbraw/zinc/35/84/44/458358444.db2.gz ZDBFWACDCJLXSA-XJKSGUPXSA-N 1 2 346.254 3.469 10 10 EGCELO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000376635787 458358448 /nfs/dbraw/zinc/35/84/48/458358448.db2.gz ZDBFWACDCJLXSA-XJKSGUPXSA-N 1 2 346.254 3.469 10 10 EGCELO COc1ccc(N2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000047540764 1291578339 /nfs/dbraw/zinc/57/83/39/1291578339.db2.gz HCUHAJOAKVMBKB-UHFFFAOYSA-N 1 2 345.374 3.065 10 10 EGCELO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000866634783 1330136284 /nfs/dbraw/zinc/13/62/84/1330136284.db2.gz JACCAXAKFQGFSR-OPRDCNLKSA-N 1 2 334.229 3.494 10 10 EGCELO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000089782874 454198362 /nfs/dbraw/zinc/19/83/62/454198362.db2.gz QDYJQBCDOKCQII-MSOLQXFVSA-N 1 2 346.358 3.449 10 10 EGCELO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000184694971 455429159 /nfs/dbraw/zinc/42/91/59/455429159.db2.gz AYRSXKGJDLTVNX-KRWDZBQOSA-N 1 2 349.814 3.333 10 10 EGCELO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000184694971 455429162 /nfs/dbraw/zinc/42/91/62/455429162.db2.gz AYRSXKGJDLTVNX-KRWDZBQOSA-N 1 2 349.814 3.333 10 10 EGCELO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(Cl)c(Cl)c1O ZINC000185333005 455541779 /nfs/dbraw/zinc/54/17/79/455541779.db2.gz ZPTICAFYCBHWTN-SECBINFHSA-N 1 2 333.215 3.192 10 10 EGCELO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cc([N+](=O)[O-])ccc1O ZINC000273354349 456225367 /nfs/dbraw/zinc/22/53/67/456225367.db2.gz CGNWBIXVBMPKRJ-LBPRGKRZSA-N 1 2 328.372 3.469 10 10 EGCELO CCOCc1nc([C@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)no1 ZINC000290996099 456491334 /nfs/dbraw/zinc/49/13/34/456491334.db2.gz ALUVSJMBXHJCPY-HNNXBMFYSA-N 1 2 344.459 3.447 10 10 EGCELO CCC[NH+](CCC)c1ccc(CN2CCOC[C@H]2c2ncon2)cc1 ZINC000369830992 457420808 /nfs/dbraw/zinc/42/08/08/457420808.db2.gz IOXRNZPAGVNALM-SFHVURJKSA-N 1 2 344.459 3.270 10 10 EGCELO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366813512 457901809 /nfs/dbraw/zinc/90/18/09/457901809.db2.gz WNEZAPXYQQVQQA-XNJGSVPQSA-N 1 2 325.836 3.204 10 10 EGCELO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366813512 457901812 /nfs/dbraw/zinc/90/18/12/457901812.db2.gz WNEZAPXYQQVQQA-XNJGSVPQSA-N 1 2 325.836 3.204 10 10 EGCELO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000376635786 458357943 /nfs/dbraw/zinc/35/79/43/458357943.db2.gz ZDBFWACDCJLXSA-CZUORRHYSA-N 1 2 346.254 3.469 10 10 EGCELO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000376635786 458357946 /nfs/dbraw/zinc/35/79/46/458357946.db2.gz ZDBFWACDCJLXSA-CZUORRHYSA-N 1 2 346.254 3.469 10 10 EGCELO CN1CCCc2cc(CNC(=O)Nc3ccc4[nH+]ccn4c3)ccc21 ZINC000738949975 576370247 /nfs/dbraw/zinc/37/02/47/576370247.db2.gz PAELNZWMHDPSEZ-UHFFFAOYSA-N 1 2 335.411 3.038 10 10 EGCELO c1cc(N2CCOCC2)ccc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000121777121 1293388820 /nfs/dbraw/zinc/38/88/20/1293388820.db2.gz UXJXVQNRSRSICG-UHFFFAOYSA-N 1 2 338.455 3.131 10 10 EGCELO CC(=O)c1cc(F)cc(CN2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000310332272 1297092936 /nfs/dbraw/zinc/09/29/36/1297092936.db2.gz FGNHHHZGYMRIIO-UHFFFAOYSA-N 1 2 342.414 3.052 10 10 EGCELO COc1c(O)c(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)ccc1[N+](=O)[O-] ZINC000895690695 1309466798 /nfs/dbraw/zinc/46/67/98/1309466798.db2.gz KKBRKQVPLVLFJC-ZBFHGGJFSA-N 1 2 346.358 3.424 10 10 EGCELO CN(C)c1cc(F)c(C[NH2+]Cc2nccn2CC(F)(F)F)cc1F ZINC000858121567 1328688912 /nfs/dbraw/zinc/68/89/12/1328688912.db2.gz DNHQIOQFILNGOV-UHFFFAOYSA-N 1 2 348.319 3.079 10 10 EGCELO C[C@@H](O)[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccc1F ZINC000858185802 1328706612 /nfs/dbraw/zinc/70/66/12/1328706612.db2.gz YLEQVVDUGUNXJB-ZMZPIMSZSA-N 1 2 338.373 3.382 10 10 EGCELO C[C@H](O)[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccc1F ZINC000858185800 1328706661 /nfs/dbraw/zinc/70/66/61/1328706661.db2.gz YLEQVVDUGUNXJB-BBATYDOGSA-N 1 2 338.373 3.382 10 10 EGCELO COc1ccc(N2CC[NH+]([C@H](C)c3ccc(F)nc3)CC2)c(OC)c1 ZINC000931530519 1329137005 /nfs/dbraw/zinc/13/70/05/1329137005.db2.gz IFDAJXFIGAZGSQ-CQSZACIVSA-N 1 2 345.418 3.121 10 10 EGCELO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)c1ccccc1O ZINC001302537919 1383756995 /nfs/dbraw/zinc/75/69/95/1383756995.db2.gz AGPFYXBMWWLEJU-JTQLQIEISA-N 1 2 345.349 3.206 10 10 EGCELO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC001348173889 1391182381 /nfs/dbraw/zinc/18/23/81/1391182381.db2.gz YSXCYDGAYRTELZ-GFCCVEGCSA-N 1 2 333.457 3.425 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000071792530 203112630 /nfs/dbraw/zinc/11/26/30/203112630.db2.gz GSCITYOHUUYSBE-UHFFFAOYSA-N 1 2 332.227 3.474 10 10 EGCELO COCCN(Cc1[nH+]ccn1C(C)C)c1ccc(OC)c(OC)c1 ZINC000177131508 454826765 /nfs/dbraw/zinc/82/67/65/454826765.db2.gz HBAAVKQGMXNVPM-UHFFFAOYSA-N 1 2 333.432 3.134 10 10 EGCELO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1O ZINC000156504670 455126335 /nfs/dbraw/zinc/12/63/35/455126335.db2.gz BTHSFEFFSHAGSD-SKDRFNHKSA-N 1 2 341.242 3.346 10 10 EGCELO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(C)n1-c1cccc(C)c1 ZINC000361278411 457677063 /nfs/dbraw/zinc/67/70/63/457677063.db2.gz MBNUBNGFRRCXSZ-INIZCTEOSA-N 1 2 348.450 3.413 10 10 EGCELO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(C)n1-c1cccc(C)c1 ZINC000361278411 457677066 /nfs/dbraw/zinc/67/70/66/457677066.db2.gz MBNUBNGFRRCXSZ-INIZCTEOSA-N 1 2 348.450 3.413 10 10 EGCELO CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1O)C(=O)N1CCCC1 ZINC000527807935 459743428 /nfs/dbraw/zinc/74/34/28/459743428.db2.gz DGXSEMGMWNGVKP-UHFFFAOYSA-N 1 2 345.270 3.437 10 10 EGCELO C[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCCOC1 ZINC000708216427 1298237514 /nfs/dbraw/zinc/23/75/14/1298237514.db2.gz SHMJIZWYQSTHEZ-LLVKDONJSA-N 1 2 334.641 3.419 10 10 EGCELO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCCOC1 ZINC000708216427 1298237526 /nfs/dbraw/zinc/23/75/26/1298237526.db2.gz SHMJIZWYQSTHEZ-LLVKDONJSA-N 1 2 334.641 3.419 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000880056812 1300905323 /nfs/dbraw/zinc/90/53/23/1300905323.db2.gz KVRJXUKUMFLEAL-XPTSAGLGSA-N 1 2 349.324 3.276 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000880056812 1300905334 /nfs/dbraw/zinc/90/53/34/1300905334.db2.gz KVRJXUKUMFLEAL-XPTSAGLGSA-N 1 2 349.324 3.276 10 10 EGCELO COc1cc(C)cc(C[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)c1O ZINC000895453823 1309345002 /nfs/dbraw/zinc/34/50/02/1309345002.db2.gz PQCNFXIXTXEGOL-CYBMUJFWSA-N 1 2 326.396 3.052 10 10 EGCELO COc1cc(C)cc(C[N@H+]2Cc3ccccc3NC(=O)[C@H]2C)c1O ZINC000895453823 1309345007 /nfs/dbraw/zinc/34/50/07/1309345007.db2.gz PQCNFXIXTXEGOL-CYBMUJFWSA-N 1 2 326.396 3.052 10 10 EGCELO Oc1c(F)cc(Br)cc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923027802 1322677610 /nfs/dbraw/zinc/67/76/10/1322677610.db2.gz JDAJLWRWYWYVQZ-ZDUSSCGKSA-N 1 2 344.224 3.485 10 10 EGCELO COc1ccc([NH+]2CCC(N(C)C(=O)CCOCC(C)C)CC2)cc1 ZINC000069462962 258063399 /nfs/dbraw/zinc/06/33/99/258063399.db2.gz HQBIUPGOOPCNFZ-UHFFFAOYSA-N 1 2 348.487 3.185 10 10 EGCELO C[N@H+](Cc1ncc(C2CC2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000270598357 455993626 /nfs/dbraw/zinc/99/36/26/455993626.db2.gz LJYLBRJRYDOXIU-UHFFFAOYSA-N 1 2 327.428 3.021 10 10 EGCELO C[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000270598357 455993632 /nfs/dbraw/zinc/99/36/32/455993632.db2.gz LJYLBRJRYDOXIU-UHFFFAOYSA-N 1 2 327.428 3.021 10 10 EGCELO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1O ZINC000287582992 456072628 /nfs/dbraw/zinc/07/26/28/456072628.db2.gz HMZDMFWAWCKEAP-GXFFZTMASA-N 1 2 331.243 3.361 10 10 EGCELO C[C@H]1CC[C@H]([NH3+])CN1Cc1cc(Cl)cc(Br)c1O ZINC000708133127 1298234644 /nfs/dbraw/zinc/23/46/44/1298234644.db2.gz HQEBFYIJNUTQDS-KWQFWETISA-N 1 2 333.657 3.120 10 10 EGCELO COC(=O)c1c(C[NH+]2CC3(CC(F)C3)C2)c2cc(F)ccc2n1C ZINC000894975478 1309140753 /nfs/dbraw/zinc/14/07/53/1309140753.db2.gz AKRSJIZTGFFEIV-UHFFFAOYSA-N 1 2 334.366 3.038 10 10 EGCELO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)cc(F)c3O)O2)[C@H]1C ZINC000895819585 1309535049 /nfs/dbraw/zinc/53/50/49/1309535049.db2.gz BLMTXOLZIODJTF-PMOCNGQXSA-N 1 2 343.826 3.247 10 10 EGCELO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cccc(Cl)c3O)O2)[C@H]1C ZINC000895819513 1309535172 /nfs/dbraw/zinc/53/51/72/1309535172.db2.gz AETDRRGXLXBQLA-NOSGZIGASA-N 1 2 325.836 3.108 10 10 EGCELO C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1O ZINC000857875100 1328612013 /nfs/dbraw/zinc/61/20/13/1328612013.db2.gz GIKAJVKHPDHNIG-HWPZZCPQSA-N 1 2 332.350 3.034 10 10 EGCELO Oc1c(F)cc(Br)cc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000923029397 1322678808 /nfs/dbraw/zinc/67/88/08/1322678808.db2.gz CJHAJBHUTGNXTC-ZUZCIYMTSA-N 1 2 342.208 3.095 10 10 EGCELO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000866633270 1330136113 /nfs/dbraw/zinc/13/61/13/1330136113.db2.gz HDRZQSIYEXWBIE-WCABBAIRSA-N 1 2 334.229 3.494 10 10 EGCELO CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1O ZINC000527958842 312984106 /nfs/dbraw/zinc/98/41/06/312984106.db2.gz XAZHKCPJCKLCDH-IHRRRGAJSA-N 1 2 334.243 3.280 10 10 EGCELO COc1ccc(O)c(C[NH2+]C2(c3noc(C(C)C)n3)CCCC2)c1 ZINC000181799760 455383003 /nfs/dbraw/zinc/38/30/03/455383003.db2.gz CRBTWYYFBRIESO-UHFFFAOYSA-N 1 2 331.416 3.466 10 10 EGCELO Cc1nnc([C@H]([NH2+][C@H](C)c2cc(F)ccc2O)c2ccccc2)[nH]1 ZINC000185325019 455540704 /nfs/dbraw/zinc/54/07/04/455540704.db2.gz LTXAFVPUWKGVRI-PIGZYNQJSA-N 1 2 326.375 3.398 10 10 EGCELO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2O)C1 ZINC000186111134 455695854 /nfs/dbraw/zinc/69/58/54/455695854.db2.gz DRIRNRLVBGTWFV-UWVGGRQHSA-N 1 2 346.258 3.153 10 10 EGCELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(Cl)c(Cl)cc1O ZINC000192939620 455722471 /nfs/dbraw/zinc/72/24/71/455722471.db2.gz YPFGHTPHACKRTN-UFBFGSQYSA-N 1 2 327.215 3.476 10 10 EGCELO C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCCO2 ZINC000273388040 456226763 /nfs/dbraw/zinc/22/67/63/456226763.db2.gz KBRPMPUSRDFIOQ-VXGBXAGGSA-N 1 2 344.367 3.483 10 10 EGCELO COc1ccc(O)c([C@@H](C)[NH2+]Cc2noc(-c3ccccc3)n2)c1 ZINC000182445687 1295047632 /nfs/dbraw/zinc/04/76/32/1295047632.db2.gz ZEUHJGDEPSRMGP-GFCCVEGCSA-N 1 2 325.368 3.302 10 10 EGCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000895752056 1309504304 /nfs/dbraw/zinc/50/43/04/1309504304.db2.gz CNQAWUVVFCSKNH-AWEZNQCLSA-N 1 2 327.758 3.017 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895776272 1309513829 /nfs/dbraw/zinc/51/38/29/1309513829.db2.gz AYLJMNMNDPLQJI-AOOOYVTPSA-N 1 2 332.238 3.089 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895776272 1309513835 /nfs/dbraw/zinc/51/38/35/1309513835.db2.gz AYLJMNMNDPLQJI-AOOOYVTPSA-N 1 2 332.238 3.089 10 10 EGCELO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000858210579 1328711793 /nfs/dbraw/zinc/71/17/93/1328711793.db2.gz ASXAXHYVSPWRSI-UHFFFAOYSA-N 1 2 337.704 3.227 10 10 EGCELO Oc1ccccc1C[N@@H+](Cc1c(F)cncc1F)C[C@@H]1CCCO1 ZINC000929971194 1328752440 /nfs/dbraw/zinc/75/24/40/1328752440.db2.gz NPLSFYFJEYNOGJ-AWEZNQCLSA-N 1 2 334.366 3.247 10 10 EGCELO Oc1ccccc1C[N@H+](Cc1c(F)cncc1F)C[C@@H]1CCCO1 ZINC000929971194 1328752443 /nfs/dbraw/zinc/75/24/43/1328752443.db2.gz NPLSFYFJEYNOGJ-AWEZNQCLSA-N 1 2 334.366 3.247 10 10 EGCELO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000866633268 1330136079 /nfs/dbraw/zinc/13/60/79/1330136079.db2.gz HDRZQSIYEXWBIE-IQJOONFLSA-N 1 2 334.229 3.494 10 10 EGCELO C[NH+](C)Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC001141737818 1378368401 /nfs/dbraw/zinc/36/84/01/1378368401.db2.gz JKSDOUHAYMVMPC-UHFFFAOYSA-N 1 2 343.210 3.284 10 10 EGCELO COc1ccc2[nH]c3c(c2c1)CC[N@H+](Cc1cc(OC)ccc1O)C3 ZINC001332021629 1389949321 /nfs/dbraw/zinc/94/93/21/1389949321.db2.gz OCJKPCUJRJKRMH-UHFFFAOYSA-N 1 2 338.407 3.449 10 10 EGCELO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](Cc1cc(OC)ccc1O)C3 ZINC001332021629 1389949326 /nfs/dbraw/zinc/94/93/26/1389949326.db2.gz OCJKPCUJRJKRMH-UHFFFAOYSA-N 1 2 338.407 3.449 10 10 EGCELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000190143205 455282619 /nfs/dbraw/zinc/28/26/19/455282619.db2.gz ABCWEJTWYVZERN-UONOGXRCSA-N 1 2 337.807 3.007 10 10 EGCELO CC[NH+](CC)Cc1nc(C2([NH2+]Cc3ccccc3O)CCCC2)no1 ZINC000124067272 454697168 /nfs/dbraw/zinc/69/71/68/454697168.db2.gz FJYZUGUECOYJDN-UHFFFAOYSA-N 1 2 344.459 3.176 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179467335 455049935 /nfs/dbraw/zinc/04/99/35/455049935.db2.gz UJNYBLVAMXYOLM-LBPRGKRZSA-N 1 2 327.215 3.128 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179467335 455049941 /nfs/dbraw/zinc/04/99/41/455049941.db2.gz UJNYBLVAMXYOLM-LBPRGKRZSA-N 1 2 327.215 3.128 10 10 EGCELO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1O ZINC000287583000 456072702 /nfs/dbraw/zinc/07/27/02/456072702.db2.gz HMZDMFWAWCKEAP-MFKMUULPSA-N 1 2 331.243 3.361 10 10 EGCELO CCOCc1nc([C@H](C)[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)no1 ZINC000290131359 456247949 /nfs/dbraw/zinc/24/79/49/456247949.db2.gz JZGPWPOMTKSSOR-BBRMVZONSA-N 1 2 332.448 3.474 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000378421937 457395104 /nfs/dbraw/zinc/39/51/04/457395104.db2.gz JQKNMHQLQJQANJ-IUODEOHRSA-N 1 2 332.227 3.127 10 10 EGCELO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000376635785 458357995 /nfs/dbraw/zinc/35/79/95/458357995.db2.gz ZDBFWACDCJLXSA-CJNGLKHVSA-N 1 2 346.254 3.469 10 10 EGCELO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000376635785 458357997 /nfs/dbraw/zinc/35/79/97/458357997.db2.gz ZDBFWACDCJLXSA-CJNGLKHVSA-N 1 2 346.254 3.469 10 10 EGCELO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@@H](C(F)(F)F)O1 ZINC000895477016 1309359048 /nfs/dbraw/zinc/35/90/48/1309359048.db2.gz PGUMFKYXRBGOBY-PELKAZGASA-N 1 2 325.277 3.212 10 10 EGCELO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@@H](C(F)(F)F)O1 ZINC000895477016 1309359057 /nfs/dbraw/zinc/35/90/57/1309359057.db2.gz PGUMFKYXRBGOBY-PELKAZGASA-N 1 2 325.277 3.212 10 10 EGCELO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)cc(F)c3O)O2)CO1 ZINC000895823278 1309537531 /nfs/dbraw/zinc/53/75/31/1309537531.db2.gz ZCTPGDCUWGKHDL-CKUKBARFSA-N 1 2 329.799 3.001 10 10 EGCELO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000896131943 1309714712 /nfs/dbraw/zinc/71/47/12/1309714712.db2.gz DAROJLQLNIDVJG-JTQLQIEISA-N 1 2 343.408 3.055 10 10 EGCELO Cc1cn(C(C)(C)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c[nH+]1 ZINC000897983831 1310539391 /nfs/dbraw/zinc/53/93/91/1310539391.db2.gz MOENYIYXKKXIAB-HNNXBMFYSA-N 1 2 342.487 3.048 10 10 EGCELO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(Cl)c1O ZINC000927037369 1327827093 /nfs/dbraw/zinc/82/70/93/1327827093.db2.gz DHNFBWSXVASGJQ-UKAJUAJCSA-N 1 2 343.876 3.195 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O)(C3CCC3)CC2)c1O ZINC000932820964 1329843921 /nfs/dbraw/zinc/84/39/21/1329843921.db2.gz WCAMWLBQTUKEBS-UHFFFAOYSA-N 1 2 337.847 3.375 10 10 EGCELO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000089782870 454197862 /nfs/dbraw/zinc/19/78/62/454197862.db2.gz QDYJQBCDOKCQII-ROUUACIJSA-N 1 2 346.358 3.449 10 10 EGCELO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1O ZINC000156504788 455125894 /nfs/dbraw/zinc/12/58/94/455125894.db2.gz BTHSFEFFSHAGSD-BXKDBHETSA-N 1 2 341.242 3.346 10 10 EGCELO COc1cc(Cl)cc(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000372921876 458349625 /nfs/dbraw/zinc/34/96/25/458349625.db2.gz KZLZHMYTVNBUTL-OAHLLOKOSA-N 1 2 344.802 3.052 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c1O ZINC000528788799 459814290 /nfs/dbraw/zinc/81/42/90/459814290.db2.gz LOBGRSXKPQLVMS-OAHLLOKOSA-N 1 2 347.802 3.081 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c1O ZINC000528788799 459814293 /nfs/dbraw/zinc/81/42/93/459814293.db2.gz LOBGRSXKPQLVMS-OAHLLOKOSA-N 1 2 347.802 3.081 10 10 EGCELO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000715783897 1298288946 /nfs/dbraw/zinc/28/89/46/1298288946.db2.gz DTNQOYYDLNNVLJ-LBPRGKRZSA-N 1 2 332.213 3.295 10 10 EGCELO COC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000715783897 1298288953 /nfs/dbraw/zinc/28/89/53/1298288953.db2.gz DTNQOYYDLNNVLJ-LBPRGKRZSA-N 1 2 332.213 3.295 10 10 EGCELO Oc1c(F)cc(Br)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000895133448 1309203591 /nfs/dbraw/zinc/20/35/91/1309203591.db2.gz JPIQXNPVYSFQAA-UHFFFAOYSA-N 1 2 344.224 3.031 10 10 EGCELO CC(C)(C)c1coc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000921552758 1322350250 /nfs/dbraw/zinc/35/02/50/1322350250.db2.gz MQOKDKJJZDXAEY-UHFFFAOYSA-N 1 2 347.434 3.238 10 10 EGCELO CC(C)(C)c1coc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000922262849 1322488948 /nfs/dbraw/zinc/48/89/48/1322488948.db2.gz KVMSXGPRFSXNTR-UHFFFAOYSA-N 1 2 343.471 3.223 10 10 EGCELO C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000927155221 1327896358 /nfs/dbraw/zinc/89/63/58/1327896358.db2.gz GMRAMJHKDZQRCX-VRHCTWJESA-N 1 2 333.378 3.414 10 10 EGCELO F[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000866240956 1330084194 /nfs/dbraw/zinc/08/41/94/1330084194.db2.gz RQTXSCVDWOYSJS-QUCCMNQESA-N 1 2 342.414 3.085 10 10 EGCELO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000184687055 455427740 /nfs/dbraw/zinc/42/77/40/455427740.db2.gz YKRBWAHUYCUZDK-ZDUSSCGKSA-N 1 2 340.832 3.084 10 10 EGCELO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000184687055 455427743 /nfs/dbraw/zinc/42/77/43/455427743.db2.gz YKRBWAHUYCUZDK-ZDUSSCGKSA-N 1 2 340.832 3.084 10 10 EGCELO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)no1 ZINC000290092008 456237917 /nfs/dbraw/zinc/23/79/17/456237917.db2.gz HLYUHCSNFAILJR-UWVGGRQHSA-N 1 2 325.796 3.377 10 10 EGCELO CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1O ZINC000527951706 459780887 /nfs/dbraw/zinc/78/08/87/459780887.db2.gz DGHWHHORLMMOAD-AVGNSLFASA-N 1 2 334.243 3.280 10 10 EGCELO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(F)c1O ZINC000187755534 547141109 /nfs/dbraw/zinc/14/11/09/547141109.db2.gz VCXUVHSGGQOXRZ-WDEREUQCSA-N 1 2 337.345 3.134 10 10 EGCELO COc1ccc([NH+]2CCC(NC(=O)C[C@H](C)n3cccc3)CC2)cc1 ZINC000729532412 574869804 /nfs/dbraw/zinc/86/98/04/574869804.db2.gz ZSHYOFOCJYPEKK-INIZCTEOSA-N 1 2 341.455 3.233 10 10 EGCELO CN(C)c1ccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000034686933 1291390744 /nfs/dbraw/zinc/39/07/44/1291390744.db2.gz JNBJUMYLPWHBCD-FQEVSTJZSA-N 1 2 326.440 3.032 10 10 EGCELO CN(C)c1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000034686933 1291390753 /nfs/dbraw/zinc/39/07/53/1291390753.db2.gz JNBJUMYLPWHBCD-FQEVSTJZSA-N 1 2 326.440 3.032 10 10 EGCELO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000894813658 1309083675 /nfs/dbraw/zinc/08/36/75/1309083675.db2.gz CCXAQSOAOVKTBV-NSHDSACASA-N 1 2 334.641 3.153 10 10 EGCELO CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000894813658 1309083684 /nfs/dbraw/zinc/08/36/84/1309083684.db2.gz CCXAQSOAOVKTBV-NSHDSACASA-N 1 2 334.641 3.153 10 10 EGCELO Cc1cn(C(C)(C)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c[nH+]1 ZINC000897983832 1310539373 /nfs/dbraw/zinc/53/93/73/1310539373.db2.gz MOENYIYXKKXIAB-OAHLLOKOSA-N 1 2 342.487 3.048 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1O ZINC000177118103 454825377 /nfs/dbraw/zinc/82/53/77/454825377.db2.gz KGXLZTHCOIGUKY-INIZCTEOSA-N 1 2 333.819 3.319 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1O ZINC000177118103 454825383 /nfs/dbraw/zinc/82/53/83/454825383.db2.gz KGXLZTHCOIGUKY-INIZCTEOSA-N 1 2 333.819 3.319 10 10 EGCELO Cc1cc(C[N@@H+](C)Cc2cc(Br)cc(C)c2O)no1 ZINC000179734718 455071409 /nfs/dbraw/zinc/07/14/09/455071409.db2.gz JRQOJXHSGJZCCT-UHFFFAOYSA-N 1 2 325.206 3.392 10 10 EGCELO Cc1cc(C[N@H+](C)Cc2cc(Br)cc(C)c2O)no1 ZINC000179734718 455071411 /nfs/dbraw/zinc/07/14/11/455071411.db2.gz JRQOJXHSGJZCCT-UHFFFAOYSA-N 1 2 325.206 3.392 10 10 EGCELO CO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)n1 ZINC000271761992 455750471 /nfs/dbraw/zinc/75/04/71/455750471.db2.gz DUOMLIWSJJVBNV-JTQLQIEISA-N 1 2 325.796 3.076 10 10 EGCELO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)n1 ZINC000271761992 455750476 /nfs/dbraw/zinc/75/04/76/455750476.db2.gz DUOMLIWSJJVBNV-JTQLQIEISA-N 1 2 325.796 3.076 10 10 EGCELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CC2 ZINC000374644349 457679469 /nfs/dbraw/zinc/67/94/69/457679469.db2.gz GLYOGHKXWMPBSZ-UHFFFAOYSA-N 1 2 334.423 3.255 10 10 EGCELO COc1cc(C[N@@H+]2CCO[C@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000193438895 1295868744 /nfs/dbraw/zinc/86/87/44/1295868744.db2.gz ANRMOXZMHRGKCG-AWEZNQCLSA-N 1 2 329.387 3.164 10 10 EGCELO COc1cc(C[N@H+]2CCO[C@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000193438895 1295868753 /nfs/dbraw/zinc/86/87/53/1295868753.db2.gz ANRMOXZMHRGKCG-AWEZNQCLSA-N 1 2 329.387 3.164 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000895461754 1309350516 /nfs/dbraw/zinc/35/05/16/1309350516.db2.gz PNVPWHZDZKNANP-KOLCDFICSA-N 1 2 346.265 3.479 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000895461754 1309350525 /nfs/dbraw/zinc/35/05/25/1309350525.db2.gz PNVPWHZDZKNANP-KOLCDFICSA-N 1 2 346.265 3.479 10 10 EGCELO CC1([NH+]2CCC2)CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000895671963 1309458537 /nfs/dbraw/zinc/45/85/37/1309458537.db2.gz RURGOSRHTDCRII-UHFFFAOYSA-N 1 2 339.823 3.014 10 10 EGCELO Cc1cc(C2([NH2+]Cc3c(O)ccc(Cl)c3F)CCOCC2)on1 ZINC000858326385 1328737499 /nfs/dbraw/zinc/73/74/99/1328737499.db2.gz MLBVPSTVIGEBEG-UHFFFAOYSA-N 1 2 340.782 3.277 10 10 EGCELO C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(F)cc(F)c1O ZINC000858528808 1328789092 /nfs/dbraw/zinc/78/90/92/1328789092.db2.gz FQOLIWYODMSZFS-MGPLVRAMSA-N 1 2 332.350 3.148 10 10 EGCELO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3cccc(F)c3)CC2)c1O ZINC001308011368 1384074143 /nfs/dbraw/zinc/07/41/43/1384074143.db2.gz ORYYVKRIAUJEMM-UHFFFAOYSA-N 1 2 346.377 3.195 10 10 EGCELO CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1O ZINC000527951711 312982375 /nfs/dbraw/zinc/98/23/75/312982375.db2.gz DGHWHHORLMMOAD-XQQFMLRXSA-N 1 2 334.243 3.280 10 10 EGCELO Cn1cc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3O)C2)cn1 ZINC000128459092 455057519 /nfs/dbraw/zinc/05/75/19/455057519.db2.gz XIBLUMFHBDATDS-SNVBAGLBSA-N 1 2 326.227 3.422 10 10 EGCELO Cn1cc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3O)C2)cn1 ZINC000128459092 455057523 /nfs/dbraw/zinc/05/75/23/455057523.db2.gz XIBLUMFHBDATDS-SNVBAGLBSA-N 1 2 326.227 3.422 10 10 EGCELO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000071792520 454217838 /nfs/dbraw/zinc/21/78/38/454217838.db2.gz KZSMEDIWALHQKD-LLVKDONJSA-N 1 2 332.356 3.168 10 10 EGCELO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190162593 455284320 /nfs/dbraw/zinc/28/43/20/455284320.db2.gz HTJIOTARGSOUDR-ZWKOTPCHSA-N 1 2 344.459 3.186 10 10 EGCELO CCN(CC)c1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190162593 455284325 /nfs/dbraw/zinc/28/43/25/455284325.db2.gz HTJIOTARGSOUDR-ZWKOTPCHSA-N 1 2 344.459 3.186 10 10 EGCELO OC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1C(F)(F)F ZINC000294591284 455820026 /nfs/dbraw/zinc/82/00/26/455820026.db2.gz HKQOEBFCQZCNNM-NXEZZACHSA-N 1 2 341.732 3.177 10 10 EGCELO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1C(F)(F)F ZINC000294591284 455820029 /nfs/dbraw/zinc/82/00/29/455820029.db2.gz HKQOEBFCQZCNNM-NXEZZACHSA-N 1 2 341.732 3.177 10 10 EGCELO Cc1noc(C2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000295224536 455843091 /nfs/dbraw/zinc/84/30/91/455843091.db2.gz CCPYMGDEEBRINM-UHFFFAOYSA-N 1 2 325.771 3.256 10 10 EGCELO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187777334 455951347 /nfs/dbraw/zinc/95/13/47/455951347.db2.gz RSAPOZOUMYZCAR-MNOVXSKESA-N 1 2 336.386 3.051 10 10 EGCELO COC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708076156 1298233138 /nfs/dbraw/zinc/23/31/38/1298233138.db2.gz SVUVDOKKCTVGMY-NSHDSACASA-N 1 2 334.641 3.419 10 10 EGCELO COC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708076156 1298233150 /nfs/dbraw/zinc/23/31/50/1298233150.db2.gz SVUVDOKKCTVGMY-NSHDSACASA-N 1 2 334.641 3.419 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000894088565 1306211303 /nfs/dbraw/zinc/21/13/03/1306211303.db2.gz LSUHRMCPTKDHMM-IINYFYTJSA-N 1 2 344.224 3.295 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000894088565 1306211307 /nfs/dbraw/zinc/21/13/07/1306211307.db2.gz LSUHRMCPTKDHMM-IINYFYTJSA-N 1 2 344.224 3.295 10 10 EGCELO CCN(CC)c1ccc(C[NH2+]Cc2ncc(C(=O)OC)s2)cc1 ZINC000894195396 1306269653 /nfs/dbraw/zinc/26/96/53/1306269653.db2.gz ZCZLJJBRIPCHMS-UHFFFAOYSA-N 1 2 333.457 3.066 10 10 EGCELO COC(=O)c1c(C[NH2+]Cc2ncc(C)s2)c2cc(F)ccc2n1C ZINC000894267720 1306312477 /nfs/dbraw/zinc/31/24/77/1306312477.db2.gz BFEUFCRPFHFTPJ-UHFFFAOYSA-N 1 2 347.415 3.159 10 10 EGCELO OCC1([C@@H]([NH2+]Cc2cc(F)cc(F)c2O)c2ccncc2)CCC1 ZINC000895359002 1309299981 /nfs/dbraw/zinc/29/99/81/1309299981.db2.gz KAQCRFILAQSRDA-KRWDZBQOSA-N 1 2 334.366 3.059 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000895461755 1309349319 /nfs/dbraw/zinc/34/93/19/1309349319.db2.gz PNVPWHZDZKNANP-MWLCHTKSSA-N 1 2 346.265 3.479 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000895461755 1309349311 /nfs/dbraw/zinc/34/93/11/1309349311.db2.gz PNVPWHZDZKNANP-MWLCHTKSSA-N 1 2 346.265 3.479 10 10 EGCELO Oc1c(F)cc(F)cc1C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000895462044 1309349917 /nfs/dbraw/zinc/34/99/17/1309349917.db2.gz HMUQRPOHYZCOQH-HNNXBMFYSA-N 1 2 331.366 3.050 10 10 EGCELO Oc1c(F)cc(F)cc1C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000895462044 1309349927 /nfs/dbraw/zinc/34/99/27/1309349927.db2.gz HMUQRPOHYZCOQH-HNNXBMFYSA-N 1 2 331.366 3.050 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000895461753 1309350334 /nfs/dbraw/zinc/35/03/34/1309350334.db2.gz PNVPWHZDZKNANP-GXSJLCMTSA-N 1 2 346.265 3.479 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000895461753 1309350342 /nfs/dbraw/zinc/35/03/42/1309350342.db2.gz PNVPWHZDZKNANP-GXSJLCMTSA-N 1 2 346.265 3.479 10 10 EGCELO COc1c(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)ccc1[N+](=O)[O-] ZINC000895690693 1309467102 /nfs/dbraw/zinc/46/71/02/1309467102.db2.gz KKBRKQVPLVLFJC-GOEBONIOSA-N 1 2 346.358 3.424 10 10 EGCELO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3cccc(Cl)c3O)O2)[C@H]1C ZINC000895819512 1309534572 /nfs/dbraw/zinc/53/45/72/1309534572.db2.gz AETDRRGXLXBQLA-MYLCLEHYSA-N 1 2 325.836 3.108 10 10 EGCELO C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000927155220 1327896117 /nfs/dbraw/zinc/89/61/17/1327896117.db2.gz GMRAMJHKDZQRCX-PEELUZDISA-N 1 2 333.378 3.414 10 10 EGCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000862434467 1329486621 /nfs/dbraw/zinc/48/66/21/1329486621.db2.gz CNNGCXGZUNQNEK-LLVKDONJSA-N 1 2 337.704 3.274 10 10 EGCELO Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1 ZINC001301548564 1383719474 /nfs/dbraw/zinc/71/94/74/1383719474.db2.gz XHJYFMAZDCLWDU-UHFFFAOYSA-N 1 2 336.439 3.456 10 10 EGCELO Cc1cccn2cc(CC(=O)NCc3c(O)ccc4ccccc43)[nH+]c12 ZINC001179032966 1386383583 /nfs/dbraw/zinc/38/35/83/1386383583.db2.gz SBCLDHVFSUAQJH-UHFFFAOYSA-N 1 2 345.402 3.360 10 10 EGCELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(Cl)c(Cl)c1O ZINC000185663496 455591575 /nfs/dbraw/zinc/59/15/75/455591575.db2.gz AFJVTCRSFSBTPI-KCJUWKMLSA-N 1 2 327.215 3.476 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c1O ZINC000528788797 459814329 /nfs/dbraw/zinc/81/43/29/459814329.db2.gz LOBGRSXKPQLVMS-HNNXBMFYSA-N 1 2 347.802 3.081 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c1O ZINC000528788797 459814331 /nfs/dbraw/zinc/81/43/31/459814331.db2.gz LOBGRSXKPQLVMS-HNNXBMFYSA-N 1 2 347.802 3.081 10 10 EGCELO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(Cl)s2)c1 ZINC000872117074 1296742836 /nfs/dbraw/zinc/74/28/36/1296742836.db2.gz YMQHUBBEETZTPZ-MRVPVSSYSA-N 1 2 326.805 3.140 10 10 EGCELO CC(C)[NH+]1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708140224 1298237305 /nfs/dbraw/zinc/23/73/05/1298237305.db2.gz JLOXSBNHWBOSBY-UHFFFAOYSA-N 1 2 347.684 3.334 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[NH2+]C2(c3ncccn3)CCC2)c1O ZINC000880365413 1301083355 /nfs/dbraw/zinc/08/33/55/1301083355.db2.gz KACGUHRZPGJHFM-UHFFFAOYSA-N 1 2 331.803 3.207 10 10 EGCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000895750190 1309502816 /nfs/dbraw/zinc/50/28/16/1309502816.db2.gz XGPOGGXCRVNIRM-CYBMUJFWSA-N 1 2 327.758 3.017 10 10 EGCELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(Cl)c(Cl)c1O ZINC000185663475 455591827 /nfs/dbraw/zinc/59/18/27/455591827.db2.gz AFJVTCRSFSBTPI-KWQFWETISA-N 1 2 327.215 3.476 10 10 EGCELO C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191204189 455463377 /nfs/dbraw/zinc/46/33/77/455463377.db2.gz HOSCBRYUTMCYIA-GFCCVEGCSA-N 1 2 333.382 3.385 10 10 EGCELO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1C(F)(F)F ZINC000294591295 455820334 /nfs/dbraw/zinc/82/03/34/455820334.db2.gz HKQOEBFCQZCNNM-VHSXEESVSA-N 1 2 341.732 3.177 10 10 EGCELO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1C(F)(F)F ZINC000294591295 455820337 /nfs/dbraw/zinc/82/03/37/455820337.db2.gz HKQOEBFCQZCNNM-VHSXEESVSA-N 1 2 341.732 3.177 10 10 EGCELO Clc1ccc(C2=CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cn1 ZINC000365028757 457724465 /nfs/dbraw/zinc/72/44/65/457724465.db2.gz LHTVWUTYDFHGCX-UHFFFAOYSA-N 1 2 341.846 3.419 10 10 EGCELO Clc1ccc(C2=CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cn1 ZINC000365028757 457724469 /nfs/dbraw/zinc/72/44/69/457724469.db2.gz LHTVWUTYDFHGCX-UHFFFAOYSA-N 1 2 341.846 3.419 10 10 EGCELO COc1ccc([NH+]2CCC(NC(=O)C[C@@H](C)n3cccc3)CC2)cc1 ZINC000729532413 574869705 /nfs/dbraw/zinc/86/97/05/574869705.db2.gz ZSHYOFOCJYPEKK-MRXNPFEDSA-N 1 2 341.455 3.233 10 10 EGCELO C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708139767 1298237396 /nfs/dbraw/zinc/23/73/96/1298237396.db2.gz IMYXMSLQJGESQP-GFCCVEGCSA-N 1 2 347.684 3.334 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000880056810 1300905648 /nfs/dbraw/zinc/90/56/48/1300905648.db2.gz KVRJXUKUMFLEAL-LKFCYVNXSA-N 1 2 349.324 3.276 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000880056810 1300905655 /nfs/dbraw/zinc/90/56/55/1300905655.db2.gz KVRJXUKUMFLEAL-LKFCYVNXSA-N 1 2 349.324 3.276 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000894088567 1306211175 /nfs/dbraw/zinc/21/11/75/1306211175.db2.gz LSUHRMCPTKDHMM-YGRLFVJLSA-N 1 2 344.224 3.295 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000894088567 1306211179 /nfs/dbraw/zinc/21/11/79/1306211179.db2.gz LSUHRMCPTKDHMM-YGRLFVJLSA-N 1 2 344.224 3.295 10 10 EGCELO COc1ccc(N2CC[NH+]([C@@H](C)c3ccc(F)nc3)CC2)c(OC)c1 ZINC000931530518 1329136971 /nfs/dbraw/zinc/13/69/71/1329136971.db2.gz IFDAJXFIGAZGSQ-AWEZNQCLSA-N 1 2 345.418 3.121 10 10 EGCELO C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)c1ccnn1C ZINC000866615547 1330133438 /nfs/dbraw/zinc/13/34/38/1330133438.db2.gz VITAWABOHVRQEY-RKDXNWHRSA-N 1 2 342.212 3.439 10 10 EGCELO COc1ccc2[nH]c3c(c2c1)CC[N@H+](Cc1c(O)cccc1OC)C3 ZINC001331566646 1389805151 /nfs/dbraw/zinc/80/51/51/1389805151.db2.gz RUFXFFNAHJKAGK-UHFFFAOYSA-N 1 2 338.407 3.449 10 10 EGCELO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](Cc1c(O)cccc1OC)C3 ZINC001331566646 1389805156 /nfs/dbraw/zinc/80/51/56/1389805156.db2.gz RUFXFFNAHJKAGK-UHFFFAOYSA-N 1 2 338.407 3.449 10 10 EGCELO O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004313810 210168081 /nfs/dbraw/zinc/16/80/81/210168081.db2.gz WEKACGMBIJABEO-QGZVFWFLSA-N 1 2 332.363 3.219 10 10 EGCELO O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004313810 210168083 /nfs/dbraw/zinc/16/80/83/210168083.db2.gz WEKACGMBIJABEO-QGZVFWFLSA-N 1 2 332.363 3.219 10 10 EGCELO CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000280154257 455904459 /nfs/dbraw/zinc/90/44/59/455904459.db2.gz DVDBPRDUPHTMKN-INIZCTEOSA-N 1 2 346.254 3.469 10 10 EGCELO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000280154257 455904464 /nfs/dbraw/zinc/90/44/64/455904464.db2.gz DVDBPRDUPHTMKN-INIZCTEOSA-N 1 2 346.254 3.469 10 10 EGCELO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000071792519 454218386 /nfs/dbraw/zinc/21/83/86/454218386.db2.gz KZSMEDIWALHQKD-NSHDSACASA-N 1 2 332.356 3.168 10 10 EGCELO CCOCc1nc([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)no1 ZINC000290997251 456491276 /nfs/dbraw/zinc/49/12/76/456491276.db2.gz ALUVSJMBXHJCPY-OAHLLOKOSA-N 1 2 344.459 3.447 10 10 EGCELO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1cc2c(cc1O)CCC2 ZINC000738157316 576294521 /nfs/dbraw/zinc/29/45/21/576294521.db2.gz VQAJJBHGPUYAAS-UHFFFAOYSA-N 1 2 339.361 3.272 10 10 EGCELO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1cc2c(cc1O)CCC2 ZINC000738157316 576294525 /nfs/dbraw/zinc/29/45/25/576294525.db2.gz VQAJJBHGPUYAAS-UHFFFAOYSA-N 1 2 339.361 3.272 10 10 EGCELO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC000895275746 1309267247 /nfs/dbraw/zinc/26/72/47/1309267247.db2.gz OXRCCEBSYNDHST-IINYFYTJSA-N 1 2 346.652 3.276 10 10 EGCELO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC000895275746 1309267253 /nfs/dbraw/zinc/26/72/53/1309267253.db2.gz OXRCCEBSYNDHST-IINYFYTJSA-N 1 2 346.652 3.276 10 10 EGCELO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@@H](C(F)(F)F)O1 ZINC000895477019 1309359095 /nfs/dbraw/zinc/35/90/95/1309359095.db2.gz PGUMFKYXRBGOBY-UFBFGSQYSA-N 1 2 325.277 3.212 10 10 EGCELO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@@H](C(F)(F)F)O1 ZINC000895477019 1309359105 /nfs/dbraw/zinc/35/91/05/1309359105.db2.gz PGUMFKYXRBGOBY-UFBFGSQYSA-N 1 2 325.277 3.212 10 10 EGCELO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000896882217 1310066642 /nfs/dbraw/zinc/06/66/42/1310066642.db2.gz AQTNIBPACKCAEU-UHFFFAOYSA-N 1 2 343.408 3.055 10 10 EGCELO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000896882217 1310066650 /nfs/dbraw/zinc/06/66/50/1310066650.db2.gz AQTNIBPACKCAEU-UHFFFAOYSA-N 1 2 343.408 3.055 10 10 EGCELO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857988032 1328649356 /nfs/dbraw/zinc/64/93/56/1328649356.db2.gz ARPCYFGQWQMNHD-QGZVFWFLSA-N 1 2 334.423 3.474 10 10 EGCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000862434468 1329486612 /nfs/dbraw/zinc/48/66/12/1329486612.db2.gz CNNGCXGZUNQNEK-NSHDSACASA-N 1 2 337.704 3.274 10 10 EGCELO F[C@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000866240955 1330084205 /nfs/dbraw/zinc/08/42/05/1330084205.db2.gz RQTXSCVDWOYSJS-ICSRJNTNSA-N 1 2 342.414 3.085 10 10 EGCELO O=C(C1CC[NH+](Cc2cccc(Cl)c2O)CC1)N1CCCCC1 ZINC000179590769 455060709 /nfs/dbraw/zinc/06/07/09/455060709.db2.gz UMKGHZWVNWLPDM-UHFFFAOYSA-N 1 2 336.863 3.270 10 10 EGCELO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1O ZINC000156505033 455126167 /nfs/dbraw/zinc/12/61/67/455126167.db2.gz BTHSFEFFSHAGSD-JOYOIKCWSA-N 1 2 341.242 3.346 10 10 EGCELO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000191334187 455477966 /nfs/dbraw/zinc/47/79/66/455477966.db2.gz AITOGKQEASENCD-UHFFFAOYSA-N 1 2 336.798 3.051 10 10 EGCELO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2O)C1 ZINC000186111183 455695580 /nfs/dbraw/zinc/69/55/80/455695580.db2.gz DRIRNRLVBGTWFV-NXEZZACHSA-N 1 2 346.258 3.153 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000295406950 455848081 /nfs/dbraw/zinc/84/80/81/455848081.db2.gz RGMAVKFJCVJIJC-PWSUYJOCSA-N 1 2 327.705 3.072 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000295406950 455848078 /nfs/dbraw/zinc/84/80/78/455848078.db2.gz RGMAVKFJCVJIJC-PWSUYJOCSA-N 1 2 327.705 3.072 10 10 EGCELO CC[C@H]([NH2+][C@H](C)Cn1cncn1)c1cc(Cl)cc(Cl)c1O ZINC000287585744 456072471 /nfs/dbraw/zinc/07/24/71/456072471.db2.gz HRENQMNSSYXXOI-RNCFNFMXSA-N 1 2 329.231 3.420 10 10 EGCELO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@H](C)O2 ZINC000366808220 457900657 /nfs/dbraw/zinc/90/06/57/457900657.db2.gz IPXYHXSOCFMIOQ-PEBVRCNWSA-N 1 2 343.826 3.343 10 10 EGCELO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@H](C)O2 ZINC000366808220 457900664 /nfs/dbraw/zinc/90/06/64/457900664.db2.gz IPXYHXSOCFMIOQ-PEBVRCNWSA-N 1 2 343.826 3.343 10 10 EGCELO O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2[nH+]ccn2c1 ZINC000743171067 576802670 /nfs/dbraw/zinc/80/26/70/576802670.db2.gz PPOFQQCOLIXWHR-UHFFFAOYSA-N 1 2 336.395 3.240 10 10 EGCELO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC000092973996 1292904549 /nfs/dbraw/zinc/90/45/49/1292904549.db2.gz HXPGFPIQUCAMFZ-GOSISDBHSA-N 1 2 335.350 3.253 10 10 EGCELO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC000092973996 1292904557 /nfs/dbraw/zinc/90/45/57/1292904557.db2.gz HXPGFPIQUCAMFZ-GOSISDBHSA-N 1 2 335.350 3.253 10 10 EGCELO COC(=O)c1cnc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000893948328 1306141194 /nfs/dbraw/zinc/14/11/94/1306141194.db2.gz TWEXCZWKFMZNQX-UHFFFAOYSA-N 1 2 347.484 3.406 10 10 EGCELO COC(=O)c1cnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000893948328 1306141203 /nfs/dbraw/zinc/14/12/03/1306141203.db2.gz TWEXCZWKFMZNQX-UHFFFAOYSA-N 1 2 347.484 3.406 10 10 EGCELO COCC1(C2CC2)C[NH+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895439524 1309337048 /nfs/dbraw/zinc/33/70/48/1309337048.db2.gz CUIKSRMIULCYTM-UHFFFAOYSA-N 1 2 344.224 3.152 10 10 EGCELO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1O ZINC000857875106 1328612146 /nfs/dbraw/zinc/61/21/46/1328612146.db2.gz GIKAJVKHPDHNIG-QLJPJBMISA-N 1 2 332.350 3.034 10 10 EGCELO C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000926963137 1327800495 /nfs/dbraw/zinc/80/04/95/1327800495.db2.gz MMPMBUNRUZBFMA-PELKAZGASA-N 1 2 326.309 3.204 10 10 EGCELO Oc1c(Cl)cccc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000180031180 455119312 /nfs/dbraw/zinc/11/93/12/455119312.db2.gz BRNXMOHLMMTIQY-UHFFFAOYSA-N 1 2 337.876 3.210 10 10 EGCELO Oc1c(Cl)cccc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000180031180 455119314 /nfs/dbraw/zinc/11/93/14/455119314.db2.gz BRNXMOHLMMTIQY-UHFFFAOYSA-N 1 2 337.876 3.210 10 10 EGCELO COc1cc(Cl)cc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1O ZINC000184691237 455429335 /nfs/dbraw/zinc/42/93/35/455429335.db2.gz PGDMGOXRPGTJQP-UHFFFAOYSA-N 1 2 349.862 3.469 10 10 EGCELO CC[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cccc(Cl)c1O ZINC000286967540 456058180 /nfs/dbraw/zinc/05/81/80/456058180.db2.gz IFFUJIULKWOPIN-TUKIKUTGSA-N 1 2 329.868 3.244 10 10 EGCELO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cccc(Cl)c1O ZINC000224893816 456070942 /nfs/dbraw/zinc/07/09/42/456070942.db2.gz MLQTVHQDZGCNPM-UHFFFAOYSA-N 1 2 328.840 3.439 10 10 EGCELO CCOc1ccc(O)c(C[NH2+]C2(c3noc(C)n3)CCCCC2)c1 ZINC000263657110 456183491 /nfs/dbraw/zinc/18/34/91/456183491.db2.gz GDQGJROANWGBSV-UHFFFAOYSA-N 1 2 331.416 3.432 10 10 EGCELO CCOCc1nc([C@H](C)[NH2+][C@H](CC)c2ccc(N(C)C)cc2)no1 ZINC000290131362 456248004 /nfs/dbraw/zinc/24/80/04/456248004.db2.gz JZGPWPOMTKSSOR-XJKSGUPXSA-N 1 2 332.448 3.474 10 10 EGCELO CC[N@H+](CC(=O)N1Cc2cccc(O)c2C1)Cc1ccccc1Cl ZINC000871204767 1296271887 /nfs/dbraw/zinc/27/18/87/1296271887.db2.gz KERMILIDIZSJLK-UHFFFAOYSA-N 1 2 344.842 3.410 10 10 EGCELO CC[N@@H+](CC(=O)N1Cc2cccc(O)c2C1)Cc1ccccc1Cl ZINC000871204767 1296271901 /nfs/dbraw/zinc/27/19/01/1296271901.db2.gz KERMILIDIZSJLK-UHFFFAOYSA-N 1 2 344.842 3.410 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000880056811 1300904608 /nfs/dbraw/zinc/90/46/08/1300904608.db2.gz KVRJXUKUMFLEAL-OTYXRUKQSA-N 1 2 349.324 3.276 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000880056811 1300904615 /nfs/dbraw/zinc/90/46/15/1300904615.db2.gz KVRJXUKUMFLEAL-OTYXRUKQSA-N 1 2 349.324 3.276 10 10 EGCELO C[C@@H](O)[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccc1F ZINC000858185799 1328706688 /nfs/dbraw/zinc/70/66/88/1328706688.db2.gz YLEQVVDUGUNXJB-ADLMAVQZSA-N 1 2 338.373 3.382 10 10 EGCELO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nn(CC)nc2C)cc1F ZINC000925013717 1323245396 /nfs/dbraw/zinc/24/53/96/1323245396.db2.gz MMHCYKHAMOCAPN-ZDUSSCGKSA-N 1 2 333.455 3.443 10 10 EGCELO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000863949294 1329590963 /nfs/dbraw/zinc/59/09/63/1329590963.db2.gz CTTVMLQWPDDFAX-RFFSMVSESA-N 1 2 349.478 3.247 10 10 EGCELO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000863949294 1329590964 /nfs/dbraw/zinc/59/09/64/1329590964.db2.gz CTTVMLQWPDDFAX-RFFSMVSESA-N 1 2 349.478 3.247 10 10 EGCELO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(C)nc3)CC2)cc1 ZINC000069460900 454108202 /nfs/dbraw/zinc/10/82/02/454108202.db2.gz UDTHTGVPAVCBEV-UHFFFAOYSA-N 1 2 339.439 3.140 10 10 EGCELO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(Cl)c(Cl)c1O ZINC000184889221 455467211 /nfs/dbraw/zinc/46/72/11/455467211.db2.gz ZWSHDLHBAPICSH-SNVBAGLBSA-N 1 2 331.243 3.362 10 10 EGCELO CCCN(CCC)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccccn2)cc1 ZINC000295119822 455839639 /nfs/dbraw/zinc/83/96/39/455839639.db2.gz NAIDOMDZUWZSPW-LJQANCHMSA-N 1 2 340.471 3.024 10 10 EGCELO CCOCc1nc([C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)no1 ZINC000290903268 456462675 /nfs/dbraw/zinc/46/26/75/456462675.db2.gz MGPYCNMUFBMNFX-JTQLQIEISA-N 1 2 325.796 3.124 10 10 EGCELO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(C)n1-c1ccccc1C ZINC000378309619 457389642 /nfs/dbraw/zinc/38/96/42/457389642.db2.gz PBVVCIYVMXEJQP-INIZCTEOSA-N 1 2 348.450 3.413 10 10 EGCELO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(C)n1-c1ccccc1C ZINC000378309619 457389646 /nfs/dbraw/zinc/38/96/46/457389646.db2.gz PBVVCIYVMXEJQP-INIZCTEOSA-N 1 2 348.450 3.413 10 10 EGCELO CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2noc(CC)n2)c1O ZINC000361156003 457618539 /nfs/dbraw/zinc/61/85/39/457618539.db2.gz FCQZHHHXLCCDLO-AWEZNQCLSA-N 1 2 331.416 3.464 10 10 EGCELO CCOc1cccc(C[N@H+]2CCCC[C@H]2c2noc(CC)n2)c1O ZINC000361156003 457618540 /nfs/dbraw/zinc/61/85/40/457618540.db2.gz FCQZHHHXLCCDLO-AWEZNQCLSA-N 1 2 331.416 3.464 10 10 EGCELO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(F)c1O ZINC000187755585 547141716 /nfs/dbraw/zinc/14/17/16/547141716.db2.gz VCXUVHSGGQOXRZ-MNOVXSKESA-N 1 2 337.345 3.134 10 10 EGCELO COc1ccc([NH+]2CCC(NC(=O)c3ccc(C)nc3C)CC2)cc1 ZINC000726562128 574561774 /nfs/dbraw/zinc/56/17/74/574561774.db2.gz CDACSPCDTPUKAJ-UHFFFAOYSA-N 1 2 339.439 3.106 10 10 EGCELO OC[C@]1(c2ccccc2)CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894677356 1309018026 /nfs/dbraw/zinc/01/80/26/1309018026.db2.gz ZMUJRCGZNZMVFK-IBGZPJMESA-N 1 2 333.378 3.197 10 10 EGCELO OC[C@]1(c2ccccc2)CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894677356 1309018036 /nfs/dbraw/zinc/01/80/36/1309018036.db2.gz ZMUJRCGZNZMVFK-IBGZPJMESA-N 1 2 333.378 3.197 10 10 EGCELO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986498 1328650247 /nfs/dbraw/zinc/65/02/47/1328650247.db2.gz QBKMMXGSMATBNB-ZDUSSCGKSA-N 1 2 326.425 3.227 10 10 EGCELO CC(C)c1[nH]cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)[nH+]1 ZINC001157125314 1380782036 /nfs/dbraw/zinc/78/20/36/1380782036.db2.gz VHWFYCWCLRDNFS-UHFFFAOYSA-N 1 2 331.397 3.089 10 10 EGCELO CC(C)c1[nH]c(CNC(=O)c2cc3cc(O)c(O)cc3s2)c[nH+]1 ZINC001157125314 1380782039 /nfs/dbraw/zinc/78/20/39/1380782039.db2.gz VHWFYCWCLRDNFS-UHFFFAOYSA-N 1 2 331.397 3.089 10 10 EGCELO Cn1cc(C[N@H+](C)Cc2cccc(Cl)c2O)c(C(F)(F)F)n1 ZINC000180771215 455242515 /nfs/dbraw/zinc/24/25/15/455242515.db2.gz XZZZBDHYDYJKDA-UHFFFAOYSA-N 1 2 333.741 3.430 10 10 EGCELO Cn1cc(C[N@@H+](C)Cc2cccc(Cl)c2O)c(C(F)(F)F)n1 ZINC000180771215 455242520 /nfs/dbraw/zinc/24/25/20/455242520.db2.gz XZZZBDHYDYJKDA-UHFFFAOYSA-N 1 2 333.741 3.430 10 10 EGCELO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)N1CCOCC1 ZINC000184936001 455475155 /nfs/dbraw/zinc/47/51/55/455475155.db2.gz CJKUIGGBEGBSOP-QWRGUYRKSA-N 1 2 333.259 3.070 10 10 EGCELO CC(=O)c1cc(F)cc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1O ZINC000175655853 455478369 /nfs/dbraw/zinc/47/83/69/455478369.db2.gz YWNMIUPMZNYUDC-UHFFFAOYSA-N 1 2 345.418 3.149 10 10 EGCELO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(Cl)c(Cl)c1O ZINC000185332985 455541029 /nfs/dbraw/zinc/54/10/29/455541029.db2.gz ZPTICAFYCBHWTN-VIFPVBQESA-N 1 2 333.215 3.192 10 10 EGCELO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1C(F)(F)F ZINC000294591290 455820800 /nfs/dbraw/zinc/82/08/00/455820800.db2.gz HKQOEBFCQZCNNM-UWVGGRQHSA-N 1 2 341.732 3.177 10 10 EGCELO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1C(F)(F)F ZINC000294591290 455820803 /nfs/dbraw/zinc/82/08/03/455820803.db2.gz HKQOEBFCQZCNNM-UWVGGRQHSA-N 1 2 341.732 3.177 10 10 EGCELO CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cccc(Cl)c1O ZINC000286967532 456057967 /nfs/dbraw/zinc/05/79/67/456057967.db2.gz IFFUJIULKWOPIN-BYCMXARLSA-N 1 2 329.868 3.244 10 10 EGCELO C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1[O-] ZINC000530218315 458721933 /nfs/dbraw/zinc/72/19/33/458721933.db2.gz VWSNLHJPDSURCU-ZANVPECISA-N 1 2 343.240 3.229 10 10 EGCELO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1O ZINC000530218315 458721935 /nfs/dbraw/zinc/72/19/35/458721935.db2.gz VWSNLHJPDSURCU-ZANVPECISA-N 1 2 343.240 3.229 10 10 EGCELO CCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708075794 1298233197 /nfs/dbraw/zinc/23/31/97/1298233197.db2.gz PHLBPKJYQPUKNA-LLVKDONJSA-N 1 2 334.641 3.419 10 10 EGCELO CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708075794 1298233209 /nfs/dbraw/zinc/23/32/09/1298233209.db2.gz PHLBPKJYQPUKNA-LLVKDONJSA-N 1 2 334.641 3.419 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC12CCOCC2 ZINC000894570660 1308959697 /nfs/dbraw/zinc/95/96/97/1308959697.db2.gz DPUUWSROJAAKOS-UHFFFAOYSA-N 1 2 330.197 3.049 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CCC12CCOCC2 ZINC000894570660 1308959700 /nfs/dbraw/zinc/95/97/00/1308959700.db2.gz DPUUWSROJAAKOS-UHFFFAOYSA-N 1 2 330.197 3.049 10 10 EGCELO C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2ccccc2c1O ZINC000925790405 1325302693 /nfs/dbraw/zinc/30/26/93/1325302693.db2.gz FUTWLFZHNZOGKZ-NVXWUHKLSA-N 1 2 340.467 3.355 10 10 EGCELO CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1O ZINC000527958845 312984161 /nfs/dbraw/zinc/98/41/61/312984161.db2.gz XAZHKCPJCKLCDH-MJBXVCDLSA-N 1 2 334.243 3.280 10 10 EGCELO Cc1nnc([C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc2)[nH]1 ZINC000190942015 455411162 /nfs/dbraw/zinc/41/11/62/455411162.db2.gz RTEQPAJWCUARQI-INIZCTEOSA-N 1 2 346.793 3.490 10 10 EGCELO Cc1nc(C2([NH2+]Cc3cc(Cl)c(F)cc3O)CCCC2)no1 ZINC000293783677 455796912 /nfs/dbraw/zinc/79/69/12/455796912.db2.gz BFLCRFDIXKURNM-UHFFFAOYSA-N 1 2 325.771 3.435 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000294795515 455828573 /nfs/dbraw/zinc/82/85/73/455828573.db2.gz VOKDXSNKTAVBTG-OQPBUACISA-N 1 2 341.732 3.320 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000294795515 455828576 /nfs/dbraw/zinc/82/85/76/455828576.db2.gz VOKDXSNKTAVBTG-OQPBUACISA-N 1 2 341.732 3.320 10 10 EGCELO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(F)c1O ZINC000187755548 455948327 /nfs/dbraw/zinc/94/83/27/455948327.db2.gz VCXUVHSGGQOXRZ-GHMZBOCLSA-N 1 2 337.345 3.134 10 10 EGCELO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1O ZINC000287583006 456072742 /nfs/dbraw/zinc/07/27/42/456072742.db2.gz HMZDMFWAWCKEAP-ZWNOBZJWSA-N 1 2 331.243 3.361 10 10 EGCELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000375261792 457854745 /nfs/dbraw/zinc/85/47/45/457854745.db2.gz IGEJCTZBQKWXGH-INIZCTEOSA-N 1 2 349.862 3.278 10 10 EGCELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000375261792 457854750 /nfs/dbraw/zinc/85/47/50/457854750.db2.gz IGEJCTZBQKWXGH-INIZCTEOSA-N 1 2 349.862 3.278 10 10 EGCELO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2O)CN1 ZINC000367542803 457963489 /nfs/dbraw/zinc/96/34/89/457963489.db2.gz SQQRMJHFTZDEAO-HZMBPMFUSA-N 1 2 343.254 3.190 10 10 EGCELO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2O)CN1 ZINC000367542803 457963494 /nfs/dbraw/zinc/96/34/94/457963494.db2.gz SQQRMJHFTZDEAO-HZMBPMFUSA-N 1 2 343.254 3.190 10 10 EGCELO COc1ccc(N2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000728912309 574786090 /nfs/dbraw/zinc/78/60/90/574786090.db2.gz FMWKURIUKHCSEF-UHFFFAOYSA-N 1 2 345.374 3.065 10 10 EGCELO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000742557707 576789830 /nfs/dbraw/zinc/78/98/30/576789830.db2.gz GKZIQVVALZWKLJ-UHFFFAOYSA-N 1 2 339.435 3.446 10 10 EGCELO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000742557707 576789831 /nfs/dbraw/zinc/78/98/31/576789831.db2.gz GKZIQVVALZWKLJ-UHFFFAOYSA-N 1 2 339.435 3.446 10 10 EGCELO C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000926963139 1327800864 /nfs/dbraw/zinc/80/08/64/1327800864.db2.gz MMPMBUNRUZBFMA-PRHODGIISA-N 1 2 326.309 3.204 10 10 EGCELO CN1c2ccccc2C[N@H+](Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001329108786 1388973673 /nfs/dbraw/zinc/97/36/73/1388973673.db2.gz ZYQPGRLCKKGMSS-UHFFFAOYSA-N 1 2 335.451 3.265 10 10 EGCELO CN1c2ccccc2C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001329108786 1388973679 /nfs/dbraw/zinc/97/36/79/1388973679.db2.gz ZYQPGRLCKKGMSS-UHFFFAOYSA-N 1 2 335.451 3.265 10 10 EGCELO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)c(F)c1O ZINC000187766639 455950268 /nfs/dbraw/zinc/95/02/68/455950268.db2.gz MHWMIRFNCQBPHM-GWCFXTLKSA-N 1 2 332.350 3.447 10 10 EGCELO COc1ccc([NH+]2CCC(Nc3nccnc3OC(C)C)CC2)cc1 ZINC000302051530 456276538 /nfs/dbraw/zinc/27/65/38/456276538.db2.gz XPQHOORYEXMRFK-UHFFFAOYSA-N 1 2 342.443 3.353 10 10 EGCELO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1O ZINC000367547751 457962414 /nfs/dbraw/zinc/96/24/14/457962414.db2.gz ACEHNXOPEAVWRP-GUYCJALGSA-N 1 2 348.878 3.489 10 10 EGCELO COc1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2O)cn1 ZINC000527792576 459738068 /nfs/dbraw/zinc/73/80/68/459738068.db2.gz CLWQLVPGBHZXDG-UHFFFAOYSA-N 1 2 327.211 3.435 10 10 EGCELO CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1O ZINC000527951709 459780597 /nfs/dbraw/zinc/78/05/97/459780597.db2.gz DGHWHHORLMMOAD-RWMBFGLXSA-N 1 2 334.243 3.280 10 10 EGCELO C[NH2+]C[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708100791 1298234869 /nfs/dbraw/zinc/23/48/69/1298234869.db2.gz VUCOPIKJWSHNGJ-SNVBAGLBSA-N 1 2 347.684 3.240 10 10 EGCELO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC000092973995 1292904094 /nfs/dbraw/zinc/90/40/94/1292904094.db2.gz HXPGFPIQUCAMFZ-SFHVURJKSA-N 1 2 335.350 3.253 10 10 EGCELO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC000092973995 1292904103 /nfs/dbraw/zinc/90/41/03/1292904103.db2.gz HXPGFPIQUCAMFZ-SFHVURJKSA-N 1 2 335.350 3.253 10 10 EGCELO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724841998 1298350733 /nfs/dbraw/zinc/35/07/33/1298350733.db2.gz JLGGGHNAZUWRJQ-NOZJJQNGSA-N 1 2 346.652 3.419 10 10 EGCELO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724841998 1298350741 /nfs/dbraw/zinc/35/07/41/1298350741.db2.gz JLGGGHNAZUWRJQ-NOZJJQNGSA-N 1 2 346.652 3.419 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000895260363 1309262327 /nfs/dbraw/zinc/26/23/27/1309262327.db2.gz QITRKKBFZJQYCJ-OAHLLOKOSA-N 1 2 344.224 3.031 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000895260363 1309262333 /nfs/dbraw/zinc/26/23/33/1309262333.db2.gz QITRKKBFZJQYCJ-OAHLLOKOSA-N 1 2 344.224 3.031 10 10 EGCELO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)n1-c1cccc(C)c1 ZINC000857990428 1328650755 /nfs/dbraw/zinc/65/07/55/1328650755.db2.gz UHRYGWOWNSNPEQ-GOSISDBHSA-N 1 2 334.423 3.474 10 10 EGCELO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000858592933 1328804306 /nfs/dbraw/zinc/80/43/06/1328804306.db2.gz OXZCXLPMDAYKEU-ATZCPNFKSA-N 1 2 332.213 3.369 10 10 EGCELO CC[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000925790994 1325302797 /nfs/dbraw/zinc/30/27/97/1325302797.db2.gz JWXZBXCYTINSCV-HOCLYGCPSA-N 1 2 338.879 3.245 10 10 EGCELO C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000926963143 1327800338 /nfs/dbraw/zinc/80/03/38/1327800338.db2.gz MMPMBUNRUZBFMA-UFBFGSQYSA-N 1 2 326.309 3.204 10 10 EGCELO Cc1cn(C(C)(C)C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c[nH+]1 ZINC001136025726 1377302896 /nfs/dbraw/zinc/30/28/96/1377302896.db2.gz WOZCLPFWUDDATE-UHFFFAOYSA-N 1 2 340.471 3.185 10 10 EGCELO CCCN(CC[NH+]1CCCCC1)Cc1cc(F)cc(C(C)=O)c1O ZINC001170173532 1384255342 /nfs/dbraw/zinc/25/53/42/1384255342.db2.gz SHRCCNPYEMLJNZ-UHFFFAOYSA-N 1 2 336.451 3.432 10 10 EGCELO CCC[N@H+](CCN1CCCCC1)Cc1cc(F)cc(C(C)=O)c1O ZINC001170173532 1384255343 /nfs/dbraw/zinc/25/53/43/1384255343.db2.gz SHRCCNPYEMLJNZ-UHFFFAOYSA-N 1 2 336.451 3.432 10 10 EGCELO CCC[N@@H+](CCN1CCCCC1)Cc1cc(F)cc(C(C)=O)c1O ZINC001170173532 1384255345 /nfs/dbraw/zinc/25/53/45/1384255345.db2.gz SHRCCNPYEMLJNZ-UHFFFAOYSA-N 1 2 336.451 3.432 10 10 EGCELO CCOc1ccc(N2CC[NH+]([C@H](C)c3snnc3C)CC2)cc1 ZINC001333871078 1390425638 /nfs/dbraw/zinc/42/56/38/1390425638.db2.gz JGVFNRBLELKGKI-CQSZACIVSA-N 1 2 332.473 3.128 10 10 EGCELO CCOc1ccc(N2CC[NH+]([C@@H](C)c3snnc3C)CC2)cc1 ZINC001333871077 1390425767 /nfs/dbraw/zinc/42/57/67/1390425767.db2.gz JGVFNRBLELKGKI-AWEZNQCLSA-N 1 2 332.473 3.128 10 10 EGCELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000190143186 455282993 /nfs/dbraw/zinc/28/29/93/455282993.db2.gz ABCWEJTWYVZERN-ZIAGYGMSSA-N 1 2 337.807 3.007 10 10 EGCELO COc1ccc(N2CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)cc1 ZINC000058179138 454168727 /nfs/dbraw/zinc/16/87/27/454168727.db2.gz HSWAFJODHDXJIF-CQSZACIVSA-N 1 2 330.432 3.085 10 10 EGCELO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)N1CCOCC1 ZINC000184936033 455475814 /nfs/dbraw/zinc/47/58/14/455475814.db2.gz CJKUIGGBEGBSOP-MNOVXSKESA-N 1 2 333.259 3.070 10 10 EGCELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(Cl)c(Cl)cc1O ZINC000192939633 455722859 /nfs/dbraw/zinc/72/28/59/455722859.db2.gz YPFGHTPHACKRTN-PELKAZGASA-N 1 2 327.215 3.476 10 10 EGCELO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)no1 ZINC000290092004 456238043 /nfs/dbraw/zinc/23/80/43/456238043.db2.gz HLYUHCSNFAILJR-NXEZZACHSA-N 1 2 325.796 3.377 10 10 EGCELO CCOCc1nc([C@@H](C)[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)no1 ZINC000290131360 456248164 /nfs/dbraw/zinc/24/81/64/456248164.db2.gz JZGPWPOMTKSSOR-CJNGLKHVSA-N 1 2 332.448 3.474 10 10 EGCELO C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366808221 457901113 /nfs/dbraw/zinc/90/11/13/457901113.db2.gz IPXYHXSOCFMIOQ-PSTGCABASA-N 1 2 343.826 3.343 10 10 EGCELO C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366808221 457901119 /nfs/dbraw/zinc/90/11/19/457901119.db2.gz IPXYHXSOCFMIOQ-PSTGCABASA-N 1 2 343.826 3.343 10 10 EGCELO CCOc1ccc(O)c(CN2CC[NH+](Cc3cccs3)CC2)c1 ZINC000119905463 1293293314 /nfs/dbraw/zinc/29/33/14/1293293314.db2.gz CFZTXABJGQDDND-UHFFFAOYSA-N 1 2 332.469 3.170 10 10 EGCELO O=C(C[NH+]1CCC(O)CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254497632 1296473169 /nfs/dbraw/zinc/47/31/69/1296473169.db2.gz LPHGOHMFSQKHIA-UHFFFAOYSA-N 1 2 338.411 3.497 10 10 EGCELO CCN(CC)c1ccc(C[N@H+](C)Cc2noc3c2COCC3)cc1 ZINC000929183834 1328529891 /nfs/dbraw/zinc/52/98/91/1328529891.db2.gz FTFPZJUZNBYVDC-UHFFFAOYSA-N 1 2 329.444 3.226 10 10 EGCELO CCN(CC)c1ccc(C[N@@H+](C)Cc2noc3c2COCC3)cc1 ZINC000929183834 1328529892 /nfs/dbraw/zinc/52/98/92/1328529892.db2.gz FTFPZJUZNBYVDC-UHFFFAOYSA-N 1 2 329.444 3.226 10 10 EGCELO Oc1cccc(F)c1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC001187676840 1388140855 /nfs/dbraw/zinc/14/08/55/1388140855.db2.gz GMJXUFHMPHCAER-UHFFFAOYSA-N 1 2 335.342 3.272 10 10 EGCELO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1O ZINC000530218309 458722198 /nfs/dbraw/zinc/72/21/98/458722198.db2.gz VWSNLHJPDSURCU-RNCFNFMXSA-N 1 2 343.240 3.229 10 10 EGCELO Cc1occc1C(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180027287 455118799 /nfs/dbraw/zinc/11/87/99/455118799.db2.gz DUQRIRLUOJPVNZ-UHFFFAOYSA-N 1 2 348.830 3.341 10 10 EGCELO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000185324463 455540068 /nfs/dbraw/zinc/54/00/68/455540068.db2.gz WYNRMQVZSBUJLS-KZULUSFZSA-N 1 2 338.411 3.268 10 10 EGCELO Cn1cc(C[N@H+](C)Cc2c(O)cccc2Cl)c(C(F)(F)F)n1 ZINC000271422461 455631044 /nfs/dbraw/zinc/63/10/44/455631044.db2.gz ZSKOZKPDCIGVFA-UHFFFAOYSA-N 1 2 333.741 3.430 10 10 EGCELO Cn1cc(C[N@@H+](C)Cc2c(O)cccc2Cl)c(C(F)(F)F)n1 ZINC000271422461 455631048 /nfs/dbraw/zinc/63/10/48/455631048.db2.gz ZSKOZKPDCIGVFA-UHFFFAOYSA-N 1 2 333.741 3.430 10 10 EGCELO Oc1ccccc1C[N@@H+](Cc1ncc(C2CC2)o1)C[C@H]1CCCO1 ZINC000270478601 455964412 /nfs/dbraw/zinc/96/44/12/455964412.db2.gz DFTLYFYEAXXQSF-MRXNPFEDSA-N 1 2 328.412 3.439 10 10 EGCELO Oc1ccccc1C[N@H+](Cc1ncc(C2CC2)o1)C[C@H]1CCCO1 ZINC000270478601 455964417 /nfs/dbraw/zinc/96/44/17/455964417.db2.gz DFTLYFYEAXXQSF-MRXNPFEDSA-N 1 2 328.412 3.439 10 10 EGCELO C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1[O-] ZINC000530218309 458722191 /nfs/dbraw/zinc/72/21/91/458722191.db2.gz VWSNLHJPDSURCU-RNCFNFMXSA-N 1 2 343.240 3.229 10 10 EGCELO Oc1c(Br)cc(Cl)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000708139173 1298235145 /nfs/dbraw/zinc/23/51/45/1298235145.db2.gz FWHSJOARLJDUJV-GFCCVEGCSA-N 1 2 345.668 3.088 10 10 EGCELO Oc1c(Br)cc(Cl)cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000708139173 1298235157 /nfs/dbraw/zinc/23/51/57/1298235157.db2.gz FWHSJOARLJDUJV-GFCCVEGCSA-N 1 2 345.668 3.088 10 10 EGCELO COC(=O)c1c(C[NH2+]Cc2csc(C)n2)c2cc(F)ccc2n1C ZINC000894164119 1306256260 /nfs/dbraw/zinc/25/62/60/1306256260.db2.gz CWLCBOZMVCKBBU-UHFFFAOYSA-N 1 2 347.415 3.159 10 10 EGCELO CCCC[N@H+](Cc1ncc(C(=O)OC)s1)Cc1ccccc1O ZINC000894679569 1309018281 /nfs/dbraw/zinc/01/82/81/1309018281.db2.gz SSAXPSPHZFMXBO-UHFFFAOYSA-N 1 2 334.441 3.438 10 10 EGCELO CCCC[N@@H+](Cc1ncc(C(=O)OC)s1)Cc1ccccc1O ZINC000894679569 1309018292 /nfs/dbraw/zinc/01/82/92/1309018292.db2.gz SSAXPSPHZFMXBO-UHFFFAOYSA-N 1 2 334.441 3.438 10 10 EGCELO COc1c(O)c(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)ccc1[N+](=O)[O-] ZINC000895690694 1309467031 /nfs/dbraw/zinc/46/70/31/1309467031.db2.gz KKBRKQVPLVLFJC-HOCLYGCPSA-N 1 2 346.358 3.424 10 10 EGCELO Oc1cccc(Br)c1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858286184 1328729610 /nfs/dbraw/zinc/72/96/10/1328729610.db2.gz UIDXHHVTIPYLCL-CYBMUJFWSA-N 1 2 339.277 3.261 10 10 EGCELO Oc1cccc(Br)c1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000858286184 1328729612 /nfs/dbraw/zinc/72/96/12/1328729612.db2.gz UIDXHHVTIPYLCL-CYBMUJFWSA-N 1 2 339.277 3.261 10 10 EGCELO CC(C)c1nsc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000930209461 1328812590 /nfs/dbraw/zinc/81/25/90/1328812590.db2.gz DOSDZIDIEROLJS-CQSZACIVSA-N 1 2 346.500 3.349 10 10 EGCELO CC[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(Cl)c1O ZINC000926956720 1327796499 /nfs/dbraw/zinc/79/64/99/1327796499.db2.gz ZCRWXXNMKZNPHF-ZDUSSCGKSA-N 1 2 333.881 3.157 10 10 EGCELO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C2(CCC2)CO1 ZINC000862403918 1329483525 /nfs/dbraw/zinc/48/35/25/1329483525.db2.gz XVAKKXVMCDBOAD-LLVKDONJSA-N 1 2 326.234 3.298 10 10 EGCELO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C2(CCC2)CO1 ZINC000862403918 1329483524 /nfs/dbraw/zinc/48/35/24/1329483524.db2.gz XVAKKXVMCDBOAD-LLVKDONJSA-N 1 2 326.234 3.298 10 10 EGCELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000248800841 455731462 /nfs/dbraw/zinc/73/14/62/455731462.db2.gz ABCWEJTWYVZERN-KBPBESRZSA-N 1 2 337.807 3.007 10 10 EGCELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000248800841 455731467 /nfs/dbraw/zinc/73/14/67/455731467.db2.gz ABCWEJTWYVZERN-KBPBESRZSA-N 1 2 337.807 3.007 10 10 EGCELO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cc([N+](=O)[O-])ccc1O ZINC000273354346 456225804 /nfs/dbraw/zinc/22/58/04/456225804.db2.gz CGNWBIXVBMPKRJ-GFCCVEGCSA-N 1 2 328.372 3.469 10 10 EGCELO COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000738920605 576369303 /nfs/dbraw/zinc/36/93/03/576369303.db2.gz SPHWJDXZFBUKGU-LBPRGKRZSA-N 1 2 340.383 3.240 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000715738573 1298285959 /nfs/dbraw/zinc/28/59/59/1298285959.db2.gz VPMHCDVPELDHIQ-CQSZACIVSA-N 1 2 330.197 3.049 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000715738573 1298285967 /nfs/dbraw/zinc/28/59/67/1298285967.db2.gz VPMHCDVPELDHIQ-CQSZACIVSA-N 1 2 330.197 3.049 10 10 EGCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000895536113 1309388566 /nfs/dbraw/zinc/38/85/66/1309388566.db2.gz HGOUVCCFRRVJNZ-CQSZACIVSA-N 1 2 343.826 3.250 10 10 EGCELO C[C@H]1CCC[C@@](CO)([NH2+]Cc2cccc(Br)c2O)C1 ZINC000053117558 214164786 /nfs/dbraw/zinc/16/47/86/214164786.db2.gz RJSRXXDVRLGEKH-XHDPSFHLSA-N 1 2 328.250 3.186 10 10 EGCELO Cn1cc([C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3O)C2)cn1 ZINC000128459337 455058681 /nfs/dbraw/zinc/05/86/81/455058681.db2.gz XIBLUMFHBDATDS-JTQLQIEISA-N 1 2 326.227 3.422 10 10 EGCELO Cn1cc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3O)C2)cn1 ZINC000128459337 455058686 /nfs/dbraw/zinc/05/86/86/455058686.db2.gz XIBLUMFHBDATDS-JTQLQIEISA-N 1 2 326.227 3.422 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000157544621 455205926 /nfs/dbraw/zinc/20/59/26/455205926.db2.gz KSEVJXONZZSASU-OAHLLOKOSA-N 1 2 335.400 3.369 10 10 EGCELO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1noc(C3CC3)n1)OCO2 ZINC000362367810 458129875 /nfs/dbraw/zinc/12/98/75/458129875.db2.gz AWQNCQBHKWQQRN-CYBMUJFWSA-N 1 2 343.383 3.109 10 10 EGCELO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1noc(C3CC3)n1)OCO2 ZINC000362367810 458129883 /nfs/dbraw/zinc/12/98/83/458129883.db2.gz AWQNCQBHKWQQRN-CYBMUJFWSA-N 1 2 343.383 3.109 10 10 EGCELO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000377671224 458508819 /nfs/dbraw/zinc/50/88/19/458508819.db2.gz GIUHCPUWWJFVNO-AWEZNQCLSA-N 1 2 336.819 3.442 10 10 EGCELO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000377671224 458508825 /nfs/dbraw/zinc/50/88/25/458508825.db2.gz GIUHCPUWWJFVNO-AWEZNQCLSA-N 1 2 336.819 3.442 10 10 EGCELO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527807143 459742920 /nfs/dbraw/zinc/74/29/20/459742920.db2.gz MUBNSNCMGBKHPY-AWEZNQCLSA-N 1 2 339.277 3.261 10 10 EGCELO C[C@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC000895275745 1309266654 /nfs/dbraw/zinc/26/66/54/1309266654.db2.gz OXRCCEBSYNDHST-HZMBPMFUSA-N 1 2 346.652 3.276 10 10 EGCELO C[C@]12COC[C@@H]1C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC000895275745 1309266657 /nfs/dbraw/zinc/26/66/57/1309266657.db2.gz OXRCCEBSYNDHST-HZMBPMFUSA-N 1 2 346.652 3.276 10 10 EGCELO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000895476855 1309358181 /nfs/dbraw/zinc/35/81/81/1309358181.db2.gz BZNYJOMTDHUCPM-JTQLQIEISA-N 1 2 348.668 3.401 10 10 EGCELO CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000895476855 1309358184 /nfs/dbraw/zinc/35/81/84/1309358184.db2.gz BZNYJOMTDHUCPM-JTQLQIEISA-N 1 2 348.668 3.401 10 10 EGCELO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)n1-c1cccc(C)c1 ZINC000857990429 1328651063 /nfs/dbraw/zinc/65/10/63/1328651063.db2.gz UHRYGWOWNSNPEQ-SFHVURJKSA-N 1 2 334.423 3.474 10 10 EGCELO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1cccc(Cl)c1O ZINC000858590401 1328802330 /nfs/dbraw/zinc/80/23/30/1328802330.db2.gz WFQPKWLRYGTBQV-GUTXKFCHSA-N 1 2 337.807 3.308 10 10 EGCELO COc1ccc([NH+]2CCC(NC(=O)Cc3ccc(C)s3)CC2)cc1 ZINC000065530802 454585031 /nfs/dbraw/zinc/58/50/31/454585031.db2.gz AWLQYJGAGJANDN-UHFFFAOYSA-N 1 2 344.480 3.393 10 10 EGCELO CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175653147 455477503 /nfs/dbraw/zinc/47/75/03/455477503.db2.gz AOPUMNUKXKRPRP-INIZCTEOSA-N 1 2 345.418 3.330 10 10 EGCELO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175653147 455477509 /nfs/dbraw/zinc/47/75/09/455477509.db2.gz AOPUMNUKXKRPRP-INIZCTEOSA-N 1 2 345.418 3.330 10 10 EGCELO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187777278 455950954 /nfs/dbraw/zinc/95/09/54/455950954.db2.gz RSAPOZOUMYZCAR-WDEREUQCSA-N 1 2 336.386 3.051 10 10 EGCELO C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366808223 457901661 /nfs/dbraw/zinc/90/16/61/457901661.db2.gz IPXYHXSOCFMIOQ-QFSBIZTOSA-N 1 2 343.826 3.343 10 10 EGCELO C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366808223 457901666 /nfs/dbraw/zinc/90/16/66/457901666.db2.gz IPXYHXSOCFMIOQ-QFSBIZTOSA-N 1 2 343.826 3.343 10 10 EGCELO COc1cc(N(C)Cc2c[nH+]c3c(C)cccn23)cc(OC)c1OC ZINC000180758213 1294913376 /nfs/dbraw/zinc/91/33/76/1294913376.db2.gz FPZGVDPWOPPRCZ-UHFFFAOYSA-N 1 2 341.411 3.305 10 10 EGCELO C[NH+](C)C1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708140963 1298238342 /nfs/dbraw/zinc/23/83/42/1298238342.db2.gz PWBZPNYCBCPNRQ-UHFFFAOYSA-N 1 2 347.684 3.334 10 10 EGCELO Oc1c(F)cc(F)cc1C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000895454035 1309345700 /nfs/dbraw/zinc/34/57/00/1309345700.db2.gz HMUQRPOHYZCOQH-OAHLLOKOSA-N 1 2 331.366 3.050 10 10 EGCELO Cc1cc(CC(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)n1-c1ccccc1 ZINC000857976141 1328645420 /nfs/dbraw/zinc/64/54/20/1328645420.db2.gz YHAJLLCCKZQIJZ-GOSISDBHSA-N 1 2 334.423 3.094 10 10 EGCELO CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000863542016 1329562040 /nfs/dbraw/zinc/56/20/40/1329562040.db2.gz DGIHAHIJCXHNDT-AQUOVQTQSA-N 1 2 331.229 3.085 10 10 EGCELO CC[C@@H]([NH2+][C@H](C)Cn1cncn1)c1cc(Cl)cc(Cl)c1O ZINC000287585742 456071846 /nfs/dbraw/zinc/07/18/46/456071846.db2.gz HRENQMNSSYXXOI-NOZJJQNGSA-N 1 2 329.231 3.420 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1O ZINC000177091807 454821061 /nfs/dbraw/zinc/82/10/61/454821061.db2.gz IXXHTSDRCBHUIY-UHFFFAOYSA-N 1 2 333.819 3.351 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1O ZINC000177091807 454821066 /nfs/dbraw/zinc/82/10/66/454821066.db2.gz IXXHTSDRCBHUIY-UHFFFAOYSA-N 1 2 333.819 3.351 10 10 EGCELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(Cl)c(Cl)cc1O ZINC000192939592 455723400 /nfs/dbraw/zinc/72/34/00/455723400.db2.gz YPFGHTPHACKRTN-QPUJVOFHSA-N 1 2 327.215 3.476 10 10 EGCELO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)CC)cc2)no1 ZINC000289585049 456131026 /nfs/dbraw/zinc/13/10/26/456131026.db2.gz AQZYSTAJZBQGJN-KGLIPLIRSA-N 1 2 332.448 3.474 10 10 EGCELO CCOc1ccc(O)c(C[N@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000271138992 456138618 /nfs/dbraw/zinc/13/86/18/456138618.db2.gz BOWDJOMPFFYZMP-UHFFFAOYSA-N 1 2 343.349 3.182 10 10 EGCELO CCOc1ccc(O)c(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000271138992 456138622 /nfs/dbraw/zinc/13/86/22/456138622.db2.gz BOWDJOMPFFYZMP-UHFFFAOYSA-N 1 2 343.349 3.182 10 10 EGCELO O=C([C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1)N1CCCCC1 ZINC000373850451 458625947 /nfs/dbraw/zinc/62/59/47/458625947.db2.gz SKUAKUKFGGZECX-HIFRSBDPSA-N 1 2 336.863 3.316 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000738441190 576326807 /nfs/dbraw/zinc/32/68/07/576326807.db2.gz WTPMAVZSVCGODW-UHFFFAOYSA-N 1 2 338.234 3.319 10 10 EGCELO COc1cc(Br)cc(C[N@H+](C)Cc2cc(C)on2)c1O ZINC000092254142 1292858097 /nfs/dbraw/zinc/85/80/97/1292858097.db2.gz DCOITGXIVUJJSW-UHFFFAOYSA-N 1 2 341.205 3.092 10 10 EGCELO COc1cc(Br)cc(C[N@@H+](C)Cc2cc(C)on2)c1O ZINC000092254142 1292858110 /nfs/dbraw/zinc/85/81/10/1292858110.db2.gz DCOITGXIVUJJSW-UHFFFAOYSA-N 1 2 341.205 3.092 10 10 EGCELO COc1ccc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)cc1 ZINC000326717861 1297239644 /nfs/dbraw/zinc/23/96/44/1297239644.db2.gz BSUVXNOHJWJOOW-UHFFFAOYSA-N 1 2 325.387 3.028 10 10 EGCELO C[C@@H](O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000893995594 1306169311 /nfs/dbraw/zinc/16/93/11/1306169311.db2.gz XCHADAPWFKLALO-SECBINFHSA-N 1 2 348.668 3.401 10 10 EGCELO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)n1-c1ccccc1C ZINC000857988273 1328650196 /nfs/dbraw/zinc/65/01/96/1328650196.db2.gz HNVKRGULMCDKGY-QGZVFWFLSA-N 1 2 334.423 3.474 10 10 EGCELO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)n1-c1ccc(F)cc1 ZINC000857990762 1328651254 /nfs/dbraw/zinc/65/12/54/1328651254.db2.gz XSNWXUGNVDBZCN-KRWDZBQOSA-N 1 2 338.386 3.305 10 10 EGCELO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000858592547 1328804150 /nfs/dbraw/zinc/80/41/50/1328804150.db2.gz FUIXIDMPQFSHJZ-BBBLOLIVSA-N 1 2 332.213 3.369 10 10 EGCELO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000862529160 1329492726 /nfs/dbraw/zinc/49/27/26/1329492726.db2.gz CAMDKQAMPCKAIR-GFCCVEGCSA-N 1 2 332.213 3.024 10 10 EGCELO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@H](CCF)C2)c1 ZINC000862529160 1329492728 /nfs/dbraw/zinc/49/27/28/1329492728.db2.gz CAMDKQAMPCKAIR-GFCCVEGCSA-N 1 2 332.213 3.024 10 10 EGCELO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1=CC(=O)CS1 ZINC001301104120 1383696111 /nfs/dbraw/zinc/69/61/11/1383696111.db2.gz DFWYIUIZGKNWQP-QGZVFWFLSA-N 1 2 344.480 3.436 10 10 EGCELO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1=CC(=O)CS1 ZINC001301104120 1383696113 /nfs/dbraw/zinc/69/61/13/1383696113.db2.gz DFWYIUIZGKNWQP-QGZVFWFLSA-N 1 2 344.480 3.436 10 10 EGCELO OC1(c2ccc(F)cc2)C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001330639417 1389479868 /nfs/dbraw/zinc/47/98/68/1389479868.db2.gz QBZZOHLLTJVIOQ-UHFFFAOYSA-N 1 2 326.415 3.129 10 10 EGCELO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1O ZINC000156504914 455125809 /nfs/dbraw/zinc/12/58/09/455125809.db2.gz BTHSFEFFSHAGSD-CABZTGNLSA-N 1 2 341.242 3.346 10 10 EGCELO Oc1ccccc1CN(C[C@@H]1CCCO1)c1cc[nH+]c(C2CC2)n1 ZINC000271409907 455626718 /nfs/dbraw/zinc/62/67/18/455626718.db2.gz KAWDLTRUQWKRLQ-INIZCTEOSA-N 1 2 325.412 3.245 10 10 EGCELO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(F)c1O ZINC000187755568 455948454 /nfs/dbraw/zinc/94/84/54/455948454.db2.gz VCXUVHSGGQOXRZ-QWRGUYRKSA-N 1 2 337.345 3.134 10 10 EGCELO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(F)c(F)c1O ZINC000187766620 455949638 /nfs/dbraw/zinc/94/96/38/455949638.db2.gz MHWMIRFNCQBPHM-ZWNOBZJWSA-N 1 2 332.350 3.447 10 10 EGCELO COc1ccc(N2CC[NH+](Cc3ncc(C4CC4)o3)CC2)cc1F ZINC000270675609 456012617 /nfs/dbraw/zinc/01/26/17/456012617.db2.gz XXISFIUJWZZGFH-UHFFFAOYSA-N 1 2 331.391 3.022 10 10 EGCELO Cn1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccc(F)cc2)n1 ZINC000374520147 457647984 /nfs/dbraw/zinc/64/79/84/457647984.db2.gz IHPSSYJTTQWXMB-HXUWFJFHSA-N 1 2 337.398 3.373 10 10 EGCELO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724842002 1298350916 /nfs/dbraw/zinc/35/09/16/1298350916.db2.gz JLGGGHNAZUWRJQ-ZANVPECISA-N 1 2 346.652 3.419 10 10 EGCELO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724842002 1298350928 /nfs/dbraw/zinc/35/09/28/1298350928.db2.gz JLGGGHNAZUWRJQ-ZANVPECISA-N 1 2 346.652 3.419 10 10 EGCELO COC(=O)c1c(C[NH2+]Cc2nc(C)cs2)c2cc(F)ccc2n1C ZINC000894165488 1306256729 /nfs/dbraw/zinc/25/67/29/1306256729.db2.gz LLTGAZGDGLZBCJ-UHFFFAOYSA-N 1 2 347.415 3.159 10 10 EGCELO COC(=O)CCCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000894760703 1309055738 /nfs/dbraw/zinc/05/57/38/1309055738.db2.gz JLNFBULRNJDFRL-UHFFFAOYSA-N 1 2 348.212 3.117 10 10 EGCELO Oc1cccc(Br)c1C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895069141 1309177599 /nfs/dbraw/zinc/17/75/99/1309177599.db2.gz RSQNOLQDXSYSCF-UHFFFAOYSA-N 1 2 348.244 3.315 10 10 EGCELO Oc1cccc(Br)c1C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895069141 1309177605 /nfs/dbraw/zinc/17/76/05/1309177605.db2.gz RSQNOLQDXSYSCF-UHFFFAOYSA-N 1 2 348.244 3.315 10 10 EGCELO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000895577048 1309410170 /nfs/dbraw/zinc/41/01/70/1309410170.db2.gz GFEOKKIVQAYDRU-LBPRGKRZSA-N 1 2 327.705 3.338 10 10 EGCELO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000895577048 1309410171 /nfs/dbraw/zinc/41/01/71/1309410171.db2.gz GFEOKKIVQAYDRU-LBPRGKRZSA-N 1 2 327.705 3.338 10 10 EGCELO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857988030 1328649365 /nfs/dbraw/zinc/64/93/65/1328649365.db2.gz ARPCYFGQWQMNHD-KRWDZBQOSA-N 1 2 334.423 3.474 10 10 EGCELO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC001124100160 1372672417 /nfs/dbraw/zinc/67/24/17/1372672417.db2.gz VPBAUPHQWPFUNT-ZDUSSCGKSA-N 1 2 343.427 3.069 10 10 EGCELO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1OC ZINC000160396024 455454099 /nfs/dbraw/zinc/45/40/99/455454099.db2.gz BCRMNOSPFMRBFB-QGZVFWFLSA-N 1 2 335.425 3.044 10 10 EGCELO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1OC ZINC000160396024 455454101 /nfs/dbraw/zinc/45/41/01/455454101.db2.gz BCRMNOSPFMRBFB-QGZVFWFLSA-N 1 2 335.425 3.044 10 10 EGCELO CCOCc1nc([C@@H](C)[NH2+][C@H](CC)c2ccc(N(C)C)cc2)no1 ZINC000290131361 456248032 /nfs/dbraw/zinc/24/80/32/456248032.db2.gz JZGPWPOMTKSSOR-CZUORRHYSA-N 1 2 332.448 3.474 10 10 EGCELO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1[O-] ZINC000371336196 457872916 /nfs/dbraw/zinc/87/29/16/457872916.db2.gz OAAMPOXKOJUGNR-UHFFFAOYSA-N 1 2 336.779 3.057 10 10 EGCELO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1[O-] ZINC000371336196 457872921 /nfs/dbraw/zinc/87/29/21/457872921.db2.gz OAAMPOXKOJUGNR-UHFFFAOYSA-N 1 2 336.779 3.057 10 10 EGCELO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000376635784 458358194 /nfs/dbraw/zinc/35/81/94/458358194.db2.gz ZDBFWACDCJLXSA-BBRMVZONSA-N 1 2 346.254 3.469 10 10 EGCELO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000376635784 458358198 /nfs/dbraw/zinc/35/81/98/458358198.db2.gz ZDBFWACDCJLXSA-BBRMVZONSA-N 1 2 346.254 3.469 10 10 EGCELO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c(C)n1-c1ccccn1 ZINC000733969598 575419201 /nfs/dbraw/zinc/41/92/01/575419201.db2.gz NRQCOJKZNPLHTA-UHFFFAOYSA-N 1 2 331.379 3.389 10 10 EGCELO Cc1cc(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)n1-c1ccccc1 ZINC000873869440 1297710847 /nfs/dbraw/zinc/71/08/47/1297710847.db2.gz LMIYVUDVQXBCMN-RTBURBONSA-N 1 2 348.450 3.280 10 10 EGCELO Cc1cc(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(C)n1-c1ccccc1 ZINC000873869440 1297710855 /nfs/dbraw/zinc/71/08/55/1297710855.db2.gz LMIYVUDVQXBCMN-RTBURBONSA-N 1 2 348.450 3.280 10 10 EGCELO C[NH+](C)C[C@@H]1CCCN1Cc1cc(Cl)cc(Br)c1O ZINC000708141137 1298236720 /nfs/dbraw/zinc/23/67/20/1298236720.db2.gz QAJYCDSTDANVQP-LBPRGKRZSA-N 1 2 347.684 3.334 10 10 EGCELO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)n1-c1ccc(F)cc1 ZINC000857990763 1328650988 /nfs/dbraw/zinc/65/09/88/1328650988.db2.gz XSNWXUGNVDBZCN-QGZVFWFLSA-N 1 2 338.386 3.305 10 10 EGCELO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000863949291 1329590878 /nfs/dbraw/zinc/59/08/78/1329590878.db2.gz CTTVMLQWPDDFAX-HSTAZWAASA-N 1 2 349.478 3.247 10 10 EGCELO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000863949291 1329590880 /nfs/dbraw/zinc/59/08/80/1329590880.db2.gz CTTVMLQWPDDFAX-HSTAZWAASA-N 1 2 349.478 3.247 10 10 EGCELO CN(C)c1[nH+]ccc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc21 ZINC001298099774 1383357878 /nfs/dbraw/zinc/35/78/78/1383357878.db2.gz YYKBGQWFCSKXLV-XBXARRHUSA-N 1 2 349.390 3.364 10 10 EGCELO COC(=O)C[N@@H+](Cc1cc(C)cc(Br)c1O)CC(C)C ZINC001342092724 1390570433 /nfs/dbraw/zinc/57/04/33/1390570433.db2.gz JMBBFGRAJSSDCV-UHFFFAOYSA-N 1 2 344.249 3.094 10 10 EGCELO COC(=O)C[N@H+](Cc1cc(C)cc(Br)c1O)CC(C)C ZINC001342092724 1390570435 /nfs/dbraw/zinc/57/04/35/1390570435.db2.gz JMBBFGRAJSSDCV-UHFFFAOYSA-N 1 2 344.249 3.094 10 10 EGCELO C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1[O-] ZINC000530218306 458721400 /nfs/dbraw/zinc/72/14/00/458721400.db2.gz VWSNLHJPDSURCU-NOZJJQNGSA-N 1 2 343.240 3.229 10 10 EGCELO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1O ZINC000530218306 458721408 /nfs/dbraw/zinc/72/14/08/458721408.db2.gz VWSNLHJPDSURCU-NOZJJQNGSA-N 1 2 343.240 3.229 10 10 EGCELO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2noc(C(C)C)n2)cc1OC ZINC000160073240 455426541 /nfs/dbraw/zinc/42/65/41/455426541.db2.gz LLVYVPGNHXBIQC-ZDUSSCGKSA-N 1 2 347.415 3.253 10 10 EGCELO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2noc(C(C)C)n2)cc1OC ZINC000160073240 455426545 /nfs/dbraw/zinc/42/65/45/455426545.db2.gz LLVYVPGNHXBIQC-ZDUSSCGKSA-N 1 2 347.415 3.253 10 10 EGCELO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2O)CN1 ZINC000092105320 454524937 /nfs/dbraw/zinc/52/49/37/454524937.db2.gz SQQRMJHFTZDEAO-QMTHXVAHSA-N 1 2 343.254 3.190 10 10 EGCELO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2O)CN1 ZINC000092105320 454524940 /nfs/dbraw/zinc/52/49/40/454524940.db2.gz SQQRMJHFTZDEAO-QMTHXVAHSA-N 1 2 343.254 3.190 10 10 EGCELO COc1ccc(N2CC[NH+](Cc3cc(C(C)(C)C)on3)CC2)cc1 ZINC000283957231 455615666 /nfs/dbraw/zinc/61/56/66/455615666.db2.gz LJSPBHCLVMXKHJ-UHFFFAOYSA-N 1 2 329.444 3.303 10 10 EGCELO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)c(F)c1O ZINC000249033344 455741713 /nfs/dbraw/zinc/74/17/13/455741713.db2.gz BRWKPVDSEGDFRX-USBNGQNGSA-N 1 2 329.412 3.376 10 10 EGCELO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2noc(CC)n2)c1 ZINC000371403873 457912590 /nfs/dbraw/zinc/91/25/90/457912590.db2.gz DDESDGIHEKNIIE-OAHLLOKOSA-N 1 2 331.416 3.464 10 10 EGCELO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2noc(CC)n2)c1 ZINC000371403873 457912597 /nfs/dbraw/zinc/91/25/97/457912597.db2.gz DDESDGIHEKNIIE-OAHLLOKOSA-N 1 2 331.416 3.464 10 10 EGCELO COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(C)c(C)cc1O ZINC000731025383 575045487 /nfs/dbraw/zinc/04/54/87/575045487.db2.gz SPCKJMHZDOSDPW-UHFFFAOYSA-N 1 2 349.377 3.462 10 10 EGCELO COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(C)c(C)cc1O ZINC000731025383 575045490 /nfs/dbraw/zinc/04/54/90/575045490.db2.gz SPCKJMHZDOSDPW-UHFFFAOYSA-N 1 2 349.377 3.462 10 10 EGCELO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C3=CC(=O)CS3)c2)C[C@@H](C)O1 ZINC000738544247 576336007 /nfs/dbraw/zinc/33/60/07/576336007.db2.gz XUULIOAYMFCYNF-CHWSQXEVSA-N 1 2 346.452 3.315 10 10 EGCELO COc1cc(C[N@@H+]2CCO[C@@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000193438908 1295868441 /nfs/dbraw/zinc/86/84/41/1295868441.db2.gz ANRMOXZMHRGKCG-CQSZACIVSA-N 1 2 329.387 3.164 10 10 EGCELO COc1cc(C[N@H+]2CCO[C@@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000193438908 1295868453 /nfs/dbraw/zinc/86/84/53/1295868453.db2.gz ANRMOXZMHRGKCG-CQSZACIVSA-N 1 2 329.387 3.164 10 10 EGCELO CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)CC1 ZINC000874445638 1297892972 /nfs/dbraw/zinc/89/29/72/1297892972.db2.gz DRYSZEYMIZORNN-QZTJIDSGSA-N 1 2 338.455 3.066 10 10 EGCELO CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)CC1 ZINC000874445638 1297892988 /nfs/dbraw/zinc/89/29/88/1297892988.db2.gz DRYSZEYMIZORNN-QZTJIDSGSA-N 1 2 338.455 3.066 10 10 EGCELO Oc1c(Br)cc(Cl)cc1CN1CC[NH+]2CCC1CC2 ZINC000722814131 1298341601 /nfs/dbraw/zinc/34/16/01/1298341601.db2.gz GHZUGLWEYFDJFI-UHFFFAOYSA-N 1 2 345.668 3.088 10 10 EGCELO COc1cc(C)cc(C[N@H+](C)Cc2csc(C(C)(C)O)n2)c1O ZINC000894928272 1309128726 /nfs/dbraw/zinc/12/87/26/1309128726.db2.gz IMMNQRPHBXIIFS-UHFFFAOYSA-N 1 2 336.457 3.025 10 10 EGCELO COc1cc(C)cc(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)c1O ZINC000894928272 1309128729 /nfs/dbraw/zinc/12/87/29/1309128729.db2.gz IMMNQRPHBXIIFS-UHFFFAOYSA-N 1 2 336.457 3.025 10 10 EGCELO COc1cc(Cl)cc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)c1O ZINC000895068990 1309177397 /nfs/dbraw/zinc/17/73/97/1309177397.db2.gz OEICQNNUVSNOOI-UHFFFAOYSA-N 1 2 333.819 3.215 10 10 EGCELO COc1cc(Cl)cc(C[N@H+]2CCc3nc[nH]c3C23CCC3)c1O ZINC000895068990 1309177403 /nfs/dbraw/zinc/17/74/03/1309177403.db2.gz OEICQNNUVSNOOI-UHFFFAOYSA-N 1 2 333.819 3.215 10 10 EGCELO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)O2 ZINC000895819509 1309534977 /nfs/dbraw/zinc/53/49/77/1309534977.db2.gz AETDRRGXLXBQLA-CXUUEIJPSA-N 1 2 325.836 3.108 10 10 EGCELO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000857890485 1328616447 /nfs/dbraw/zinc/61/64/47/1328616447.db2.gz WMRKHPZHTXUVTH-QGZVFWFLSA-N 1 2 348.450 3.262 10 10 EGCELO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000862435790 1329486891 /nfs/dbraw/zinc/48/68/91/1329486891.db2.gz LEFZJALWOCLVLN-UHFFFAOYSA-N 1 2 337.704 3.227 10 10 EGCELO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000862529358 1329492618 /nfs/dbraw/zinc/49/26/18/1329492618.db2.gz CAMDKQAMPCKAIR-LBPRGKRZSA-N 1 2 332.213 3.024 10 10 EGCELO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@H](CCF)C2)c1 ZINC000862529358 1329492620 /nfs/dbraw/zinc/49/26/20/1329492620.db2.gz CAMDKQAMPCKAIR-LBPRGKRZSA-N 1 2 332.213 3.024 10 10 EGCELO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000863949293 1329591155 /nfs/dbraw/zinc/59/11/55/1329591155.db2.gz CTTVMLQWPDDFAX-PVHVJQTOSA-N 1 2 349.478 3.247 10 10 EGCELO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000863949293 1329591159 /nfs/dbraw/zinc/59/11/59/1329591159.db2.gz CTTVMLQWPDDFAX-PVHVJQTOSA-N 1 2 349.478 3.247 10 10 EGCELO F[C@H]1COc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000866240954 1330084282 /nfs/dbraw/zinc/08/42/82/1330084282.db2.gz RQTXSCVDWOYSJS-AZUAARDMSA-N 1 2 342.414 3.085 10 10 EGCELO COC1CCN(c2ccc(C[NH2+][C@H](C)c3csnn3)cc2)CC1 ZINC001195241404 1368406455 /nfs/dbraw/zinc/40/64/55/1368406455.db2.gz AXKWTKZYJGHNTI-CYBMUJFWSA-N 1 2 332.473 3.004 10 10 EGCELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(Cl)c(Cl)c1O ZINC000185663435 455592063 /nfs/dbraw/zinc/59/20/63/455592063.db2.gz AFJVTCRSFSBTPI-GZMMTYOYSA-N 1 2 327.215 3.476 10 10 EGCELO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000289959801 456196430 /nfs/dbraw/zinc/19/64/30/456196430.db2.gz YZMNIEIFWZZZDT-LLVKDONJSA-N 1 2 336.176 3.011 10 10 EGCELO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@H]1CC(F)F ZINC000289959801 456196436 /nfs/dbraw/zinc/19/64/36/456196436.db2.gz YZMNIEIFWZZZDT-LLVKDONJSA-N 1 2 336.176 3.011 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000378421938 457394703 /nfs/dbraw/zinc/39/47/03/457394703.db2.gz JQKNMHQLQJQANJ-SWLSCSKDSA-N 1 2 332.227 3.127 10 10 EGCELO C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191204167 455463633 /nfs/dbraw/zinc/46/36/33/455463633.db2.gz HOSCBRYUTMCYIA-LBPRGKRZSA-N 1 2 333.382 3.385 10 10 EGCELO OC1CCN(c2ccc(CNc3cc[nH+]c(C4CC4)n3)cc2F)CC1 ZINC000110243149 454843447 /nfs/dbraw/zinc/84/34/47/454843447.db2.gz KNWXHNRVEWGBCK-UHFFFAOYSA-N 1 2 342.418 3.066 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[NH2+]C2(c3noc(C)n3)CCCC2)c1O ZINC000177268824 454844855 /nfs/dbraw/zinc/84/48/55/454844855.db2.gz HYQOPORFIBORNB-UHFFFAOYSA-N 1 2 349.818 3.499 10 10 EGCELO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1[O-] ZINC000127717344 454990788 /nfs/dbraw/zinc/99/07/88/454990788.db2.gz SOAZFBUQZUCQHM-UHFFFAOYSA-N 1 2 339.823 3.014 10 10 EGCELO COc1cccc(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)c1O ZINC000271635272 455706660 /nfs/dbraw/zinc/70/66/60/455706660.db2.gz ONPZSXSSAFBPKN-CYBMUJFWSA-N 1 2 328.416 3.039 10 10 EGCELO COc1cccc(CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)c1O ZINC000271635272 455706662 /nfs/dbraw/zinc/70/66/62/455706662.db2.gz ONPZSXSSAFBPKN-CYBMUJFWSA-N 1 2 328.416 3.039 10 10 EGCELO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCCO2 ZINC000273388032 456226484 /nfs/dbraw/zinc/22/64/84/456226484.db2.gz KBRPMPUSRDFIOQ-NEPJUHHUSA-N 1 2 344.367 3.483 10 10 EGCELO CCO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715737414 1298287271 /nfs/dbraw/zinc/28/72/71/1298287271.db2.gz IZOIPSGKAFZZLB-GFCCVEGCSA-N 1 2 332.213 3.295 10 10 EGCELO CCO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715737414 1298287280 /nfs/dbraw/zinc/28/72/80/1298287280.db2.gz IZOIPSGKAFZZLB-GFCCVEGCSA-N 1 2 332.213 3.295 10 10 EGCELO CC(C)c1c[nH]c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000893879727 1306110547 /nfs/dbraw/zinc/11/05/47/1306110547.db2.gz IFTHDVGXOKDQEO-MRXNPFEDSA-N 1 2 329.444 3.420 10 10 EGCELO CC(C)c1c[nH]c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000893879727 1306110549 /nfs/dbraw/zinc/11/05/49/1306110549.db2.gz IFTHDVGXOKDQEO-MRXNPFEDSA-N 1 2 329.444 3.420 10 10 EGCELO C[N@H+](Cc1cc(F)cc(F)c1O)C1CCN(CC(F)(F)F)CC1 ZINC000894944630 1309131596 /nfs/dbraw/zinc/13/15/96/1309131596.db2.gz FGUCZBUFNLYFJM-UHFFFAOYSA-N 1 2 338.320 3.129 10 10 EGCELO C[N@@H+](Cc1cc(F)cc(F)c1O)C1CCN(CC(F)(F)F)CC1 ZINC000894944630 1309131600 /nfs/dbraw/zinc/13/16/00/1309131600.db2.gz FGUCZBUFNLYFJM-UHFFFAOYSA-N 1 2 338.320 3.129 10 10 EGCELO CC(=O)Nc1cccc2c1C[N@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC000895440514 1309335909 /nfs/dbraw/zinc/33/59/09/1309335909.db2.gz SETNDVKTWCRAJW-UHFFFAOYSA-N 1 2 332.350 3.187 10 10 EGCELO CC(=O)Nc1cccc2c1C[N@@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC000895440514 1309335916 /nfs/dbraw/zinc/33/59/16/1309335916.db2.gz SETNDVKTWCRAJW-UHFFFAOYSA-N 1 2 332.350 3.187 10 10 EGCELO C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1O ZINC000857875104 1328612025 /nfs/dbraw/zinc/61/20/25/1328612025.db2.gz GIKAJVKHPDHNIG-QFYYESIMSA-N 1 2 332.350 3.034 10 10 EGCELO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986495 1328650034 /nfs/dbraw/zinc/65/00/34/1328650034.db2.gz QBKMMXGSMATBNB-CYBMUJFWSA-N 1 2 326.425 3.227 10 10 EGCELO C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(F)cc(F)c1O ZINC000858528806 1328789403 /nfs/dbraw/zinc/78/94/03/1328789403.db2.gz FQOLIWYODMSZFS-HWPZZCPQSA-N 1 2 332.350 3.148 10 10 EGCELO CN(C)c1ccc(C[N@H+](Cc2cnn(-c3ccccc3)n2)C2CC2)cc1 ZINC000917075091 1319749927 /nfs/dbraw/zinc/74/99/27/1319749927.db2.gz PSRPQKDEUNDIJQ-UHFFFAOYSA-N 1 2 347.466 3.498 10 10 EGCELO CN(C)c1ccc(C[N@@H+](Cc2cnn(-c3ccccc3)n2)C2CC2)cc1 ZINC000917075091 1319749936 /nfs/dbraw/zinc/74/99/36/1319749936.db2.gz PSRPQKDEUNDIJQ-UHFFFAOYSA-N 1 2 347.466 3.498 10 10 EGCELO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccnn1C ZINC000866615545 1330133414 /nfs/dbraw/zinc/13/34/14/1330133414.db2.gz VITAWABOHVRQEY-DTWKUNHWSA-N 1 2 342.212 3.439 10 10 EGCELO COC1CCN(c2ccc(C[NH2+][C@@H](C)c3csnn3)cc2)CC1 ZINC001195241405 1368406546 /nfs/dbraw/zinc/40/65/46/1368406546.db2.gz AXKWTKZYJGHNTI-ZDUSSCGKSA-N 1 2 332.473 3.004 10 10 EGCELO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001119519806 1371361388 /nfs/dbraw/zinc/36/13/88/1371361388.db2.gz UAYZCXMHLVLWDQ-UHFFFAOYSA-N 1 2 343.408 3.055 10 10 EGCELO Oc1ccc(Cl)c(F)c1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000190767250 455380358 /nfs/dbraw/zinc/38/03/58/455380358.db2.gz HKNYGSMMKBWYCD-UHFFFAOYSA-N 1 2 335.810 3.338 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179467344 455050443 /nfs/dbraw/zinc/05/04/43/455050443.db2.gz UJNYBLVAMXYOLM-GFCCVEGCSA-N 1 2 327.215 3.128 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179467344 455050448 /nfs/dbraw/zinc/05/04/48/455050448.db2.gz UJNYBLVAMXYOLM-GFCCVEGCSA-N 1 2 327.215 3.128 10 10 EGCELO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000180121293 455135545 /nfs/dbraw/zinc/13/55/45/455135545.db2.gz PMMLBVCEZJFNCL-CQSZACIVSA-N 1 2 334.851 3.166 10 10 EGCELO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000180121293 455135549 /nfs/dbraw/zinc/13/55/49/455135549.db2.gz PMMLBVCEZJFNCL-CQSZACIVSA-N 1 2 334.851 3.166 10 10 EGCELO Oc1ccccc1CN(C[C@H]1CCCO1)c1cc[nH+]c(C2CC2)n1 ZINC000271409918 455626466 /nfs/dbraw/zinc/62/64/66/455626466.db2.gz KAWDLTRUQWKRLQ-MRXNPFEDSA-N 1 2 325.412 3.245 10 10 EGCELO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366813511 457901505 /nfs/dbraw/zinc/90/15/05/457901505.db2.gz WNEZAPXYQQVQQA-PBFPGSCMSA-N 1 2 325.836 3.204 10 10 EGCELO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366813511 457901517 /nfs/dbraw/zinc/90/15/17/457901517.db2.gz WNEZAPXYQQVQQA-PBFPGSCMSA-N 1 2 325.836 3.204 10 10 EGCELO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000377671226 458508558 /nfs/dbraw/zinc/50/85/58/458508558.db2.gz GIUHCPUWWJFVNO-CQSZACIVSA-N 1 2 336.819 3.442 10 10 EGCELO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000377671226 458508563 /nfs/dbraw/zinc/50/85/63/458508563.db2.gz GIUHCPUWWJFVNO-CQSZACIVSA-N 1 2 336.819 3.442 10 10 EGCELO COc1ccc(O)c([C@H](C)[NH2+]Cc2noc(-c3ccccc3)n2)c1 ZINC000182445670 1295047139 /nfs/dbraw/zinc/04/71/39/1295047139.db2.gz ZEUHJGDEPSRMGP-LBPRGKRZSA-N 1 2 325.368 3.302 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1O ZINC000872269954 1296871930 /nfs/dbraw/zinc/87/19/30/1296871930.db2.gz UVQRGUKZEBTAJR-CYBMUJFWSA-N 1 2 333.762 3.104 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c1O ZINC000872269954 1296871948 /nfs/dbraw/zinc/87/19/48/1296871948.db2.gz UVQRGUKZEBTAJR-CYBMUJFWSA-N 1 2 333.762 3.104 10 10 EGCELO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000724842000 1298350346 /nfs/dbraw/zinc/35/03/46/1298350346.db2.gz JLGGGHNAZUWRJQ-TVQRCGJNSA-N 1 2 346.652 3.419 10 10 EGCELO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000724842000 1298350360 /nfs/dbraw/zinc/35/03/60/1298350360.db2.gz JLGGGHNAZUWRJQ-TVQRCGJNSA-N 1 2 346.652 3.419 10 10 EGCELO COC(=O)c1c(C[N@H+](C)Cc2ccccn2)c2cc(F)ccc2n1C ZINC000894450570 1308898073 /nfs/dbraw/zinc/89/80/73/1308898073.db2.gz LDBDSESIGMHGGB-UHFFFAOYSA-N 1 2 341.386 3.131 10 10 EGCELO COC(=O)c1c(C[N@@H+](C)Cc2ccccn2)c2cc(F)ccc2n1C ZINC000894450570 1308898083 /nfs/dbraw/zinc/89/80/83/1308898083.db2.gz LDBDSESIGMHGGB-UHFFFAOYSA-N 1 2 341.386 3.131 10 10 EGCELO COC(=O)c1c(C[NH+]2CCC(F)(F)CC2)c2cc(F)ccc2n1C ZINC000894631224 1308990317 /nfs/dbraw/zinc/99/03/17/1308990317.db2.gz UNNBAGXEZJCRJN-UHFFFAOYSA-N 1 2 340.345 3.335 10 10 EGCELO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000895538155 1309390015 /nfs/dbraw/zinc/39/00/15/1309390015.db2.gz YFRKBJGKZPPPHD-AWEZNQCLSA-N 1 2 325.836 3.111 10 10 EGCELO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000895538156 1309390351 /nfs/dbraw/zinc/39/03/51/1309390351.db2.gz YFRKBJGKZPPPHD-CQSZACIVSA-N 1 2 325.836 3.111 10 10 EGCELO CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1cccc(Cl)c1O ZINC000858590403 1328803136 /nfs/dbraw/zinc/80/31/36/1328803136.db2.gz WFQPKWLRYGTBQV-NFAWXSAZSA-N 1 2 337.807 3.308 10 10 EGCELO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nn(CC)nc2C)cc1F ZINC000925013716 1323245074 /nfs/dbraw/zinc/24/50/74/1323245074.db2.gz MMHCYKHAMOCAPN-CYBMUJFWSA-N 1 2 333.455 3.443 10 10 EGCELO COC[C@@]1(C)C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000862552462 1329496170 /nfs/dbraw/zinc/49/61/70/1329496170.db2.gz ZJOFJQAVJJPHQG-MRXNPFEDSA-N 1 2 346.393 3.009 10 10 EGCELO COC[C@@]1(C)C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000862552462 1329496172 /nfs/dbraw/zinc/49/61/72/1329496172.db2.gz ZJOFJQAVJJPHQG-MRXNPFEDSA-N 1 2 346.393 3.009 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2ncccn2)C2CC2)c1O ZINC000932356891 1329807757 /nfs/dbraw/zinc/80/77/57/1329807757.db2.gz BCPNNDRAKNHJGA-OAHLLOKOSA-N 1 2 331.803 3.279 10 10 EGCELO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC001348173892 1391182346 /nfs/dbraw/zinc/18/23/46/1391182346.db2.gz YSXCYDGAYRTELZ-LBPRGKRZSA-N 1 2 333.457 3.425 10 10 EGCELO COc1ccc(N2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)cc1 ZINC000041646418 453975362 /nfs/dbraw/zinc/97/53/62/453975362.db2.gz AZDVYWHCAUMBJV-UHFFFAOYSA-N 1 2 329.444 3.303 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247282051 455582917 /nfs/dbraw/zinc/58/29/17/455582917.db2.gz YQHRCTSMHBSJDX-CHWSQXEVSA-N 1 2 334.268 3.405 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247282051 455582918 /nfs/dbraw/zinc/58/29/18/455582918.db2.gz YQHRCTSMHBSJDX-CHWSQXEVSA-N 1 2 334.268 3.405 10 10 EGCELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(Cl)c(Cl)c1O ZINC000185663456 455591597 /nfs/dbraw/zinc/59/15/97/455591597.db2.gz AFJVTCRSFSBTPI-LDYMZIIASA-N 1 2 327.215 3.476 10 10 EGCELO C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCCO2 ZINC000273388037 456227517 /nfs/dbraw/zinc/22/75/17/456227517.db2.gz KBRPMPUSRDFIOQ-RYUDHWBXSA-N 1 2 344.367 3.483 10 10 EGCELO COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000273505162 456234681 /nfs/dbraw/zinc/23/46/81/456234681.db2.gz QVTCDRKJJQGUDZ-CYBMUJFWSA-N 1 2 341.411 3.347 10 10 EGCELO Cc1cc(Cl)cc(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000372921880 458349350 /nfs/dbraw/zinc/34/93/50/458349350.db2.gz LAXCUNJJGPFTNS-OAHLLOKOSA-N 1 2 328.803 3.351 10 10 EGCELO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cccc(Br)c1O ZINC000728782434 574770830 /nfs/dbraw/zinc/77/08/30/574770830.db2.gz ODQKIZUDFOPNFE-CYBMUJFWSA-N 1 2 349.228 3.423 10 10 EGCELO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000757659339 574968977 /nfs/dbraw/zinc/96/89/77/574968977.db2.gz YJBYDRKADSUCDD-ZJUUUORDSA-N 1 2 332.213 3.371 10 10 EGCELO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ncc(Cl)s2)c1 ZINC000872117075 1296741549 /nfs/dbraw/zinc/74/15/49/1296741549.db2.gz YMQHUBBEETZTPZ-QMMMGPOBSA-N 1 2 326.805 3.140 10 10 EGCELO CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000863543558 1329561895 /nfs/dbraw/zinc/56/18/95/1329561895.db2.gz QTFSVUBNBMXSGU-AQUOVQTQSA-N 1 2 331.229 3.085 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](c2ncccn2)C2CC2)c1O ZINC000932356888 1329807712 /nfs/dbraw/zinc/80/77/12/1329807712.db2.gz BCPNNDRAKNHJGA-HNNXBMFYSA-N 1 2 331.803 3.279 10 10 EGCELO CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(Cl)cc(Cl)c1O ZINC000527958843 312984356 /nfs/dbraw/zinc/98/43/56/312984356.db2.gz XAZHKCPJCKLCDH-MELADBBJSA-N 1 2 334.243 3.280 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1O ZINC000267354004 455545027 /nfs/dbraw/zinc/54/50/27/455545027.db2.gz GMSKXBFBCZQSHF-UHFFFAOYSA-N 1 2 333.819 3.351 10 10 EGCELO Cc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C)n1-c1ccccn1 ZINC000371170397 457815280 /nfs/dbraw/zinc/81/52/80/457815280.db2.gz NXYYOTBLBMVZEH-UHFFFAOYSA-N 1 2 349.438 3.232 10 10 EGCELO Cc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(C)n1-c1ccccn1 ZINC000371170397 457815287 /nfs/dbraw/zinc/81/52/87/457815287.db2.gz NXYYOTBLBMVZEH-UHFFFAOYSA-N 1 2 349.438 3.232 10 10 EGCELO O=[N+]([O-])c1ccc(O)c(C[NH2+]Cc2nc(-c3ccncc3)cs2)c1 ZINC000733332338 575328957 /nfs/dbraw/zinc/32/89/57/575328957.db2.gz STOZGFHATBWKCV-UHFFFAOYSA-N 1 2 342.380 3.109 10 10 EGCELO O=C([C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)N1Cc2cccc(O)c2C1 ZINC001152574279 1379950837 /nfs/dbraw/zinc/95/08/37/1379950837.db2.gz SGFPMIMWTAJEEN-FZNQNYSPSA-N 1 2 337.423 3.300 10 10 EGCELO CCCN1C(=O)/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000096935943 201377805 /nfs/dbraw/zinc/37/78/05/201377805.db2.gz DHSSUNSPNQJXRT-UVTDQMKNSA-N 1 2 329.450 3.484 10 10 EGCELO COc1ccc([NH+]2CCC(N(C)C(=O)c3cccnc3C)CC2)cc1 ZINC000095394045 454202113 /nfs/dbraw/zinc/20/21/13/454202113.db2.gz MEQLSSJOCFQCBU-UHFFFAOYSA-N 1 2 339.439 3.140 10 10 EGCELO Cc1ncc(CN2CC[NH+](Cc3cccc(Cl)c3O)CC2)s1 ZINC000180080985 455128946 /nfs/dbraw/zinc/12/89/46/455128946.db2.gz GMIOTEFSMFHCHU-UHFFFAOYSA-N 1 2 337.876 3.128 10 10 EGCELO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)no1 ZINC000289585053 456131150 /nfs/dbraw/zinc/13/11/50/456131150.db2.gz AQZYSTAJZBQGJN-UONOGXRCSA-N 1 2 332.448 3.474 10 10 EGCELO CCn1cc[nH+]c1CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298023818 456345631 /nfs/dbraw/zinc/34/56/31/456345631.db2.gz GAFDHALLSBTGMY-UHFFFAOYSA-N 1 2 343.475 3.089 10 10 EGCELO CCOCc1nc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)no1 ZINC000290903269 456462833 /nfs/dbraw/zinc/46/28/33/456462833.db2.gz MGPYCNMUFBMNFX-SNVBAGLBSA-N 1 2 325.796 3.124 10 10 EGCELO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc(Br)cc(F)c1O ZINC000757658567 574968993 /nfs/dbraw/zinc/96/89/93/574968993.db2.gz RQUFBXNJKHOOCK-ZJUUUORDSA-N 1 2 332.213 3.371 10 10 EGCELO O=C(C1CCCCC1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000092539574 1292874805 /nfs/dbraw/zinc/87/48/05/1292874805.db2.gz HREMZEVFTYBXEH-UHFFFAOYSA-N 1 2 336.863 3.270 10 10 EGCELO CC(C)c1c[nH]c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000893909819 1306125514 /nfs/dbraw/zinc/12/55/14/1306125514.db2.gz FXKDXCJFQPNIIM-UHFFFAOYSA-N 1 2 328.460 3.002 10 10 EGCELO CC(C)c1c[nH]c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000893909819 1306125516 /nfs/dbraw/zinc/12/55/16/1306125516.db2.gz FXKDXCJFQPNIIM-UHFFFAOYSA-N 1 2 328.460 3.002 10 10 EGCELO COc1c(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)ccc1[N+](=O)[O-] ZINC000895690692 1309467143 /nfs/dbraw/zinc/46/71/43/1309467143.db2.gz KKBRKQVPLVLFJC-GDBMZVCRSA-N 1 2 346.358 3.424 10 10 EGCELO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)cc(F)c3O)O2)[C@H]1C ZINC000895819586 1309534433 /nfs/dbraw/zinc/53/44/33/1309534433.db2.gz BLMTXOLZIODJTF-URTBUVHWSA-N 1 2 343.826 3.247 10 10 EGCELO CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000863543559 1329562070 /nfs/dbraw/zinc/56/20/70/1329562070.db2.gz QTFSVUBNBMXSGU-OXHMUOHRSA-N 1 2 331.229 3.085 10 10 EGCELO C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc(F)cc(F)c1O ZINC000866574437 1330128694 /nfs/dbraw/zinc/12/86/94/1330128694.db2.gz VVIKPXAELZPWAV-NSHDSACASA-N 1 2 331.366 3.450 10 10 EGCELO Cc1c[nH+]c2cc(C(=O)Nc3c4nonc4ccc3Cl)ccn12 ZINC001128607139 1373297445 /nfs/dbraw/zinc/29/74/45/1373297445.db2.gz NDWZZBVUZVJMBK-UHFFFAOYSA-N 1 2 327.731 3.085 10 10 EGCELO Cc1nc2[nH]ccc2c(N2CC=C(c3c[nH]c4ncccc34)CC2)[nH+]1 ZINC000080955735 454656016 /nfs/dbraw/zinc/65/60/16/454656016.db2.gz DUCGFPRWPIRQHP-UHFFFAOYSA-N 1 2 330.395 3.436 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611898 454724158 /nfs/dbraw/zinc/72/41/58/454724158.db2.gz QBQQBFHPOYWOTC-LLVKDONJSA-N 1 2 330.133 3.198 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611898 454724160 /nfs/dbraw/zinc/72/41/60/454724160.db2.gz QBQQBFHPOYWOTC-LLVKDONJSA-N 1 2 330.133 3.198 10 10 EGCELO Oc1cccc([C@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)CCO2)c1 ZINC000191371802 455480992 /nfs/dbraw/zinc/48/09/92/455480992.db2.gz AFLXAGGFMXEHOH-MRXNPFEDSA-N 1 2 337.778 3.464 10 10 EGCELO Oc1cccc([C@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)CCO2)c1 ZINC000191371802 455480994 /nfs/dbraw/zinc/48/09/94/455480994.db2.gz AFLXAGGFMXEHOH-MRXNPFEDSA-N 1 2 337.778 3.464 10 10 EGCELO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000180041812 455121111 /nfs/dbraw/zinc/12/11/11/455121111.db2.gz RNCNXEUJGPYYDH-OAHLLOKOSA-N 1 2 330.407 3.186 10 10 EGCELO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000180041812 455121114 /nfs/dbraw/zinc/12/11/14/455121114.db2.gz RNCNXEUJGPYYDH-OAHLLOKOSA-N 1 2 330.407 3.186 10 10 EGCELO O=C(c1ccccc1)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000182124303 455440310 /nfs/dbraw/zinc/44/03/10/455440310.db2.gz UXGJYMIBXXKLTL-UHFFFAOYSA-N 1 2 344.842 3.440 10 10 EGCELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)c2ccccc2)[nH]1 ZINC000185324370 455540311 /nfs/dbraw/zinc/54/03/11/455540311.db2.gz RXXJLWQCXVNJNG-GTNSWQLSSA-N 1 2 326.375 3.398 10 10 EGCELO Cc1nnc([C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)c2ccccc2)[nH]1 ZINC000185325036 455540595 /nfs/dbraw/zinc/54/05/95/455540595.db2.gz LTXAFVPUWKGVRI-DIFFPNOSSA-N 1 2 326.375 3.398 10 10 EGCELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1 ZINC000247283656 455582733 /nfs/dbraw/zinc/58/27/33/455582733.db2.gz YRZGREUQBZNRML-VHDGCEQUSA-N 1 2 346.254 3.467 10 10 EGCELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1 ZINC000247283656 455582736 /nfs/dbraw/zinc/58/27/36/455582736.db2.gz YRZGREUQBZNRML-VHDGCEQUSA-N 1 2 346.254 3.467 10 10 EGCELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000248800842 455731364 /nfs/dbraw/zinc/73/13/64/455731364.db2.gz ABCWEJTWYVZERN-KGLIPLIRSA-N 1 2 337.807 3.007 10 10 EGCELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000248800842 455731369 /nfs/dbraw/zinc/73/13/69/455731369.db2.gz ABCWEJTWYVZERN-KGLIPLIRSA-N 1 2 337.807 3.007 10 10 EGCELO CC(C)OCc1nc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)no1 ZINC000293512292 455788830 /nfs/dbraw/zinc/78/88/30/455788830.db2.gz AFAVUJRHVCRSDZ-SECBINFHSA-N 1 2 343.786 3.344 10 10 EGCELO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(C)n1-c1ccccc1C ZINC000378309620 457389515 /nfs/dbraw/zinc/38/95/15/457389515.db2.gz PBVVCIYVMXEJQP-MRXNPFEDSA-N 1 2 348.450 3.413 10 10 EGCELO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(C)n1-c1ccccc1C ZINC000378309620 457389524 /nfs/dbraw/zinc/38/95/24/457389524.db2.gz PBVVCIYVMXEJQP-MRXNPFEDSA-N 1 2 348.450 3.413 10 10 EGCELO CCC[NH+]1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708140273 1298238306 /nfs/dbraw/zinc/23/83/06/1298238306.db2.gz KITIUKDBXFPDKO-UHFFFAOYSA-N 1 2 347.684 3.336 10 10 EGCELO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@H](C(F)(F)F)O1 ZINC000895477018 1309358854 /nfs/dbraw/zinc/35/88/54/1309358854.db2.gz PGUMFKYXRBGOBY-QPUJVOFHSA-N 1 2 325.277 3.212 10 10 EGCELO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@H](C(F)(F)F)O1 ZINC000895477018 1309358845 /nfs/dbraw/zinc/35/88/45/1309358845.db2.gz PGUMFKYXRBGOBY-QPUJVOFHSA-N 1 2 325.277 3.212 10 10 EGCELO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)cc(F)c3O)O2)CO1 ZINC000895823277 1309537517 /nfs/dbraw/zinc/53/75/17/1309537517.db2.gz ZCTPGDCUWGKHDL-AKWBHNSASA-N 1 2 329.799 3.001 10 10 EGCELO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000858592934 1328803705 /nfs/dbraw/zinc/80/37/05/1328803705.db2.gz OXZCXLPMDAYKEU-KKZNHRDASA-N 1 2 332.213 3.369 10 10 EGCELO CCN(CC)c1ccc(C[NH2+]Cc2noc3c2COCC3)cc1F ZINC000923016750 1322675513 /nfs/dbraw/zinc/67/55/13/1322675513.db2.gz UKQIYMYTMMRKHI-UHFFFAOYSA-N 1 2 333.407 3.022 10 10 EGCELO CC[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(Cl)c1O ZINC000926956715 1327795603 /nfs/dbraw/zinc/79/56/03/1327795603.db2.gz ZCRWXXNMKZNPHF-CYBMUJFWSA-N 1 2 333.881 3.157 10 10 EGCELO Cc1ccc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c(O)c1O ZINC001141050842 1378222239 /nfs/dbraw/zinc/22/22/39/1378222239.db2.gz PXDFLGBJKLSDQH-UHFFFAOYSA-N 1 2 337.379 3.273 10 10 EGCELO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000026858666 202149205 /nfs/dbraw/zinc/14/92/05/202149205.db2.gz ORYIJHQLVLSPRM-UHFFFAOYSA-N 1 2 346.858 3.387 10 10 EGCELO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000089782872 454197960 /nfs/dbraw/zinc/19/79/60/454197960.db2.gz QDYJQBCDOKCQII-ZWKOTPCHSA-N 1 2 346.358 3.449 10 10 EGCELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC000092096326 454521078 /nfs/dbraw/zinc/52/10/78/454521078.db2.gz YRZGREUQBZNRML-BPLDGKMQSA-N 1 2 346.254 3.467 10 10 EGCELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC000092096326 454521083 /nfs/dbraw/zinc/52/10/83/454521083.db2.gz YRZGREUQBZNRML-BPLDGKMQSA-N 1 2 346.254 3.467 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611899 454724222 /nfs/dbraw/zinc/72/42/22/454724222.db2.gz QBQQBFHPOYWOTC-NSHDSACASA-N 1 2 330.133 3.198 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611899 454724219 /nfs/dbraw/zinc/72/42/19/454724219.db2.gz QBQQBFHPOYWOTC-NSHDSACASA-N 1 2 330.133 3.198 10 10 EGCELO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000184687076 455427966 /nfs/dbraw/zinc/42/79/66/455427966.db2.gz YKRBWAHUYCUZDK-CYBMUJFWSA-N 1 2 340.832 3.084 10 10 EGCELO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000184687076 455427971 /nfs/dbraw/zinc/42/79/71/455427971.db2.gz YKRBWAHUYCUZDK-CYBMUJFWSA-N 1 2 340.832 3.084 10 10 EGCELO CC(C)n1ncnc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000279968844 455879638 /nfs/dbraw/zinc/87/96/38/455879638.db2.gz IWMNPZJPEKJMPS-UHFFFAOYSA-N 1 2 327.476 3.481 10 10 EGCELO CC(C)n1ncnc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000279968844 455879641 /nfs/dbraw/zinc/87/96/41/455879641.db2.gz IWMNPZJPEKJMPS-UHFFFAOYSA-N 1 2 327.476 3.481 10 10 EGCELO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000289959809 456196073 /nfs/dbraw/zinc/19/60/73/456196073.db2.gz YZMNIEIFWZZZDT-NSHDSACASA-N 1 2 336.176 3.011 10 10 EGCELO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000289959809 456196074 /nfs/dbraw/zinc/19/60/74/456196074.db2.gz YZMNIEIFWZZZDT-NSHDSACASA-N 1 2 336.176 3.011 10 10 EGCELO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000367748902 457977643 /nfs/dbraw/zinc/97/76/43/457977643.db2.gz KNKUAMAKLNILNW-HNNXBMFYSA-N 1 2 335.835 3.267 10 10 EGCELO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000367748902 457977647 /nfs/dbraw/zinc/97/76/47/457977647.db2.gz KNKUAMAKLNILNW-HNNXBMFYSA-N 1 2 335.835 3.267 10 10 EGCELO C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1O ZINC000530215551 458720336 /nfs/dbraw/zinc/72/03/36/458720336.db2.gz HLXOSLXESGQWIF-OTYXRUKQSA-N 1 2 343.240 3.229 10 10 EGCELO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1O ZINC000530215551 458720342 /nfs/dbraw/zinc/72/03/42/458720342.db2.gz HLXOSLXESGQWIF-OTYXRUKQSA-N 1 2 343.240 3.229 10 10 EGCELO C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1[O-] ZINC000530215551 458720347 /nfs/dbraw/zinc/72/03/47/458720347.db2.gz HLXOSLXESGQWIF-OTYXRUKQSA-N 1 2 343.240 3.229 10 10 EGCELO C[C@H]1C[NH+](Cc2cccc(NC(=O)C3=CC(=O)CS3)c2)C[C@H](C)O1 ZINC000738544248 576335912 /nfs/dbraw/zinc/33/59/12/576335912.db2.gz XUULIOAYMFCYNF-STQMWFEESA-N 1 2 346.452 3.315 10 10 EGCELO Cc1cc(C(=O)C[N@@H+](C)CC[C@@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000744406698 576827450 /nfs/dbraw/zinc/82/74/50/576827450.db2.gz NQLAIGVXGRIOMN-CQSZACIVSA-N 1 2 332.419 3.119 10 10 EGCELO Cc1cc(C(=O)C[N@H+](C)CC[C@@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000744406698 576827451 /nfs/dbraw/zinc/82/74/51/576827451.db2.gz NQLAIGVXGRIOMN-CQSZACIVSA-N 1 2 332.419 3.119 10 10 EGCELO C[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC000895275750 1309267166 /nfs/dbraw/zinc/26/71/66/1309267166.db2.gz OXRCCEBSYNDHST-YGRLFVJLSA-N 1 2 346.652 3.276 10 10 EGCELO C[C@]12COC[C@H]1C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC000895275750 1309267173 /nfs/dbraw/zinc/26/71/73/1309267173.db2.gz OXRCCEBSYNDHST-YGRLFVJLSA-N 1 2 346.652 3.276 10 10 EGCELO Oc1ccccc1C[N@@H+](Cc1c(F)cncc1F)C[C@H]1CCCO1 ZINC000929971195 1328752970 /nfs/dbraw/zinc/75/29/70/1328752970.db2.gz NPLSFYFJEYNOGJ-CQSZACIVSA-N 1 2 334.366 3.247 10 10 EGCELO Oc1ccccc1C[N@H+](Cc1c(F)cncc1F)C[C@H]1CCCO1 ZINC000929971195 1328752972 /nfs/dbraw/zinc/75/29/72/1328752972.db2.gz NPLSFYFJEYNOGJ-CQSZACIVSA-N 1 2 334.366 3.247 10 10 EGCELO C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(F)cc(F)c1O ZINC000858528812 1328789284 /nfs/dbraw/zinc/78/92/84/1328789284.db2.gz FQOLIWYODMSZFS-QLJPJBMISA-N 1 2 332.350 3.148 10 10 EGCELO FC(F)(F)C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001118631452 1371208139 /nfs/dbraw/zinc/20/81/39/1371208139.db2.gz USGBMMDAMFQKJZ-INIZCTEOSA-N 1 2 328.378 3.440 10 10 EGCELO FC(F)(F)C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001118631452 1371208141 /nfs/dbraw/zinc/20/81/41/1371208141.db2.gz USGBMMDAMFQKJZ-INIZCTEOSA-N 1 2 328.378 3.440 10 10 EGCELO Oc1ccc(Br)cc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000092810632 454637296 /nfs/dbraw/zinc/63/72/96/454637296.db2.gz VWMSLUAKUMHMEK-UHFFFAOYSA-N 1 2 336.233 3.257 10 10 EGCELO COc1cc(N(C)Cc2[nH+]cc(C)c(OC)c2C)cc(OC)c1OC ZINC000125701945 454840343 /nfs/dbraw/zinc/84/03/43/454840343.db2.gz BQYJAMWDHWYOHA-UHFFFAOYSA-N 1 2 346.427 3.369 10 10 EGCELO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)c2ccccc2)[nH]1 ZINC000185324349 455540436 /nfs/dbraw/zinc/54/04/36/455540436.db2.gz RXXJLWQCXVNJNG-APPDUMDISA-N 1 2 326.375 3.398 10 10 EGCELO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2O)C1 ZINC000186111148 455695823 /nfs/dbraw/zinc/69/58/23/455695823.db2.gz DRIRNRLVBGTWFV-VHSXEESVSA-N 1 2 346.258 3.153 10 10 EGCELO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)c(F)c1O ZINC000187766658 455950205 /nfs/dbraw/zinc/95/02/05/455950205.db2.gz MHWMIRFNCQBPHM-MFKMUULPSA-N 1 2 332.350 3.447 10 10 EGCELO Oc1ccccc1C[N@@H+](Cc1ncc(C2CC2)o1)C[C@@H]1CCCO1 ZINC000270478599 455964882 /nfs/dbraw/zinc/96/48/82/455964882.db2.gz DFTLYFYEAXXQSF-INIZCTEOSA-N 1 2 328.412 3.439 10 10 EGCELO Oc1ccccc1C[N@H+](Cc1ncc(C2CC2)o1)C[C@@H]1CCCO1 ZINC000270478599 455964886 /nfs/dbraw/zinc/96/48/86/455964886.db2.gz DFTLYFYEAXXQSF-INIZCTEOSA-N 1 2 328.412 3.439 10 10 EGCELO CC[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cccc(Cl)c1O ZINC000286967535 456058135 /nfs/dbraw/zinc/05/81/35/456058135.db2.gz IFFUJIULKWOPIN-CQDKDKBSSA-N 1 2 329.868 3.244 10 10 EGCELO Cc1cn2cc(NC(=O)NCc3ccc(N(C)C)cc3C)ccc2[nH+]1 ZINC000738918582 576369148 /nfs/dbraw/zinc/36/91/48/576369148.db2.gz CKLHFRREZYJRHK-UHFFFAOYSA-N 1 2 337.427 3.339 10 10 EGCELO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000034686934 1291390824 /nfs/dbraw/zinc/39/08/24/1291390824.db2.gz JNBJUMYLPWHBCD-HXUWFJFHSA-N 1 2 326.440 3.032 10 10 EGCELO CN(C)c1ccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000034686934 1291390830 /nfs/dbraw/zinc/39/08/30/1291390830.db2.gz JNBJUMYLPWHBCD-HXUWFJFHSA-N 1 2 326.440 3.032 10 10 EGCELO C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H](C)[N@@H+]1C ZINC000708141928 1298236940 /nfs/dbraw/zinc/23/69/40/1298236940.db2.gz XIHUSZAQIRLLKO-AOOOYVTPSA-N 1 2 347.684 3.333 10 10 EGCELO C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H](C)[N@H+]1C ZINC000708141928 1298236927 /nfs/dbraw/zinc/23/69/27/1298236927.db2.gz XIHUSZAQIRLLKO-AOOOYVTPSA-N 1 2 347.684 3.333 10 10 EGCELO Cc1cc(CC(=O)NCc2[nH]c(C)c(C)[nH+]2)c(C)n1-c1ccccc1 ZINC000896907560 1310079986 /nfs/dbraw/zinc/07/99/86/1310079986.db2.gz OQQNGUVALBJRNH-UHFFFAOYSA-N 1 2 336.439 3.293 10 10 EGCELO C[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2ccccc2c1O ZINC000925790403 1325303092 /nfs/dbraw/zinc/30/30/92/1325303092.db2.gz FUTWLFZHNZOGKZ-DOTOQJQBSA-N 1 2 340.467 3.355 10 10 EGCELO C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(F)cc(F)c1O ZINC000927015524 1327821974 /nfs/dbraw/zinc/82/19/74/1327821974.db2.gz RBIGHCQBXSJSBJ-DGCLKSJQSA-N 1 2 327.371 3.049 10 10 EGCELO Cn1cc(C(F)F)c(C[NH2+]Cc2c(O)cccc2Br)n1 ZINC000865807251 1329740560 /nfs/dbraw/zinc/74/05/60/1329740560.db2.gz PTOYQBRSEMJQBE-UHFFFAOYSA-N 1 2 346.175 3.116 10 10 EGCELO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000180121310 455135058 /nfs/dbraw/zinc/13/50/58/455135058.db2.gz PMMLBVCEZJFNCL-AWEZNQCLSA-N 1 2 334.851 3.166 10 10 EGCELO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000180121310 455135060 /nfs/dbraw/zinc/13/50/60/455135060.db2.gz PMMLBVCEZJFNCL-AWEZNQCLSA-N 1 2 334.851 3.166 10 10 EGCELO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)no1 ZINC000290092012 456236983 /nfs/dbraw/zinc/23/69/83/456236983.db2.gz HLYUHCSNFAILJR-VHSXEESVSA-N 1 2 325.796 3.377 10 10 EGCELO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000371279941 457848211 /nfs/dbraw/zinc/84/82/11/457848211.db2.gz MFYKKSZAYYUZRS-INIZCTEOSA-N 1 2 334.423 3.105 10 10 EGCELO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000371279941 457848214 /nfs/dbraw/zinc/84/82/14/457848214.db2.gz MFYKKSZAYYUZRS-INIZCTEOSA-N 1 2 334.423 3.105 10 10 EGCELO C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1[O-] ZINC000530218311 458721824 /nfs/dbraw/zinc/72/18/24/458721824.db2.gz VWSNLHJPDSURCU-TVQRCGJNSA-N 1 2 343.240 3.229 10 10 EGCELO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1O ZINC000530218311 458721832 /nfs/dbraw/zinc/72/18/32/458721832.db2.gz VWSNLHJPDSURCU-TVQRCGJNSA-N 1 2 343.240 3.229 10 10 EGCELO COc1ccc(N2CC[NH+](Cc3cccc(OC)c3F)CC2)cc1 ZINC000192934711 1295817476 /nfs/dbraw/zinc/81/74/76/1295817476.db2.gz PGCRISGCTNRUFE-UHFFFAOYSA-N 1 2 330.403 3.165 10 10 EGCELO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC000895251155 1309258497 /nfs/dbraw/zinc/25/84/97/1309258497.db2.gz HQTYFVXOTUIJDV-GASCZTMLSA-N 1 2 344.224 3.152 10 10 EGCELO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC000895251155 1309258505 /nfs/dbraw/zinc/25/85/05/1309258505.db2.gz HQTYFVXOTUIJDV-GASCZTMLSA-N 1 2 344.224 3.152 10 10 EGCELO COc1cc(C)cc(C[N@@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c1O ZINC000895453824 1309344586 /nfs/dbraw/zinc/34/45/86/1309344586.db2.gz PQCNFXIXTXEGOL-ZDUSSCGKSA-N 1 2 326.396 3.052 10 10 EGCELO COc1cc(C)cc(C[N@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c1O ZINC000895453824 1309344592 /nfs/dbraw/zinc/34/45/92/1309344592.db2.gz PQCNFXIXTXEGOL-ZDUSSCGKSA-N 1 2 326.396 3.052 10 10 EGCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000895750192 1309503573 /nfs/dbraw/zinc/50/35/73/1309503573.db2.gz XGPOGGXCRVNIRM-ZDUSSCGKSA-N 1 2 327.758 3.017 10 10 EGCELO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1nc2c(s1)COCC2 ZINC000922960605 1322662349 /nfs/dbraw/zinc/66/23/49/1322662349.db2.gz HULUSYICMZQQDT-UHFFFAOYSA-N 1 2 328.796 3.004 10 10 EGCELO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2cccc(Br)c2O)C1 ZINC000053117555 214165352 /nfs/dbraw/zinc/16/53/52/214165352.db2.gz RJSRXXDVRLGEKH-IAQYHMDHSA-N 1 2 328.250 3.186 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647911 454599600 /nfs/dbraw/zinc/59/96/00/454599600.db2.gz TXQVKWGBWLZPQL-UHFFFAOYSA-N 1 2 327.215 3.128 10 10 EGCELO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1OC ZINC000160395869 455453886 /nfs/dbraw/zinc/45/38/86/455453886.db2.gz BCRMNOSPFMRBFB-KRWDZBQOSA-N 1 2 335.425 3.044 10 10 EGCELO COc1cc(O)c(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1OC ZINC000160395869 455453889 /nfs/dbraw/zinc/45/38/89/455453889.db2.gz BCRMNOSPFMRBFB-KRWDZBQOSA-N 1 2 335.425 3.044 10 10 EGCELO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000185324428 455540096 /nfs/dbraw/zinc/54/00/96/455540096.db2.gz WYNRMQVZSBUJLS-KPZWWZAWSA-N 1 2 338.411 3.268 10 10 EGCELO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2O)C1 ZINC000186111167 455695497 /nfs/dbraw/zinc/69/54/97/455695497.db2.gz DRIRNRLVBGTWFV-ZJUUUORDSA-N 1 2 346.258 3.153 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000293841917 455797801 /nfs/dbraw/zinc/79/78/01/455797801.db2.gz HEJBEYWHIJYUNH-LLVKDONJSA-N 1 2 330.190 3.482 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000293841917 455797807 /nfs/dbraw/zinc/79/78/07/455797807.db2.gz HEJBEYWHIJYUNH-LLVKDONJSA-N 1 2 330.190 3.482 10 10 EGCELO COc1ccc(N2CCN(C(=O)Nc3c(C)cc[nH+]c3C)CC2)cc1 ZINC000287449332 456069567 /nfs/dbraw/zinc/06/95/67/456069567.db2.gz HWIBNGRILOAADK-UHFFFAOYSA-N 1 2 340.427 3.061 10 10 EGCELO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)no1 ZINC000289585045 456130898 /nfs/dbraw/zinc/13/08/98/456130898.db2.gz AQZYSTAJZBQGJN-KBPBESRZSA-N 1 2 332.448 3.474 10 10 EGCELO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1noc(C3CC3)n1)OCO2 ZINC000362367811 458128848 /nfs/dbraw/zinc/12/88/48/458128848.db2.gz AWQNCQBHKWQQRN-ZDUSSCGKSA-N 1 2 343.383 3.109 10 10 EGCELO Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1noc(C3CC3)n1)OCO2 ZINC000362367811 458128852 /nfs/dbraw/zinc/12/88/52/458128852.db2.gz AWQNCQBHKWQQRN-ZDUSSCGKSA-N 1 2 343.383 3.109 10 10 EGCELO COc1ccc([NH+]2CCC(NC(=O)c3cc(C)[nH]c3C)CC2)cc1 ZINC000726563363 574562465 /nfs/dbraw/zinc/56/24/65/574562465.db2.gz HSMQFPXSFVFINS-UHFFFAOYSA-N 1 2 327.428 3.039 10 10 EGCELO C[C@H]1[C@H]([NH3+])CCCN1Cc1cc(Cl)cc(Br)c1O ZINC000708125644 1298234491 /nfs/dbraw/zinc/23/44/91/1298234491.db2.gz WRBZRWNNMNWIOV-QPUJVOFHSA-N 1 2 333.657 3.120 10 10 EGCELO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)N1CCOCC1 ZINC000184936116 455475966 /nfs/dbraw/zinc/47/59/66/455475966.db2.gz CJKUIGGBEGBSOP-GHMZBOCLSA-N 1 2 333.259 3.070 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000127152490 454942461 /nfs/dbraw/zinc/94/24/61/454942461.db2.gz HHGSXZMQQSMPID-SFHVURJKSA-N 1 2 345.370 3.013 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000127152490 454942465 /nfs/dbraw/zinc/94/24/65/454942465.db2.gz HHGSXZMQQSMPID-SFHVURJKSA-N 1 2 345.370 3.013 10 10 EGCELO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000284198351 455649461 /nfs/dbraw/zinc/64/94/61/455649461.db2.gz BOERUNACIGVREV-VIFPVBQESA-N 1 2 339.298 3.148 10 10 EGCELO CCCN(CCC)c1ccc(C[NH2+][C@H](C(N)=O)c2ccccn2)cc1 ZINC000295119821 455840045 /nfs/dbraw/zinc/84/00/45/455840045.db2.gz NAIDOMDZUWZSPW-IBGZPJMESA-N 1 2 340.471 3.024 10 10 EGCELO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1O ZINC000273388035 456226624 /nfs/dbraw/zinc/22/66/24/456226624.db2.gz KBRPMPUSRDFIOQ-NWDGAFQWSA-N 1 2 344.367 3.483 10 10 EGCELO O=C(NCc1ccccc1O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000299468054 456703077 /nfs/dbraw/zinc/70/30/77/456703077.db2.gz FHLMOGVUKGMDBR-UHFFFAOYSA-N 1 2 346.456 3.156 10 10 EGCELO COc1ccc([NH+]2CCC(NC(=O)C3(C(F)(F)F)CC3)CC2)cc1 ZINC000726562919 574562505 /nfs/dbraw/zinc/56/25/05/574562505.db2.gz PXGTXBHQPWIFSN-UHFFFAOYSA-N 1 2 342.361 3.123 10 10 EGCELO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1cc(C)cc(OC)c1O ZINC000164218830 1294345544 /nfs/dbraw/zinc/34/55/44/1294345544.db2.gz BMIGZYDHQYYHQY-UHFFFAOYSA-N 1 2 343.423 3.275 10 10 EGCELO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(C)cc(OC)c1O ZINC000164218830 1294345551 /nfs/dbraw/zinc/34/55/51/1294345551.db2.gz BMIGZYDHQYYHQY-UHFFFAOYSA-N 1 2 343.423 3.275 10 10 EGCELO C[C@@H]1[C@@H]([NH3+])CCCN1Cc1cc(Cl)cc(Br)c1O ZINC000708125642 1298236150 /nfs/dbraw/zinc/23/61/50/1298236150.db2.gz WRBZRWNNMNWIOV-PELKAZGASA-N 1 2 333.657 3.120 10 10 EGCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000895752057 1309504459 /nfs/dbraw/zinc/50/44/59/1309504459.db2.gz CNQAWUVVFCSKNH-CQSZACIVSA-N 1 2 327.758 3.017 10 10 EGCELO CC[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000925790986 1325301623 /nfs/dbraw/zinc/30/16/23/1325301623.db2.gz JWXZBXCYTINSCV-GDBMZVCRSA-N 1 2 338.879 3.245 10 10 EGCELO CN(C)c1cc(F)c(C[NH+]2CCN(c3cccc(O)c3)CC2)cc1F ZINC000862216905 1329466843 /nfs/dbraw/zinc/46/68/43/1329466843.db2.gz PLGJYYHTZDRPJV-UHFFFAOYSA-N 1 2 347.409 3.059 10 10 EGCELO CCOC(=O)c1cc(C[NH2+][C@@H](CC)c2cccc(Cl)c2O)on1 ZINC000866517233 1330121022 /nfs/dbraw/zinc/12/10/22/1330121022.db2.gz YSCQAFJGJUBCQW-ZDUSSCGKSA-N 1 2 338.791 3.451 10 10 EGCELO CN(C)c1cc[nH+]c(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001295559736 1382724525 /nfs/dbraw/zinc/72/45/25/1382724525.db2.gz MRNPYVZVMBVHNM-UHFFFAOYSA-N 1 2 329.381 3.026 10 10 EGCELO O=C(C1CCCCC1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179880104 455092968 /nfs/dbraw/zinc/09/29/68/455092968.db2.gz SYOQHBKGJIGXAU-UHFFFAOYSA-N 1 2 336.863 3.270 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000295406946 455848136 /nfs/dbraw/zinc/84/81/36/455848136.db2.gz RGMAVKFJCVJIJC-JQWIXIFHSA-N 1 2 327.705 3.072 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000295406946 455848137 /nfs/dbraw/zinc/84/81/37/455848137.db2.gz RGMAVKFJCVJIJC-JQWIXIFHSA-N 1 2 327.705 3.072 10 10 EGCELO CC[C@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Cl)cc(Cl)c1O ZINC000287585748 456071907 /nfs/dbraw/zinc/07/19/07/456071907.db2.gz HRENQMNSSYXXOI-ZANVPECISA-N 1 2 329.231 3.420 10 10 EGCELO COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000273505163 456235673 /nfs/dbraw/zinc/23/56/73/456235673.db2.gz QVTCDRKJJQGUDZ-ZDUSSCGKSA-N 1 2 341.411 3.347 10 10 EGCELO Cc1cn2cc(NC(=O)NCc3ccc4c(c3)CCCN4C)ccc2[nH+]1 ZINC000738920672 576369289 /nfs/dbraw/zinc/36/92/89/576369289.db2.gz VKMAQUMVODGPGM-UHFFFAOYSA-N 1 2 349.438 3.347 10 10 EGCELO O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000738949284 576370234 /nfs/dbraw/zinc/37/02/34/576370234.db2.gz LRVPPIGFZFONBX-UHFFFAOYSA-N 1 2 335.411 3.256 10 10 EGCELO CCc1cc(NC(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)no1 ZINC000740463447 576584576 /nfs/dbraw/zinc/58/45/76/576584576.db2.gz MQAMBEVOYUGPFW-UHFFFAOYSA-N 1 2 344.415 3.036 10 10 EGCELO [NH3+]C[C@@H]1CCCCN1Cc1cc(Cl)cc(Br)c1O ZINC000708091772 1298235055 /nfs/dbraw/zinc/23/50/55/1298235055.db2.gz XSQVAPQNVRTMII-NSHDSACASA-N 1 2 333.657 3.121 10 10 EGCELO C[NH2+]C[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708100789 1298235478 /nfs/dbraw/zinc/23/54/78/1298235478.db2.gz VUCOPIKJWSHNGJ-JTQLQIEISA-N 1 2 347.684 3.240 10 10 EGCELO CC(C)O[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715819266 1298289547 /nfs/dbraw/zinc/28/95/47/1298289547.db2.gz VDWBVSYOQFEDAK-LBPRGKRZSA-N 1 2 332.213 3.293 10 10 EGCELO CC(C)O[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715819266 1298289536 /nfs/dbraw/zinc/28/95/36/1298289536.db2.gz VDWBVSYOQFEDAK-LBPRGKRZSA-N 1 2 332.213 3.293 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000880056813 1300904814 /nfs/dbraw/zinc/90/48/14/1300904814.db2.gz KVRJXUKUMFLEAL-YMTOWFKASA-N 1 2 349.324 3.276 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000880056813 1300904823 /nfs/dbraw/zinc/90/48/23/1300904823.db2.gz KVRJXUKUMFLEAL-YMTOWFKASA-N 1 2 349.324 3.276 10 10 EGCELO CN(C)c1ccc(/C=C\C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)cc1 ZINC000857881204 1328614168 /nfs/dbraw/zinc/61/41/68/1328614168.db2.gz DOJTWHXTKCJYQJ-SREVYHEPSA-N 1 2 335.451 3.244 10 10 EGCELO CN(C)c1ccc(/C=C\C[N@H+]2Cc3ccccc3N(C)C(=O)C2)cc1 ZINC000857881204 1328614176 /nfs/dbraw/zinc/61/41/76/1328614176.db2.gz DOJTWHXTKCJYQJ-SREVYHEPSA-N 1 2 335.451 3.244 10 10 EGCELO C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(F)cc(F)c1O ZINC000927015533 1327821438 /nfs/dbraw/zinc/82/14/38/1327821438.db2.gz RBIGHCQBXSJSBJ-YPMHNXCESA-N 1 2 327.371 3.049 10 10 EGCELO CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000863542017 1329561822 /nfs/dbraw/zinc/56/18/22/1329561822.db2.gz DGIHAHIJCXHNDT-OXHMUOHRSA-N 1 2 331.229 3.085 10 10 EGCELO F[C@@H]1COc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000866240957 1330084132 /nfs/dbraw/zinc/08/41/32/1330084132.db2.gz RQTXSCVDWOYSJS-UYAOXDASSA-N 1 2 342.414 3.085 10 10 EGCELO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2O)CCN1 ZINC000179784274 455078619 /nfs/dbraw/zinc/07/86/19/455078619.db2.gz OBTIOBBULXRALS-INIZCTEOSA-N 1 2 330.815 3.109 10 10 EGCELO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2O)CCN1 ZINC000179784274 455078622 /nfs/dbraw/zinc/07/86/22/455078622.db2.gz OBTIOBBULXRALS-INIZCTEOSA-N 1 2 330.815 3.109 10 10 EGCELO Cc1nnc([C@H]([NH2+][C@H](C)c2ccc(F)cc2O)c2ccccc2)[nH]1 ZINC000185324384 455539967 /nfs/dbraw/zinc/53/99/67/455539967.db2.gz RXXJLWQCXVNJNG-PIGZYNQJSA-N 1 2 326.375 3.398 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247282068 455583122 /nfs/dbraw/zinc/58/31/22/455583122.db2.gz YQHRCTSMHBSJDX-OLZOCXBDSA-N 1 2 334.268 3.405 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247282068 455583124 /nfs/dbraw/zinc/58/31/24/455583124.db2.gz YQHRCTSMHBSJDX-OLZOCXBDSA-N 1 2 334.268 3.405 10 10 EGCELO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)C12CCOCC2 ZINC000186455207 455772687 /nfs/dbraw/zinc/77/26/87/455772687.db2.gz NNBNDNHPXLDUNT-CABCVRRESA-N 1 2 325.836 3.109 10 10 EGCELO CC(C)OCc1nc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)no1 ZINC000293512298 455788803 /nfs/dbraw/zinc/78/88/03/455788803.db2.gz AFAVUJRHVCRSDZ-VIFPVBQESA-N 1 2 343.786 3.344 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000294315168 455811782 /nfs/dbraw/zinc/81/17/82/455811782.db2.gz QSNSCNQRZDYIMK-UHFFFAOYSA-N 1 2 340.748 3.301 10 10 EGCELO CC(C)C(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000236770793 456181792 /nfs/dbraw/zinc/18/17/92/456181792.db2.gz GWPZIZAYVZUZMM-UHFFFAOYSA-N 1 2 345.270 3.436 10 10 EGCELO Cc1cc(N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)nc[nH+]1 ZINC000301856361 456233737 /nfs/dbraw/zinc/23/37/37/456233737.db2.gz RIBUAYHOFVFIJW-GOSISDBHSA-N 1 2 326.444 3.037 10 10 EGCELO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1O ZINC000367547750 457962315 /nfs/dbraw/zinc/96/23/15/457962315.db2.gz ACEHNXOPEAVWRP-DYVFJYSZSA-N 1 2 348.878 3.489 10 10 EGCELO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2O)CN1 ZINC000367542804 457962474 /nfs/dbraw/zinc/96/24/74/457962474.db2.gz SQQRMJHFTZDEAO-IINYFYTJSA-N 1 2 343.254 3.190 10 10 EGCELO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2O)CN1 ZINC000367542804 457962479 /nfs/dbraw/zinc/96/24/79/457962479.db2.gz SQQRMJHFTZDEAO-IINYFYTJSA-N 1 2 343.254 3.190 10 10 EGCELO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000866634782 1330136324 /nfs/dbraw/zinc/13/63/24/1330136324.db2.gz JACCAXAKFQGFSR-LPEHRKFASA-N 1 2 334.229 3.494 10 10 EGCELO CCN(CC)c1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1F ZINC001333736562 1390388071 /nfs/dbraw/zinc/38/80/71/1390388071.db2.gz UHTFTPQJQRWMGX-UHFFFAOYSA-N 1 2 346.450 3.228 10 10 EGCELO Oc1c(CN2CC[NH+](Cc3ccccc3)CC2)ccc2cccnc21 ZINC000022884708 212331680 /nfs/dbraw/zinc/33/16/80/212331680.db2.gz PWSBESQKEQTQNB-UHFFFAOYSA-N 1 2 333.435 3.258 10 10 EGCELO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000089782876 454198438 /nfs/dbraw/zinc/19/84/38/454198438.db2.gz QDYJQBCDOKCQII-QZTJIDSGSA-N 1 2 346.358 3.449 10 10 EGCELO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(F)c(F)c1O ZINC000191199258 455462627 /nfs/dbraw/zinc/46/26/27/455462627.db2.gz MCCVLLSVAFDPFZ-LLVKDONJSA-N 1 2 330.338 3.102 10 10 EGCELO COc1cccc(CNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)c1O ZINC000271635274 455706953 /nfs/dbraw/zinc/70/69/53/455706953.db2.gz ONPZSXSSAFBPKN-ZDUSSCGKSA-N 1 2 328.416 3.039 10 10 EGCELO COc1cccc(CNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)c1O ZINC000271635274 455706958 /nfs/dbraw/zinc/70/69/58/455706958.db2.gz ONPZSXSSAFBPKN-ZDUSSCGKSA-N 1 2 328.416 3.039 10 10 EGCELO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)c(F)c1O ZINC000249033341 455741895 /nfs/dbraw/zinc/74/18/95/455741895.db2.gz BRWKPVDSEGDFRX-MMPTUQATSA-N 1 2 329.412 3.376 10 10 EGCELO CN(C)c1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c(C(F)(F)F)c1 ZINC000294672917 455823955 /nfs/dbraw/zinc/82/39/55/455823955.db2.gz AXRLNAPGTIEKKB-UHFFFAOYSA-N 1 2 339.365 3.057 10 10 EGCELO CCC[NH+](CCC)c1ccc(CN2CCOC[C@@H]2c2ncon2)cc1 ZINC000369830991 457421104 /nfs/dbraw/zinc/42/11/04/457421104.db2.gz IOXRNZPAGVNALM-GOSISDBHSA-N 1 2 344.459 3.270 10 10 EGCELO Cc1cn2c([nH+]1)CN(C(=O)c1sccc1-n1c(C)ccc1C)CC2 ZINC000363708090 457422830 /nfs/dbraw/zinc/42/28/30/457422830.db2.gz CTUHHRVKBUKZQD-UHFFFAOYSA-N 1 2 340.452 3.317 10 10 EGCELO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2noc(CC)n2)c1O ZINC000361156004 457618380 /nfs/dbraw/zinc/61/83/80/457618380.db2.gz FCQZHHHXLCCDLO-CQSZACIVSA-N 1 2 331.416 3.464 10 10 EGCELO CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2noc(CC)n2)c1O ZINC000361156004 457618385 /nfs/dbraw/zinc/61/83/85/457618385.db2.gz FCQZHHHXLCCDLO-CQSZACIVSA-N 1 2 331.416 3.464 10 10 EGCELO C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1O ZINC000530215553 458719514 /nfs/dbraw/zinc/71/95/14/458719514.db2.gz HLXOSLXESGQWIF-XPTSAGLGSA-N 1 2 343.240 3.229 10 10 EGCELO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1O ZINC000530215553 458719518 /nfs/dbraw/zinc/71/95/18/458719518.db2.gz HLXOSLXESGQWIF-XPTSAGLGSA-N 1 2 343.240 3.229 10 10 EGCELO C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1[O-] ZINC000530215553 458719521 /nfs/dbraw/zinc/71/95/21/458719521.db2.gz HLXOSLXESGQWIF-XPTSAGLGSA-N 1 2 343.240 3.229 10 10 EGCELO CC[N@@H+]1CCN(Cc2cc(Cl)cc(Br)c2O)C[C@H]1C ZINC000708141611 1298237153 /nfs/dbraw/zinc/23/71/53/1298237153.db2.gz SVQAAVPYFOESMA-SNVBAGLBSA-N 1 2 347.684 3.334 10 10 EGCELO CC[N@H+]1CCN(Cc2cc(Cl)cc(Br)c2O)C[C@H]1C ZINC000708141611 1298237163 /nfs/dbraw/zinc/23/71/63/1298237163.db2.gz SVQAAVPYFOESMA-SNVBAGLBSA-N 1 2 347.684 3.334 10 10 EGCELO c1cc(N2CCSCC2)ccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000892611885 1305470052 /nfs/dbraw/zinc/47/00/52/1305470052.db2.gz BZVZSWSAZMHVCV-UHFFFAOYSA-N 1 2 346.525 3.259 10 10 EGCELO Oc1c(Br)cccc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895871119 1309573101 /nfs/dbraw/zinc/57/31/01/1309573101.db2.gz ZDHZUCCIZRYVHA-UHFFFAOYSA-N 1 2 340.261 3.330 10 10 EGCELO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004313809 210167922 /nfs/dbraw/zinc/16/79/22/210167922.db2.gz WEKACGMBIJABEO-KRWDZBQOSA-N 1 2 332.363 3.219 10 10 EGCELO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004313809 210167923 /nfs/dbraw/zinc/16/79/23/210167923.db2.gz WEKACGMBIJABEO-KRWDZBQOSA-N 1 2 332.363 3.219 10 10 EGCELO Cn1ncc2c1nc[nH+]c2N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000014300492 453530160 /nfs/dbraw/zinc/53/01/60/453530160.db2.gz PPLJYBMHJZENCB-UHFFFAOYSA-N 1 2 330.395 3.138 10 10 EGCELO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1F ZINC000127169286 454943098 /nfs/dbraw/zinc/94/30/98/454943098.db2.gz XSMWEMXAUOHILI-IBGZPJMESA-N 1 2 330.403 3.171 10 10 EGCELO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1F ZINC000127169286 454943101 /nfs/dbraw/zinc/94/31/01/454943101.db2.gz XSMWEMXAUOHILI-IBGZPJMESA-N 1 2 330.403 3.171 10 10 EGCELO Cc1cc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000179645576 455063814 /nfs/dbraw/zinc/06/38/14/455063814.db2.gz VAZDBDMDSNNXRS-UHFFFAOYSA-N 1 2 349.818 3.193 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128532730 455065103 /nfs/dbraw/zinc/06/51/03/455065103.db2.gz JQBRNSUBPCSGPC-LLVKDONJSA-N 1 2 341.242 3.203 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128532730 455065106 /nfs/dbraw/zinc/06/51/06/455065106.db2.gz JQBRNSUBPCSGPC-LLVKDONJSA-N 1 2 341.242 3.203 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H](c3ccc(C)o3)C2)c1O ZINC000158967362 455341638 /nfs/dbraw/zinc/34/16/38/455341638.db2.gz XVEGKFZTJKKHLV-KRWDZBQOSA-N 1 2 333.359 3.209 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H](c3ccc(C)o3)C2)c1O ZINC000158967362 455341641 /nfs/dbraw/zinc/34/16/41/455341641.db2.gz XVEGKFZTJKKHLV-KRWDZBQOSA-N 1 2 333.359 3.209 10 10 EGCELO O=C(NCCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1cccs1 ZINC000293699556 455794282 /nfs/dbraw/zinc/79/42/82/455794282.db2.gz SYXYSNKMNWRAAU-UHFFFAOYSA-N 1 2 342.823 3.156 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1O ZINC000289057866 456112911 /nfs/dbraw/zinc/11/29/11/456112911.db2.gz QXSLSDMMWPZQPX-UHFFFAOYSA-N 1 2 343.354 3.107 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1O ZINC000289057866 456112917 /nfs/dbraw/zinc/11/29/17/456112917.db2.gz QXSLSDMMWPZQPX-UHFFFAOYSA-N 1 2 343.354 3.107 10 10 EGCELO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000273415952 456228266 /nfs/dbraw/zinc/22/82/66/456228266.db2.gz QYADXNRTBJUNQA-ZDUSSCGKSA-N 1 2 344.415 3.392 10 10 EGCELO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(Br)c1O ZINC000708215158 1298237692 /nfs/dbraw/zinc/23/76/92/1298237692.db2.gz IJAAFHUJSXRPAM-TXEJJXNPSA-N 1 2 345.668 3.087 10 10 EGCELO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(Br)c1O ZINC000708215158 1298237702 /nfs/dbraw/zinc/23/77/02/1298237702.db2.gz IJAAFHUJSXRPAM-TXEJJXNPSA-N 1 2 345.668 3.087 10 10 EGCELO Oc1c(F)cc(Br)cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000894665469 1309012364 /nfs/dbraw/zinc/01/23/64/1309012364.db2.gz BOQZTGCFQKRZKA-UHFFFAOYSA-N 1 2 344.224 3.152 10 10 EGCELO COc1ccc(N2CCC[N@H+](Cc3nc(C(C)C)ns3)CC2)cc1 ZINC000929316073 1328565944 /nfs/dbraw/zinc/56/59/44/1328565944.db2.gz OMWDMCAPWFWQSJ-UHFFFAOYSA-N 1 2 346.500 3.382 10 10 EGCELO COc1ccc(N2CCC[N@@H+](Cc3nc(C(C)C)ns3)CC2)cc1 ZINC000929316073 1328565947 /nfs/dbraw/zinc/56/59/47/1328565947.db2.gz OMWDMCAPWFWQSJ-UHFFFAOYSA-N 1 2 346.500 3.382 10 10 EGCELO CC[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000925790990 1325303148 /nfs/dbraw/zinc/30/31/48/1325303148.db2.gz JWXZBXCYTINSCV-GOEBONIOSA-N 1 2 338.879 3.245 10 10 EGCELO C[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2ccccc2c1O ZINC000925790408 1325303230 /nfs/dbraw/zinc/30/32/30/1325303230.db2.gz FUTWLFZHNZOGKZ-RDJZCZTQSA-N 1 2 340.467 3.355 10 10 EGCELO Cc1cc(C2([NH2+]Cc3cc(Cl)cc(F)c3O)CCOCC2)on1 ZINC000862542547 1329494696 /nfs/dbraw/zinc/49/46/96/1329494696.db2.gz SGLOOPRVUUUJJZ-UHFFFAOYSA-N 1 2 340.782 3.277 10 10 EGCELO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000866634779 1330136342 /nfs/dbraw/zinc/13/63/42/1330136342.db2.gz JACCAXAKFQGFSR-IVZWLZJFSA-N 1 2 334.229 3.494 10 10 EGCELO C[C@H]1CCC[C@](CO)([NH2+]Cc2cccc(Br)c2O)C1 ZINC000053117564 214164414 /nfs/dbraw/zinc/16/44/14/214164414.db2.gz RJSRXXDVRLGEKH-NHYWBVRUSA-N 1 2 328.250 3.186 10 10 EGCELO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000184694994 455429398 /nfs/dbraw/zinc/42/93/98/455429398.db2.gz AYRSXKGJDLTVNX-QGZVFWFLSA-N 1 2 349.814 3.333 10 10 EGCELO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000184694994 455429401 /nfs/dbraw/zinc/42/94/01/455429401.db2.gz AYRSXKGJDLTVNX-QGZVFWFLSA-N 1 2 349.814 3.333 10 10 EGCELO C[C@H]1CCCN(c2ccc(CNC(=O)Cn3cc[nH+]c3)cc2Cl)C1 ZINC000281915521 456360361 /nfs/dbraw/zinc/36/03/61/456360361.db2.gz ABZDGPBSRQRQHS-AWEZNQCLSA-N 1 2 346.862 3.089 10 10 EGCELO CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(Cl)cc(Cl)c1O ZINC000527958840 459782743 /nfs/dbraw/zinc/78/27/43/459782743.db2.gz XAZHKCPJCKLCDH-BFHYXJOUSA-N 1 2 334.243 3.280 10 10 EGCELO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000529645962 459831839 /nfs/dbraw/zinc/83/18/39/459831839.db2.gz XUPVREZDTAXODY-INIZCTEOSA-N 1 2 346.858 3.418 10 10 EGCELO CCN1C(=O)/C(=C/c2[nH+]ccn2Cc2ccccc2)SC1=S ZINC000734096489 575439533 /nfs/dbraw/zinc/43/95/33/575439533.db2.gz NIIRZYURTRJOOJ-RAXLEYEMSA-N 1 2 329.450 3.153 10 10 EGCELO C[C@H]1CC[C@@H]([NH3+])CN1Cc1cc(Cl)cc(Br)c1O ZINC000708133123 1298236002 /nfs/dbraw/zinc/23/60/02/1298236002.db2.gz HQEBFYIJNUTQDS-GZMMTYOYSA-N 1 2 333.657 3.120 10 10 EGCELO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000895476856 1309357959 /nfs/dbraw/zinc/35/79/59/1309357959.db2.gz BZNYJOMTDHUCPM-SNVBAGLBSA-N 1 2 348.668 3.401 10 10 EGCELO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000895476856 1309357970 /nfs/dbraw/zinc/35/79/70/1309357970.db2.gz BZNYJOMTDHUCPM-SNVBAGLBSA-N 1 2 348.668 3.401 10 10 EGCELO C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(F)cc(F)c1O ZINC000858528810 1328788814 /nfs/dbraw/zinc/78/88/14/1328788814.db2.gz FQOLIWYODMSZFS-QFYYESIMSA-N 1 2 332.350 3.148 10 10 EGCELO CN(C)c1[nH+]ccc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc21 ZINC001298099775 1383358140 /nfs/dbraw/zinc/35/81/40/1383358140.db2.gz YYKBGQWFCSKXLV-YWEYNIOJSA-N 1 2 349.390 3.364 10 10 EGCELO COc1ccc(N(C)CC[N@H+](C)Cc2nc(CCC(C)C)no2)cc1 ZINC001171729003 1384616644 /nfs/dbraw/zinc/61/66/44/1384616644.db2.gz DJPPMWNXYBPKSR-UHFFFAOYSA-N 1 2 346.475 3.235 10 10 EGCELO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(CCC(C)C)no2)cc1 ZINC001171729003 1384616649 /nfs/dbraw/zinc/61/66/49/1384616649.db2.gz DJPPMWNXYBPKSR-UHFFFAOYSA-N 1 2 346.475 3.235 10 10 EGCELO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1O ZINC000156482280 455123542 /nfs/dbraw/zinc/12/35/42/455123542.db2.gz FLQYCPPQOOLTCM-ZWNOBZJWSA-N 1 2 333.259 3.070 10 10 EGCELO Cc1cc(Cl)cc(CN2CC[NH+](Cc3ccncc3)CC2)c1O ZINC000182044102 455423221 /nfs/dbraw/zinc/42/32/21/455423221.db2.gz RETDNBFJVRORNO-UHFFFAOYSA-N 1 2 331.847 3.067 10 10 EGCELO COc1c(O)c(CNc2ccc3c(c2)CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000278463869 455836423 /nfs/dbraw/zinc/83/64/23/455836423.db2.gz FRPIKHLWQOKAML-UHFFFAOYSA-N 1 2 343.383 3.304 10 10 EGCELO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nnc2n1CCCCC2 ZINC000372776884 458332191 /nfs/dbraw/zinc/33/21/91/458332191.db2.gz QMGFXVZFIVWRBN-JTQLQIEISA-N 1 2 338.814 3.353 10 10 EGCELO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000529645963 459831920 /nfs/dbraw/zinc/83/19/20/459831920.db2.gz XUPVREZDTAXODY-MRXNPFEDSA-N 1 2 346.858 3.418 10 10 EGCELO Oc1c(Br)cc(Cl)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000708139176 1298235634 /nfs/dbraw/zinc/23/56/34/1298235634.db2.gz FWHSJOARLJDUJV-LBPRGKRZSA-N 1 2 345.668 3.088 10 10 EGCELO Oc1c(Br)cc(Cl)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000708139176 1298235646 /nfs/dbraw/zinc/23/56/46/1298235646.db2.gz FWHSJOARLJDUJV-LBPRGKRZSA-N 1 2 345.668 3.088 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000894088564 1306211388 /nfs/dbraw/zinc/21/13/88/1306211388.db2.gz LSUHRMCPTKDHMM-HZMBPMFUSA-N 1 2 344.224 3.295 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000894088564 1306211390 /nfs/dbraw/zinc/21/13/90/1306211390.db2.gz LSUHRMCPTKDHMM-HZMBPMFUSA-N 1 2 344.224 3.295 10 10 EGCELO C[C@H](O)[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccc1F ZINC000858185801 1328706622 /nfs/dbraw/zinc/70/66/22/1328706622.db2.gz YLEQVVDUGUNXJB-VOJFVSQTSA-N 1 2 338.373 3.382 10 10 EGCELO CCn1ncc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000858443110 1328763233 /nfs/dbraw/zinc/76/32/33/1328763233.db2.gz GEZGKNJEYZCYDH-CQSZACIVSA-N 1 2 331.439 3.278 10 10 EGCELO Oc1cccc(Br)c1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000862391288 1329481441 /nfs/dbraw/zinc/48/14/41/1329481441.db2.gz BLXHJSFBWCPGOX-OAHLLOKOSA-N 1 2 326.234 3.156 10 10 EGCELO Oc1cccc(Br)c1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000862391288 1329481443 /nfs/dbraw/zinc/48/14/43/1329481443.db2.gz BLXHJSFBWCPGOX-OAHLLOKOSA-N 1 2 326.234 3.156 10 10 EGCELO Oc1cccc(Br)c1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000862391287 1329481526 /nfs/dbraw/zinc/48/15/26/1329481526.db2.gz BLXHJSFBWCPGOX-HNNXBMFYSA-N 1 2 326.234 3.156 10 10 EGCELO Oc1cccc(Br)c1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000862391287 1329481529 /nfs/dbraw/zinc/48/15/29/1329481529.db2.gz BLXHJSFBWCPGOX-HNNXBMFYSA-N 1 2 326.234 3.156 10 10 EGCELO Cc1cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)c(C)n1-c1ccccn1 ZINC001156891264 1380719504 /nfs/dbraw/zinc/71/95/04/1380719504.db2.gz DPBICRGQSNTGDY-UHFFFAOYSA-N 1 2 349.438 3.021 10 10 EGCELO COc1ccc([NH+]2CCC(N(C)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000069455376 454107839 /nfs/dbraw/zinc/10/78/39/454107839.db2.gz QKSBZUOMNKOREW-UHFFFAOYSA-N 1 2 342.399 3.104 10 10 EGCELO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1F ZINC000127169514 454942856 /nfs/dbraw/zinc/94/28/56/454942856.db2.gz XSMWEMXAUOHILI-LJQANCHMSA-N 1 2 330.403 3.171 10 10 EGCELO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1F ZINC000127169514 454942861 /nfs/dbraw/zinc/94/28/61/454942861.db2.gz XSMWEMXAUOHILI-LJQANCHMSA-N 1 2 330.403 3.171 10 10 EGCELO Cc1cc[nH+]c(C)c1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000287451485 456070038 /nfs/dbraw/zinc/07/00/38/456070038.db2.gz IDWYRYZCYFYZFP-UHFFFAOYSA-N 1 2 326.400 3.195 10 10 EGCELO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)CC)cc2)no1 ZINC000289585056 456130985 /nfs/dbraw/zinc/13/09/85/456130985.db2.gz AQZYSTAJZBQGJN-ZIAGYGMSSA-N 1 2 332.448 3.474 10 10 EGCELO Cn1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccc(F)cc2)n1 ZINC000374520146 457647272 /nfs/dbraw/zinc/64/72/72/457647272.db2.gz IHPSSYJTTQWXMB-FQEVSTJZSA-N 1 2 337.398 3.373 10 10 EGCELO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1O ZINC000367547752 457962953 /nfs/dbraw/zinc/96/29/53/457962953.db2.gz ACEHNXOPEAVWRP-SUMWQHHRSA-N 1 2 348.878 3.489 10 10 EGCELO Cc1cc(C(=O)C[N@@H+](C)CC[C@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000744406697 576827524 /nfs/dbraw/zinc/82/75/24/576827524.db2.gz NQLAIGVXGRIOMN-AWEZNQCLSA-N 1 2 332.419 3.119 10 10 EGCELO Cc1cc(C(=O)C[N@H+](C)CC[C@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000744406697 576827525 /nfs/dbraw/zinc/82/75/25/576827525.db2.gz NQLAIGVXGRIOMN-AWEZNQCLSA-N 1 2 332.419 3.119 10 10 EGCELO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874108054 1297790680 /nfs/dbraw/zinc/79/06/80/1297790680.db2.gz LGYOMIHNJPKOOZ-IAGOWNOFSA-N 1 2 326.444 3.016 10 10 EGCELO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874108054 1297790684 /nfs/dbraw/zinc/79/06/84/1297790684.db2.gz LGYOMIHNJPKOOZ-IAGOWNOFSA-N 1 2 326.444 3.016 10 10 EGCELO C[C@@H]1CC[C@@H]([NH3+])CN1Cc1cc(Cl)cc(Br)c1O ZINC000708133129 1298236260 /nfs/dbraw/zinc/23/62/60/1298236260.db2.gz HQEBFYIJNUTQDS-LDYMZIIASA-N 1 2 333.657 3.120 10 10 EGCELO COC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000715783895 1298286678 /nfs/dbraw/zinc/28/66/78/1298286678.db2.gz DTNQOYYDLNNVLJ-GFCCVEGCSA-N 1 2 332.213 3.295 10 10 EGCELO COC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000715783895 1298286686 /nfs/dbraw/zinc/28/66/86/1298286686.db2.gz DTNQOYYDLNNVLJ-GFCCVEGCSA-N 1 2 332.213 3.295 10 10 EGCELO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(F)cc(F)c1O ZINC000927015526 1327822008 /nfs/dbraw/zinc/82/20/08/1327822008.db2.gz RBIGHCQBXSJSBJ-WCQYABFASA-N 1 2 327.371 3.049 10 10 EGCELO Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1-n1cc[nH+]c1 ZINC001136624936 1377410617 /nfs/dbraw/zinc/41/06/17/1377410617.db2.gz QJFGPEITDYYCOR-XVNBXDOJSA-N 1 2 335.363 3.244 10 10 EGCELO COc1cc(C)cc(C[N@@H+]2CCOC[C@H]2c2cccc(F)c2)c1O ZINC001330663633 1389489025 /nfs/dbraw/zinc/48/90/25/1389489025.db2.gz ABLSLWOAJBEAJG-KRWDZBQOSA-N 1 2 331.387 3.422 10 10 EGCELO COc1cc(C)cc(C[N@H+]2CCOC[C@H]2c2cccc(F)c2)c1O ZINC001330663633 1389489028 /nfs/dbraw/zinc/48/90/28/1389489028.db2.gz ABLSLWOAJBEAJG-KRWDZBQOSA-N 1 2 331.387 3.422 10 10 EGCELO COc1ccc(-c2nc(C[N@H+](C)Cc3ccccc3O)no2)cc1 ZINC000111235670 454859539 /nfs/dbraw/zinc/85/95/39/454859539.db2.gz KZROHSHRHAYGSW-UHFFFAOYSA-N 1 2 325.368 3.083 10 10 EGCELO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000180041830 455121048 /nfs/dbraw/zinc/12/10/48/455121048.db2.gz RNCNXEUJGPYYDH-HNNXBMFYSA-N 1 2 330.407 3.186 10 10 EGCELO Oc1ccc(F)cc1C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000180041830 455121051 /nfs/dbraw/zinc/12/10/51/455121051.db2.gz RNCNXEUJGPYYDH-HNNXBMFYSA-N 1 2 330.407 3.186 10 10 EGCELO COc1ccc(O)c(C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000181803246 455384542 /nfs/dbraw/zinc/38/45/42/455384542.db2.gz RUCMSKFRVMOQSO-UHFFFAOYSA-N 1 2 329.400 3.220 10 10 EGCELO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000185324479 455540053 /nfs/dbraw/zinc/54/00/53/455540053.db2.gz WYNRMQVZSBUJLS-XIKOKIGWSA-N 1 2 338.411 3.268 10 10 EGCELO CCN(CC)c1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000248830024 455733357 /nfs/dbraw/zinc/73/33/57/455733357.db2.gz HTJIOTARGSOUDR-MSOLQXFVSA-N 1 2 344.459 3.186 10 10 EGCELO CCN(CC)c1ccc(C[N@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000248830024 455733361 /nfs/dbraw/zinc/73/33/61/455733361.db2.gz HTJIOTARGSOUDR-MSOLQXFVSA-N 1 2 344.459 3.186 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000294550947 455819042 /nfs/dbraw/zinc/81/90/42/455819042.db2.gz FGNLVQXNCVJRLJ-UHFFFAOYSA-N 1 2 341.839 3.400 10 10 EGCELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cccc(Cl)c1O)C[C@H](C)O2 ZINC000366813510 457901276 /nfs/dbraw/zinc/90/12/76/457901276.db2.gz WNEZAPXYQQVQQA-IIYDPXPESA-N 1 2 325.836 3.204 10 10 EGCELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cccc(Cl)c1O)C[C@H](C)O2 ZINC000366813510 457901281 /nfs/dbraw/zinc/90/12/81/457901281.db2.gz WNEZAPXYQQVQQA-IIYDPXPESA-N 1 2 325.836 3.204 10 10 EGCELO CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000894813656 1309085104 /nfs/dbraw/zinc/08/51/04/1309085104.db2.gz CCXAQSOAOVKTBV-LLVKDONJSA-N 1 2 334.641 3.153 10 10 EGCELO CC1(C)[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000894813656 1309085115 /nfs/dbraw/zinc/08/51/15/1309085115.db2.gz CCXAQSOAOVKTBV-LLVKDONJSA-N 1 2 334.641 3.153 10 10 EGCELO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@H](C(F)(F)F)O1 ZINC000895477017 1309358796 /nfs/dbraw/zinc/35/87/96/1309358796.db2.gz PGUMFKYXRBGOBY-PRHODGIISA-N 1 2 325.277 3.212 10 10 EGCELO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@H](C(F)(F)F)O1 ZINC000895477017 1309358807 /nfs/dbraw/zinc/35/88/07/1309358807.db2.gz PGUMFKYXRBGOBY-PRHODGIISA-N 1 2 325.277 3.212 10 10 EGCELO COc1ccc(N2CC[NH+]([C@H](C)c3ccc(F)nc3)CC2)cc1F ZINC000929824595 1328711386 /nfs/dbraw/zinc/71/13/86/1328711386.db2.gz XFTVNWSFOZYTLS-CYBMUJFWSA-N 1 2 333.382 3.252 10 10 EGCELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC000092096330 454520815 /nfs/dbraw/zinc/52/08/15/454520815.db2.gz YRZGREUQBZNRML-YUELXQCFSA-N 1 2 346.254 3.467 10 10 EGCELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC000092096330 454520819 /nfs/dbraw/zinc/52/08/19/454520819.db2.gz YRZGREUQBZNRML-YUELXQCFSA-N 1 2 346.254 3.467 10 10 EGCELO Oc1cccc([C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)CCO2)c1 ZINC000191371781 455481563 /nfs/dbraw/zinc/48/15/63/455481563.db2.gz AFLXAGGFMXEHOH-INIZCTEOSA-N 1 2 337.778 3.464 10 10 EGCELO Oc1cccc([C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)CCO2)c1 ZINC000191371781 455481569 /nfs/dbraw/zinc/48/15/69/455481569.db2.gz AFLXAGGFMXEHOH-INIZCTEOSA-N 1 2 337.778 3.464 10 10 EGCELO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175653125 455477249 /nfs/dbraw/zinc/47/72/49/455477249.db2.gz AOPUMNUKXKRPRP-MRXNPFEDSA-N 1 2 345.418 3.330 10 10 EGCELO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175653125 455477253 /nfs/dbraw/zinc/47/72/53/455477253.db2.gz AOPUMNUKXKRPRP-MRXNPFEDSA-N 1 2 345.418 3.330 10 10 EGCELO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCN1Cc1ccc(F)cc1 ZINC000191807353 455522082 /nfs/dbraw/zinc/52/20/82/455522082.db2.gz VJKLREGZGRQEQU-INIZCTEOSA-N 1 2 348.805 3.075 10 10 EGCELO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(F)c(F)c1O ZINC000187766603 455950017 /nfs/dbraw/zinc/95/00/17/455950017.db2.gz MHWMIRFNCQBPHM-GXFFZTMASA-N 1 2 332.350 3.447 10 10 EGCELO CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1O ZINC000527951713 459780673 /nfs/dbraw/zinc/78/06/73/459780673.db2.gz DGHWHHORLMMOAD-YNEHKIRRSA-N 1 2 334.243 3.280 10 10 EGCELO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cccc(Br)c1O ZINC000728782436 574770839 /nfs/dbraw/zinc/77/08/39/574770839.db2.gz ODQKIZUDFOPNFE-ZDUSSCGKSA-N 1 2 349.228 3.423 10 10 EGCELO O=C(C1CCCCC1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000120494128 1293323661 /nfs/dbraw/zinc/32/36/61/1293323661.db2.gz NSYHKXFZXPJHOK-UHFFFAOYSA-N 1 2 336.863 3.270 10 10 EGCELO C[N@@H+](Cc1cc(Br)cc(F)c1O)CC1CCOCC1 ZINC000715735785 1298283960 /nfs/dbraw/zinc/28/39/60/1298283960.db2.gz AYKLFEISGSLQQG-UHFFFAOYSA-N 1 2 332.213 3.152 10 10 EGCELO C[N@H+](Cc1cc(Br)cc(F)c1O)CC1CCOCC1 ZINC000715735785 1298283968 /nfs/dbraw/zinc/28/39/68/1298283968.db2.gz AYKLFEISGSLQQG-UHFFFAOYSA-N 1 2 332.213 3.152 10 10 EGCELO CCn1ncc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000858443107 1328763516 /nfs/dbraw/zinc/76/35/16/1328763516.db2.gz GEZGKNJEYZCYDH-AWEZNQCLSA-N 1 2 331.439 3.278 10 10 EGCELO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)C2(CCC2)CO1 ZINC000862403919 1329483648 /nfs/dbraw/zinc/48/36/48/1329483648.db2.gz XVAKKXVMCDBOAD-NSHDSACASA-N 1 2 326.234 3.298 10 10 EGCELO C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C2(CCC2)CO1 ZINC000862403919 1329483651 /nfs/dbraw/zinc/48/36/51/1329483651.db2.gz XVAKKXVMCDBOAD-NSHDSACASA-N 1 2 326.234 3.298 10 10 EGCELO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000866633265 1330136091 /nfs/dbraw/zinc/13/60/91/1330136091.db2.gz HDRZQSIYEXWBIE-ATZCPNFKSA-N 1 2 334.229 3.494 10 10 EGCELO Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1-n1cc[nH+]c1 ZINC001136624935 1377410530 /nfs/dbraw/zinc/41/05/30/1377410530.db2.gz QJFGPEITDYYCOR-CLTKARDFSA-N 1 2 335.363 3.244 10 10 EGCELO Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001146198628 1378793579 /nfs/dbraw/zinc/79/35/79/1378793579.db2.gz YILKYFYCNDPGKQ-UHFFFAOYSA-N 1 2 348.450 3.106 10 10 EGCELO Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc(C)[nH+]1 ZINC001328877057 1388893109 /nfs/dbraw/zinc/89/31/09/1388893109.db2.gz JYYABRPZBXZVJO-UHFFFAOYSA-N 1 2 340.210 3.454 10 10 EGCELO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187777313 455951199 /nfs/dbraw/zinc/95/11/99/455951199.db2.gz RSAPOZOUMYZCAR-GHMZBOCLSA-N 1 2 336.386 3.051 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3c[nH]cn3)CC2)c1O ZINC000374208033 457522990 /nfs/dbraw/zinc/52/29/90/457522990.db2.gz KRJOZWAQFTUXNP-UHFFFAOYSA-N 1 2 333.819 3.351 10 10 EGCELO OCC1([NH2+]Cc2cc(Cl)cc(Cl)c2O)Cc2ccccc2C1 ZINC000734845780 575559930 /nfs/dbraw/zinc/55/99/30/575559930.db2.gz GEDVFGOAIKFAEK-UHFFFAOYSA-N 1 2 338.234 3.319 10 10 EGCELO CCCO[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715818176 1298289184 /nfs/dbraw/zinc/28/91/84/1298289184.db2.gz MTHOGWFMFCWMIF-GFCCVEGCSA-N 1 2 332.213 3.295 10 10 EGCELO CCCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715818176 1298289186 /nfs/dbraw/zinc/28/91/86/1298289186.db2.gz MTHOGWFMFCWMIF-GFCCVEGCSA-N 1 2 332.213 3.295 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000895461856 1309350773 /nfs/dbraw/zinc/35/07/73/1309350773.db2.gz PNVPWHZDZKNANP-ONGXEEELSA-N 1 2 346.265 3.479 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000895461856 1309350782 /nfs/dbraw/zinc/35/07/82/1309350782.db2.gz PNVPWHZDZKNANP-ONGXEEELSA-N 1 2 346.265 3.479 10 10 EGCELO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc(Cl)cc(F)c3O)O2)CO1 ZINC000895823280 1309537995 /nfs/dbraw/zinc/53/79/95/1309537995.db2.gz ZCTPGDCUWGKHDL-ZXIHIIQKSA-N 1 2 329.799 3.001 10 10 EGCELO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)cc(F)c3O)O2)CO1 ZINC000895823279 1309538440 /nfs/dbraw/zinc/53/84/40/1309538440.db2.gz ZCTPGDCUWGKHDL-HICWGWBUSA-N 1 2 329.799 3.001 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2ccnn2C)c1O ZINC000932267898 1329801808 /nfs/dbraw/zinc/80/18/08/1329801808.db2.gz HGFUIVJFUMNCLP-MRXNPFEDSA-N 1 2 333.819 3.319 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ccnn2C)c1O ZINC000932267898 1329801810 /nfs/dbraw/zinc/80/18/10/1329801810.db2.gz HGFUIVJFUMNCLP-MRXNPFEDSA-N 1 2 333.819 3.319 10 10 EGCELO COc1ccc([NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000069457614 454107796 /nfs/dbraw/zinc/10/77/96/454107796.db2.gz AVOFPXZWDLRXFE-UHFFFAOYSA-N 1 2 325.412 3.486 10 10 EGCELO COc1ccc(N2CC[NH+]([C@@H](C)c3nc(C(C)C)no3)CC2)cc1 ZINC000058179139 454168676 /nfs/dbraw/zinc/16/86/76/454168676.db2.gz HSWAFJODHDXJIF-AWEZNQCLSA-N 1 2 330.432 3.085 10 10 EGCELO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000248830025 455733317 /nfs/dbraw/zinc/73/33/17/455733317.db2.gz HTJIOTARGSOUDR-ROUUACIJSA-N 1 2 344.459 3.186 10 10 EGCELO CCN(CC)c1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000248830025 455733322 /nfs/dbraw/zinc/73/33/22/455733322.db2.gz HTJIOTARGSOUDR-ROUUACIJSA-N 1 2 344.459 3.186 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000295406939 455847990 /nfs/dbraw/zinc/84/79/90/455847990.db2.gz RGMAVKFJCVJIJC-CMPLNLGQSA-N 1 2 327.705 3.072 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000295406939 455847991 /nfs/dbraw/zinc/84/79/91/455847991.db2.gz RGMAVKFJCVJIJC-CMPLNLGQSA-N 1 2 327.705 3.072 10 10 EGCELO Cc1cc(N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)nc[nH+]1 ZINC000301856362 456233949 /nfs/dbraw/zinc/23/39/49/456233949.db2.gz RIBUAYHOFVFIJW-SFHVURJKSA-N 1 2 326.444 3.037 10 10 EGCELO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cccc(Cl)c1O)C[C@H](C)O2 ZINC000366813509 457901182 /nfs/dbraw/zinc/90/11/82/457901182.db2.gz WNEZAPXYQQVQQA-IGCXYCKISA-N 1 2 325.836 3.204 10 10 EGCELO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc(Cl)c1O)C[C@H](C)O2 ZINC000366813509 457901192 /nfs/dbraw/zinc/90/11/92/457901192.db2.gz WNEZAPXYQQVQQA-IGCXYCKISA-N 1 2 325.836 3.204 10 10 EGCELO C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1O ZINC000530215549 458720386 /nfs/dbraw/zinc/72/03/86/458720386.db2.gz HLXOSLXESGQWIF-LKFCYVNXSA-N 1 2 343.240 3.229 10 10 EGCELO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1O ZINC000530215549 458720390 /nfs/dbraw/zinc/72/03/90/458720390.db2.gz HLXOSLXESGQWIF-LKFCYVNXSA-N 1 2 343.240 3.229 10 10 EGCELO C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1[O-] ZINC000530215549 458720398 /nfs/dbraw/zinc/72/03/98/458720398.db2.gz HLXOSLXESGQWIF-LKFCYVNXSA-N 1 2 343.240 3.229 10 10 EGCELO O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000741070052 576652843 /nfs/dbraw/zinc/65/28/43/576652843.db2.gz QVXWDBVJQOPBMI-UHFFFAOYSA-N 1 2 333.395 3.032 10 10 EGCELO Oc1c(F)cc(Br)cc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923027800 1322677718 /nfs/dbraw/zinc/67/77/18/1322677718.db2.gz JDAJLWRWYWYVQZ-CYBMUJFWSA-N 1 2 344.224 3.485 10 10 EGCELO C[NH+](C)Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1Cl ZINC001161256403 1382354919 /nfs/dbraw/zinc/35/49/19/1382354919.db2.gz PAKNCGHFJDAYCV-UHFFFAOYSA-N 1 2 338.766 3.204 10 10 EGCELO CN(Cc1ccccc1O)C(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000069618546 454125774 /nfs/dbraw/zinc/12/57/74/454125774.db2.gz VDSZWNBXCCTOOP-UHFFFAOYSA-N 1 2 335.407 3.278 10 10 EGCELO COc1ccc(N2CC[NH+]([C@@H](C)c3nc(C(C)(C)C)no3)CC2)cc1 ZINC000058158580 454166675 /nfs/dbraw/zinc/16/66/75/454166675.db2.gz XVRSSYDVQSRDDB-AWEZNQCLSA-N 1 2 344.459 3.259 10 10 EGCELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1 ZINC000247283643 455582649 /nfs/dbraw/zinc/58/26/49/455582649.db2.gz YRZGREUQBZNRML-SNPRPXQTSA-N 1 2 346.254 3.467 10 10 EGCELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1 ZINC000247283643 455582651 /nfs/dbraw/zinc/58/26/51/455582651.db2.gz YRZGREUQBZNRML-SNPRPXQTSA-N 1 2 346.254 3.467 10 10 EGCELO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)C12CCOCC2 ZINC000186455155 455772936 /nfs/dbraw/zinc/77/29/36/455772936.db2.gz NNBNDNHPXLDUNT-LSDHHAIUSA-N 1 2 325.836 3.109 10 10 EGCELO Cc1cc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc[nH+]1 ZINC000732030969 575232466 /nfs/dbraw/zinc/23/24/66/575232466.db2.gz VNKICRSZMGHAIQ-UHFFFAOYSA-N 1 2 334.370 3.467 10 10 EGCELO Oc1c(Br)cccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000005800030 1291035372 /nfs/dbraw/zinc/03/53/72/1291035372.db2.gz ZZTXACHTNUVJES-UHFFFAOYSA-N 1 2 347.256 3.477 10 10 EGCELO Oc1ccc(Br)cc1C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000585117364 1298029595 /nfs/dbraw/zinc/02/95/95/1298029595.db2.gz ZKRQOSHLADIPFN-UHFFFAOYSA-N 1 2 348.244 3.315 10 10 EGCELO Oc1ccc(Br)cc1C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000585117364 1298029601 /nfs/dbraw/zinc/02/96/01/1298029601.db2.gz ZKRQOSHLADIPFN-UHFFFAOYSA-N 1 2 348.244 3.315 10 10 EGCELO CCN(CC)c1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC000895778655 1309514104 /nfs/dbraw/zinc/51/41/04/1309514104.db2.gz CCSZHAZBTDSSDH-UHFFFAOYSA-N 1 2 328.460 3.089 10 10 EGCELO CC(C)c1nsc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000930209458 1328812512 /nfs/dbraw/zinc/81/25/12/1328812512.db2.gz DOSDZIDIEROLJS-AWEZNQCLSA-N 1 2 346.500 3.349 10 10 EGCELO CCC1([NH+]2CCOCC2)CCN(Cc2c(O)cccc2Cl)CC1 ZINC000862535304 1329493567 /nfs/dbraw/zinc/49/35/67/1329493567.db2.gz INEWVDAZJOUASK-UHFFFAOYSA-N 1 2 338.879 3.122 10 10 EGCELO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1O ZINC000156482511 455123518 /nfs/dbraw/zinc/12/35/18/455123518.db2.gz FLQYCPPQOOLTCM-GXFFZTMASA-N 1 2 333.259 3.070 10 10 EGCELO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2O)CCN1 ZINC000179784288 455078642 /nfs/dbraw/zinc/07/86/42/455078642.db2.gz OBTIOBBULXRALS-MRXNPFEDSA-N 1 2 330.815 3.109 10 10 EGCELO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2O)CCN1 ZINC000179784288 455078644 /nfs/dbraw/zinc/07/86/44/455078644.db2.gz OBTIOBBULXRALS-MRXNPFEDSA-N 1 2 330.815 3.109 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000157544480 455206244 /nfs/dbraw/zinc/20/62/44/455206244.db2.gz KSEVJXONZZSASU-HNNXBMFYSA-N 1 2 335.400 3.369 10 10 EGCELO CCOC(=O)c1csc(CC[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000191512518 455493436 /nfs/dbraw/zinc/49/34/36/455493436.db2.gz GNGFAOQDURAKGY-UHFFFAOYSA-N 1 2 340.832 3.011 10 10 EGCELO O=C1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCN1Cc1ccc(F)cc1 ZINC000191807337 455521972 /nfs/dbraw/zinc/52/19/72/455521972.db2.gz VJKLREGZGRQEQU-MRXNPFEDSA-N 1 2 348.805 3.075 10 10 EGCELO COc1nccnc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000294174883 455806723 /nfs/dbraw/zinc/80/67/23/455806723.db2.gz JPUYRGHMGFIPLP-UHFFFAOYSA-N 1 2 326.444 3.108 10 10 EGCELO COc1nccnc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000294174883 455806725 /nfs/dbraw/zinc/80/67/25/455806725.db2.gz JPUYRGHMGFIPLP-UHFFFAOYSA-N 1 2 326.444 3.108 10 10 EGCELO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187777297 455950924 /nfs/dbraw/zinc/95/09/24/455950924.db2.gz RSAPOZOUMYZCAR-QWRGUYRKSA-N 1 2 336.386 3.051 10 10 EGCELO CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Cl)cc(Cl)c1O ZINC000287585746 456072692 /nfs/dbraw/zinc/07/26/92/456072692.db2.gz HRENQMNSSYXXOI-TVQRCGJNSA-N 1 2 329.231 3.420 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000378421939 457395404 /nfs/dbraw/zinc/39/54/04/457395404.db2.gz JQKNMHQLQJQANJ-WFASDCNBSA-N 1 2 332.227 3.127 10 10 EGCELO COc1cccc(C[N@@H+]2CCOc3ccc(N(C)C)cc3C2)c1OC ZINC000581789759 1298008579 /nfs/dbraw/zinc/00/85/79/1298008579.db2.gz MHDCJEDWTMUIOF-UHFFFAOYSA-N 1 2 342.439 3.164 10 10 EGCELO COc1cccc(C[N@H+]2CCOc3ccc(N(C)C)cc3C2)c1OC ZINC000581789759 1298008587 /nfs/dbraw/zinc/00/85/87/1298008587.db2.gz MHDCJEDWTMUIOF-UHFFFAOYSA-N 1 2 342.439 3.164 10 10 EGCELO C[C@H](O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000893995595 1306169275 /nfs/dbraw/zinc/16/92/75/1306169275.db2.gz XCHADAPWFKLALO-VIFPVBQESA-N 1 2 348.668 3.401 10 10 EGCELO CN(C)c1ccc(/C=C/C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)cc1 ZINC000857881206 1328613777 /nfs/dbraw/zinc/61/37/77/1328613777.db2.gz DOJTWHXTKCJYQJ-VOTSOKGWSA-N 1 2 335.451 3.244 10 10 EGCELO CN(C)c1ccc(/C=C/C[N@H+]2Cc3ccccc3N(C)C(=O)C2)cc1 ZINC000857881206 1328613783 /nfs/dbraw/zinc/61/37/83/1328613783.db2.gz DOJTWHXTKCJYQJ-VOTSOKGWSA-N 1 2 335.451 3.244 10 10 EGCELO CCCN1C(=O)/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000012539044 453369770 /nfs/dbraw/zinc/36/97/70/453369770.db2.gz DHSSUNSPNQJXRT-GXDHUFHOSA-N 1 2 329.450 3.484 10 10 EGCELO Oc1c(Cl)cccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000179611819 455061248 /nfs/dbraw/zinc/06/12/48/455061248.db2.gz LMSJGGLDPQZKCF-UHFFFAOYSA-N 1 2 342.830 3.468 10 10 EGCELO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1O ZINC000156482169 455123391 /nfs/dbraw/zinc/12/33/91/455123391.db2.gz FLQYCPPQOOLTCM-MFKMUULPSA-N 1 2 333.259 3.070 10 10 EGCELO CCN(CC)c1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190162571 455284540 /nfs/dbraw/zinc/28/45/40/455284540.db2.gz HTJIOTARGSOUDR-QZTJIDSGSA-N 1 2 344.459 3.186 10 10 EGCELO CCN(CC)c1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190162571 455284545 /nfs/dbraw/zinc/28/45/45/455284545.db2.gz HTJIOTARGSOUDR-QZTJIDSGSA-N 1 2 344.459 3.186 10 10 EGCELO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(F)c(F)c1O ZINC000191199243 455462724 /nfs/dbraw/zinc/46/27/24/455462724.db2.gz MCCVLLSVAFDPFZ-NSHDSACASA-N 1 2 330.338 3.102 10 10 EGCELO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000284198349 455650021 /nfs/dbraw/zinc/65/00/21/455650021.db2.gz BOERUNACIGVREV-SECBINFHSA-N 1 2 339.298 3.148 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000294350527 455812998 /nfs/dbraw/zinc/81/29/98/455812998.db2.gz SNVXUKNOLCWIPJ-UHFFFAOYSA-N 1 2 349.837 3.334 10 10 EGCELO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1O ZINC000287582984 456071893 /nfs/dbraw/zinc/07/18/93/456071893.db2.gz HMZDMFWAWCKEAP-GWCFXTLKSA-N 1 2 331.243 3.361 10 10 EGCELO CCOCc1nc([C@H](C)[NH2+]Cc2ccc(N(CC)CC)cc2)no1 ZINC000291050642 456510752 /nfs/dbraw/zinc/51/07/52/456510752.db2.gz ZUUNTGWEYCXXFL-AWEZNQCLSA-N 1 2 332.448 3.303 10 10 EGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000378421936 457394924 /nfs/dbraw/zinc/39/49/24/457394924.db2.gz JQKNMHQLQJQANJ-DOMZBBRYSA-N 1 2 332.227 3.127 10 10 EGCELO Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCCCC3)cc2)c[nH+]1 ZINC000895940425 1309602322 /nfs/dbraw/zinc/60/23/22/1309602322.db2.gz NSAZFNIZDVHJMH-UHFFFAOYSA-N 1 2 340.471 3.233 10 10 EGCELO COC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708076153 1298233981 /nfs/dbraw/zinc/23/39/81/1298233981.db2.gz SVUVDOKKCTVGMY-LLVKDONJSA-N 1 2 334.641 3.419 10 10 EGCELO COC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708076153 1298233977 /nfs/dbraw/zinc/23/39/77/1298233977.db2.gz SVUVDOKKCTVGMY-LLVKDONJSA-N 1 2 334.641 3.419 10 10 EGCELO C[C@H]1[C@@H]([NH3+])CCCN1Cc1cc(Cl)cc(Br)c1O ZINC000708125645 1298236310 /nfs/dbraw/zinc/23/63/10/1298236310.db2.gz WRBZRWNNMNWIOV-UFBFGSQYSA-N 1 2 333.657 3.120 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC=C(c3cnn(C)c3)C2)c1O ZINC000878904856 1300253337 /nfs/dbraw/zinc/25/33/37/1300253337.db2.gz DOAMNXZWBKAZRO-UHFFFAOYSA-N 1 2 345.830 3.271 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC=C(c3cnn(C)c3)C2)c1O ZINC000878904856 1300253343 /nfs/dbraw/zinc/25/33/43/1300253343.db2.gz DOAMNXZWBKAZRO-UHFFFAOYSA-N 1 2 345.830 3.271 10 10 EGCELO OCC1([C@H]([NH2+]Cc2cc(F)cc(F)c2O)c2ccncc2)CCC1 ZINC000895359003 1309298988 /nfs/dbraw/zinc/29/89/88/1309298988.db2.gz KAQCRFILAQSRDA-QGZVFWFLSA-N 1 2 334.366 3.059 10 10 EGCELO COc1ccc(N2CCC[N@H+](Cc3c(F)cncc3F)CC2)cc1 ZINC000929317019 1328566236 /nfs/dbraw/zinc/56/62/36/1328566236.db2.gz VBLMAIHNZLQKMS-UHFFFAOYSA-N 1 2 333.382 3.081 10 10 EGCELO COc1ccc(N2CCC[N@@H+](Cc3c(F)cncc3F)CC2)cc1 ZINC000929317019 1328566239 /nfs/dbraw/zinc/56/62/39/1328566239.db2.gz VBLMAIHNZLQKMS-UHFFFAOYSA-N 1 2 333.382 3.081 10 10 EGCELO OCC1CCN(c2ccc(CNc3cc[nH+]c(C4CC4)n3)cc2)CC1 ZINC000110238575 454843413 /nfs/dbraw/zinc/84/34/13/454843413.db2.gz YQEOIESNVMMVJU-UHFFFAOYSA-N 1 2 338.455 3.175 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000281232445 456173776 /nfs/dbraw/zinc/17/37/76/456173776.db2.gz CJWJPFOEXNFWJM-KRWDZBQOSA-N 1 2 331.391 3.195 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000281232445 456173780 /nfs/dbraw/zinc/17/37/80/456173780.db2.gz CJWJPFOEXNFWJM-KRWDZBQOSA-N 1 2 331.391 3.195 10 10 EGCELO C[C@@H]1CC[C@H]([NH3+])CN1Cc1cc(Cl)cc(Br)c1O ZINC000708133125 1298235180 /nfs/dbraw/zinc/23/51/80/1298235180.db2.gz HQEBFYIJNUTQDS-KCJUWKMLSA-N 1 2 333.657 3.120 10 10 EGCELO CCO[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715737416 1298286731 /nfs/dbraw/zinc/28/67/31/1298286731.db2.gz IZOIPSGKAFZZLB-LBPRGKRZSA-N 1 2 332.213 3.295 10 10 EGCELO CCO[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715737416 1298286737 /nfs/dbraw/zinc/28/67/37/1298286737.db2.gz IZOIPSGKAFZZLB-LBPRGKRZSA-N 1 2 332.213 3.295 10 10 EGCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000895536111 1309389073 /nfs/dbraw/zinc/38/90/73/1309389073.db2.gz HGOUVCCFRRVJNZ-AWEZNQCLSA-N 1 2 343.826 3.250 10 10 EGCELO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1O ZINC000857875102 1328611831 /nfs/dbraw/zinc/61/18/31/1328611831.db2.gz GIKAJVKHPDHNIG-MGPLVRAMSA-N 1 2 332.350 3.034 10 10 EGCELO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)n1-c1ccccc1C ZINC000857988271 1328649760 /nfs/dbraw/zinc/64/97/60/1328649760.db2.gz HNVKRGULMCDKGY-KRWDZBQOSA-N 1 2 334.423 3.474 10 10 EGCELO CC(C)Cn1ccnc1C[NH2+]Cc1c(O)cccc1Br ZINC000858145436 1328695358 /nfs/dbraw/zinc/69/53/58/1328695358.db2.gz UITFOQMVZQOCKM-UHFFFAOYSA-N 1 2 338.249 3.297 10 10 EGCELO CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001136025758 1377303188 /nfs/dbraw/zinc/30/31/88/1377303188.db2.gz YGWYHJGBQHBIGT-UHFFFAOYSA-N 1 2 334.423 3.435 10 10 EGCELO COc1cc(C)cc(C[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)c1O ZINC001330663634 1389489211 /nfs/dbraw/zinc/48/92/11/1389489211.db2.gz ABLSLWOAJBEAJG-QGZVFWFLSA-N 1 2 331.387 3.422 10 10 EGCELO COc1cc(C)cc(C[N@H+]2CCOC[C@@H]2c2cccc(F)c2)c1O ZINC001330663634 1389489215 /nfs/dbraw/zinc/48/92/15/1389489215.db2.gz ABLSLWOAJBEAJG-QGZVFWFLSA-N 1 2 331.387 3.422 10 10 EGCELO COc1ccc(N2CC[NH+]([C@H](C)c3nc(C(C)(C)C)no3)CC2)cc1 ZINC000058158581 454166689 /nfs/dbraw/zinc/16/66/89/454166689.db2.gz XVRSSYDVQSRDDB-CQSZACIVSA-N 1 2 344.459 3.259 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1O ZINC000158967504 455341430 /nfs/dbraw/zinc/34/14/30/455341430.db2.gz XVEGKFZTJKKHLV-QGZVFWFLSA-N 1 2 333.359 3.209 10 10 EGCELO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1O ZINC000158967504 455341435 /nfs/dbraw/zinc/34/14/35/455341435.db2.gz XVEGKFZTJKKHLV-QGZVFWFLSA-N 1 2 333.359 3.209 10 10 EGCELO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)C12CCOCC2 ZINC000186455189 455772750 /nfs/dbraw/zinc/77/27/50/455772750.db2.gz NNBNDNHPXLDUNT-HUUCEWRRSA-N 1 2 325.836 3.109 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC=C(c3ccnn3C)CC2)c1O ZINC000285525368 455863616 /nfs/dbraw/zinc/86/36/16/455863616.db2.gz HAOKQDHXDBJLGH-UHFFFAOYSA-N 1 2 345.830 3.271 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC=C(c3ccnn3C)CC2)c1O ZINC000285525368 455863623 /nfs/dbraw/zinc/86/36/23/455863623.db2.gz HAOKQDHXDBJLGH-UHFFFAOYSA-N 1 2 345.830 3.271 10 10 EGCELO COc1ccc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1F ZINC000301560966 456145766 /nfs/dbraw/zinc/14/57/66/456145766.db2.gz KFWNRYBIRFILLT-UHFFFAOYSA-N 1 2 344.434 3.383 10 10 EGCELO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000273415948 456228537 /nfs/dbraw/zinc/22/85/37/456228537.db2.gz QYADXNRTBJUNQA-CYBMUJFWSA-N 1 2 344.415 3.392 10 10 EGCELO CCC[NH+](CCC)c1ccc(CN2CCn3cnnc3[C@@H]2C)cc1 ZINC000276776643 456577053 /nfs/dbraw/zinc/57/70/53/456577053.db2.gz IVVWQUQIDCLODH-INIZCTEOSA-N 1 2 327.476 3.481 10 10 EGCELO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000371279942 457848504 /nfs/dbraw/zinc/84/85/04/457848504.db2.gz MFYKKSZAYYUZRS-MRXNPFEDSA-N 1 2 334.423 3.105 10 10 EGCELO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000371279942 457848508 /nfs/dbraw/zinc/84/85/08/457848508.db2.gz MFYKKSZAYYUZRS-MRXNPFEDSA-N 1 2 334.423 3.105 10 10 EGCELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000375261793 457854317 /nfs/dbraw/zinc/85/43/17/457854317.db2.gz IGEJCTZBQKWXGH-MRXNPFEDSA-N 1 2 349.862 3.278 10 10 EGCELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000375261793 457854322 /nfs/dbraw/zinc/85/43/22/457854322.db2.gz IGEJCTZBQKWXGH-MRXNPFEDSA-N 1 2 349.862 3.278 10 10 EGCELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@H](C)O2 ZINC000366808219 457901133 /nfs/dbraw/zinc/90/11/33/457901133.db2.gz IPXYHXSOCFMIOQ-BWACUDIHSA-N 1 2 343.826 3.343 10 10 EGCELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@H](C)O2 ZINC000366808219 457901139 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CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000280154261 455904658 /nfs/dbraw/zinc/90/46/58/455904658.db2.gz DVDBPRDUPHTMKN-MRXNPFEDSA-N 1 2 346.254 3.469 10 10 EGCELO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000280154261 455904662 /nfs/dbraw/zinc/90/46/62/455904662.db2.gz DVDBPRDUPHTMKN-MRXNPFEDSA-N 1 2 346.254 3.469 10 10 EGCELO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1O ZINC000156482394 455123501 /nfs/dbraw/zinc/12/35/01/455123501.db2.gz FLQYCPPQOOLTCM-GWCFXTLKSA-N 1 2 333.259 3.070 10 10 EGCELO OCCSCc1cc[nH+]c(NCc2cc(Cl)c(F)cc2O)c1 ZINC000293615059 455792705 /nfs/dbraw/zinc/79/27/05/455792705.db2.gz MCVAMIOEEWKJOU-UHFFFAOYSA-N 1 2 342.823 3.417 10 10 EGCELO COc1c(O)c(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)ccc1[N+](=O)[O-] ZINC000278435431 455836403 /nfs/dbraw/zinc/83/64/03/455836403.db2.gz USGKDTNDYJTKBL-CYBMUJFWSA-N 1 2 349.412 3.411 10 10 EGCELO COc1c(O)c(C[N@H+]2CCC[C@@H]2c2csc(C)n2)ccc1[N+](=O)[O-] ZINC000278435431 455836408 /nfs/dbraw/zinc/83/64/08/455836408.db2.gz USGKDTNDYJTKBL-CYBMUJFWSA-N 1 2 349.412 3.411 10 10 EGCELO CCOCc1nc([C@@H](C)[NH2+]Cc2ccc(N(CC)CC)cc2)no1 ZINC000291050645 456510696 /nfs/dbraw/zinc/51/06/96/456510696.db2.gz ZUUNTGWEYCXXFL-CQSZACIVSA-N 1 2 332.448 3.303 10 10 EGCELO COc1ccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000191883989 1295719411 /nfs/dbraw/zinc/71/94/11/1295719411.db2.gz XGBALUQBKSSZED-UHFFFAOYSA-N 1 2 325.387 3.028 10 10 EGCELO C[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@H]1CCCOC1 ZINC000708216428 1298236891 /nfs/dbraw/zinc/23/68/91/1298236891.db2.gz SHMJIZWYQSTHEZ-NSHDSACASA-N 1 2 334.641 3.419 10 10 EGCELO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@H]1CCCOC1 ZINC000708216428 1298236895 /nfs/dbraw/zinc/23/68/95/1298236895.db2.gz SHMJIZWYQSTHEZ-NSHDSACASA-N 1 2 334.641 3.419 10 10 EGCELO C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708139769 1298237799 /nfs/dbraw/zinc/23/77/99/1298237799.db2.gz IMYXMSLQJGESQP-LBPRGKRZSA-N 1 2 347.684 3.334 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000895260362 1309262197 /nfs/dbraw/zinc/26/21/97/1309262197.db2.gz QITRKKBFZJQYCJ-HNNXBMFYSA-N 1 2 344.224 3.031 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000895260362 1309262201 /nfs/dbraw/zinc/26/22/01/1309262201.db2.gz QITRKKBFZJQYCJ-HNNXBMFYSA-N 1 2 344.224 3.031 10 10 EGCELO CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC000895493062 1309368692 /nfs/dbraw/zinc/36/86/92/1309368692.db2.gz DYOVLPLCDINHIS-UHFFFAOYSA-N 1 2 342.487 3.431 10 10 EGCELO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000895577047 1309409595 /nfs/dbraw/zinc/40/95/95/1309409595.db2.gz GFEOKKIVQAYDRU-GFCCVEGCSA-N 1 2 327.705 3.338 10 10 EGCELO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000895577047 1309409598 /nfs/dbraw/zinc/40/95/98/1309409598.db2.gz GFEOKKIVQAYDRU-GFCCVEGCSA-N 1 2 327.705 3.338 10 10 EGCELO C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000926963141 1327800463 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Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000294795512 455827306 /nfs/dbraw/zinc/82/73/06/455827306.db2.gz VOKDXSNKTAVBTG-ISVAXAHUSA-N 1 2 341.732 3.320 10 10 EGCELO COC1CCN(c2ccc(C[N@H+](C)Cc3cc(C)on3)cc2)CC1 ZINC000295536556 455852461 /nfs/dbraw/zinc/85/24/61/455852461.db2.gz NZTFNRBVPKWVKR-UHFFFAOYSA-N 1 2 329.444 3.230 10 10 EGCELO COC1CCN(c2ccc(C[N@@H+](C)Cc3cc(C)on3)cc2)CC1 ZINC000295536556 455852465 /nfs/dbraw/zinc/85/24/65/455852465.db2.gz NZTFNRBVPKWVKR-UHFFFAOYSA-N 1 2 329.444 3.230 10 10 EGCELO C[C@@H]1CCCN(c2ccc(CNC(=O)Cn3cc[nH+]c3)cc2Cl)C1 ZINC000281915525 456360780 /nfs/dbraw/zinc/36/07/80/456360780.db2.gz ABZDGPBSRQRQHS-CQSZACIVSA-N 1 2 346.862 3.089 10 10 EGCELO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527807146 459743144 /nfs/dbraw/zinc/74/31/44/459743144.db2.gz MUBNSNCMGBKHPY-CQSZACIVSA-N 1 2 339.277 3.261 10 10 EGCELO COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000738920603 576369278 /nfs/dbraw/zinc/36/92/78/576369278.db2.gz SPHWJDXZFBUKGU-GFCCVEGCSA-N 1 2 340.383 3.240 10 10 EGCELO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000873861281 1297707964 /nfs/dbraw/zinc/70/79/64/1297707964.db2.gz BKRPJMSCXOTRBB-IAGOWNOFSA-N 1 2 326.444 3.018 10 10 EGCELO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000873861247 1297708049 /nfs/dbraw/zinc/70/80/49/1297708049.db2.gz AAJBXSIUMMKZAH-QZTJIDSGSA-N 1 2 338.455 3.162 10 10 EGCELO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000873861247 1297708061 /nfs/dbraw/zinc/70/80/61/1297708061.db2.gz AAJBXSIUMMKZAH-QZTJIDSGSA-N 1 2 338.455 3.162 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000894088566 1306210935 /nfs/dbraw/zinc/21/09/35/1306210935.db2.gz LSUHRMCPTKDHMM-QMTHXVAHSA-N 1 2 344.224 3.295 10 10 EGCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000894088566 1306210925 /nfs/dbraw/zinc/21/09/25/1306210925.db2.gz LSUHRMCPTKDHMM-QMTHXVAHSA-N 1 2 344.224 3.295 10 10 EGCELO C[C@@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC000895275747 1309266849 /nfs/dbraw/zinc/26/68/49/1309266849.db2.gz OXRCCEBSYNDHST-QMTHXVAHSA-N 1 2 346.652 3.276 10 10 EGCELO C[C@@]12COC[C@H]1C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC000895275747 1309266856 /nfs/dbraw/zinc/26/68/56/1309266856.db2.gz OXRCCEBSYNDHST-QMTHXVAHSA-N 1 2 346.652 3.276 10 10 EGCELO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000858592548 1328803557 /nfs/dbraw/zinc/80/35/57/1328803557.db2.gz FUIXIDMPQFSHJZ-LPEHRKFASA-N 1 2 332.213 3.369 10 10 EGCELO CC[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000925790998 1325301960 /nfs/dbraw/zinc/30/19/60/1325301960.db2.gz JWXZBXCYTINSCV-ZBFHGGJFSA-N 1 2 338.879 3.245 10 10 EGCELO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000866633267 1330136086 /nfs/dbraw/zinc/13/60/86/1330136086.db2.gz HDRZQSIYEXWBIE-FXPVBKGRSA-N 1 2 334.229 3.494 10 10 EGCELO COc1ccc(N(C)CCN(C)C(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001130548362 1373558345 /nfs/dbraw/zinc/55/83/45/1373558345.db2.gz YQLJVCMMCWYKNE-UHFFFAOYSA-N 1 2 341.455 3.224 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000293841928 455797663 /nfs/dbraw/zinc/79/76/63/455797663.db2.gz HEJBEYWHIJYUNH-NSHDSACASA-N 1 2 330.190 3.482 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000293841928 455797666 /nfs/dbraw/zinc/79/76/66/455797666.db2.gz HEJBEYWHIJYUNH-NSHDSACASA-N 1 2 330.190 3.482 10 10 EGCELO COc1ccc(C(=O)c2ccc(O)c(C[NH3+])c2)c(Cl)c1Cl ZINC000029341419 453828502 /nfs/dbraw/zinc/82/85/02/453828502.db2.gz ZGTYWXSBRIBLNH-UHFFFAOYSA-N 1 2 326.179 3.397 10 10 EGCELO Cc1noc(C)c1C[NH+]1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179759941 455074892 /nfs/dbraw/zinc/07/48/92/455074892.db2.gz JKAVVJPDBYPIQK-UHFFFAOYSA-N 1 2 349.862 3.277 10 10 EGCELO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000185324446 455540570 /nfs/dbraw/zinc/54/05/70/455540570.db2.gz WYNRMQVZSBUJLS-SGTLLEGYSA-N 1 2 338.411 3.268 10 10 EGCELO CC(C)CC(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294469759 455817317 /nfs/dbraw/zinc/81/73/17/455817317.db2.gz ZJRZFGXNBPLDQI-UHFFFAOYSA-N 1 2 342.842 3.311 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000294795510 455827101 /nfs/dbraw/zinc/82/71/01/455827101.db2.gz VOKDXSNKTAVBTG-AMIZOPFISA-N 1 2 341.732 3.320 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000294795510 455827105 /nfs/dbraw/zinc/82/71/05/455827105.db2.gz VOKDXSNKTAVBTG-AMIZOPFISA-N 1 2 341.732 3.320 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000295469359 455850024 /nfs/dbraw/zinc/85/00/24/455850024.db2.gz WMAVLILMLJWSAG-UHFFFAOYSA-N 1 2 341.839 3.354 10 10 EGCELO Oc1cc(F)c(Cl)cc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000295469359 455850030 /nfs/dbraw/zinc/85/00/30/455850030.db2.gz WMAVLILMLJWSAG-UHFFFAOYSA-N 1 2 341.839 3.354 10 10 EGCELO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1O ZINC000367547749 457963211 /nfs/dbraw/zinc/96/32/11/457963211.db2.gz ACEHNXOPEAVWRP-CXAGYDPISA-N 1 2 348.878 3.489 10 10 EGCELO CC[N@H+](Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000715784524 1298289028 /nfs/dbraw/zinc/28/90/28/1298289028.db2.gz JCDUWEHBIDFVQI-UHFFFAOYSA-N 1 2 332.213 3.295 10 10 EGCELO CC[N@@H+](Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000715784524 1298289033 /nfs/dbraw/zinc/28/90/33/1298289033.db2.gz JCDUWEHBIDFVQI-UHFFFAOYSA-N 1 2 332.213 3.295 10 10 EGCELO COc1ccc(N2CC[NH+]([C@@H](C)c3ccc(F)nc3)CC2)cc1F ZINC000929824599 1328711917 /nfs/dbraw/zinc/71/19/17/1328711917.db2.gz XFTVNWSFOZYTLS-ZDUSSCGKSA-N 1 2 333.382 3.252 10 10 EGCELO Cc1ccc(C[N@H+](CCO)Cc2c(O)cccc2Br)o1 ZINC000862350903 1329477004 /nfs/dbraw/zinc/47/70/04/1329477004.db2.gz IUJHNKAWKQFXIA-UHFFFAOYSA-N 1 2 340.217 3.051 10 10 EGCELO Cc1ccc(C[N@@H+](CCO)Cc2c(O)cccc2Br)o1 ZINC000862350903 1329477005 /nfs/dbraw/zinc/47/70/05/1329477005.db2.gz IUJHNKAWKQFXIA-UHFFFAOYSA-N 1 2 340.217 3.051 10 10 EGCELO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(Br)cc(F)c1O ZINC000866615544 1330133486 /nfs/dbraw/zinc/13/34/86/1330133486.db2.gz VITAWABOHVRQEY-BDAKNGLRSA-N 1 2 342.212 3.439 10 10 EGCELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(Cl)c(Cl)cc1O ZINC000192939606 455722723 /nfs/dbraw/zinc/72/27/23/455722723.db2.gz YPFGHTPHACKRTN-PRHODGIISA-N 1 2 327.215 3.476 10 10 EGCELO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000079220222 1292548803 /nfs/dbraw/zinc/54/88/03/1292548803.db2.gz HAQPHCWIOZVZPN-UHFFFAOYSA-N 1 2 328.387 3.056 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)c1O ZINC000872269955 1296873878 /nfs/dbraw/zinc/87/38/78/1296873878.db2.gz UVQRGUKZEBTAJR-ZDUSSCGKSA-N 1 2 333.762 3.104 10 10 EGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCO[C@H](C(F)F)CC2)c1O ZINC000872269955 1296873900 /nfs/dbraw/zinc/87/39/00/1296873900.db2.gz UVQRGUKZEBTAJR-ZDUSSCGKSA-N 1 2 333.762 3.104 10 10 EGCELO OC[C@@]1(c2ccccc2)CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894677357 1309018378 /nfs/dbraw/zinc/01/83/78/1309018378.db2.gz ZMUJRCGZNZMVFK-LJQANCHMSA-N 1 2 333.378 3.197 10 10 EGCELO OC[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894677357 1309018386 /nfs/dbraw/zinc/01/83/86/1309018386.db2.gz ZMUJRCGZNZMVFK-LJQANCHMSA-N 1 2 333.378 3.197 10 10 EGCELO CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC001351142311 1391604723 /nfs/dbraw/zinc/60/47/23/1391604723.db2.gz WAAVKBUSAQQTQX-UHFFFAOYSA-N 1 2 328.460 3.192 10 10 EGCELO