smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1nnc2sc([C@@H]([NH3+])c3ccccc3)nn21 ZINC000082585090 178120644 /nfs/dbraw/zinc/12/06/44/178120644.db2.gz OFSLYOIDCKDAOG-JTQLQIEISA-N 1 2 273.365 2.357 10 0 CEAELO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cc(Cl)ncc1F ZINC000095929179 185031832 /nfs/dbraw/zinc/03/18/32/185031832.db2.gz WISACZJOARPZOC-VIFPVBQESA-N 1 2 274.723 2.086 10 0 CEAELO COc1ccc([C@@H](C)[NH2+]Cc2nc(C)no2)cc1OC ZINC000038034427 361985578 /nfs/dbraw/zinc/98/55/78/361985578.db2.gz PWYWQIHUZUQAEM-SECBINFHSA-N 1 2 277.324 2.246 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCCCCC1)C2 ZINC000220574348 539258318 /nfs/dbraw/zinc/25/83/18/539258318.db2.gz UKEYZAZPAJVCBP-LBPRGKRZSA-N 1 2 261.369 2.226 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCCCCC1)CC2 ZINC000220574348 539258319 /nfs/dbraw/zinc/25/83/19/539258319.db2.gz UKEYZAZPAJVCBP-LBPRGKRZSA-N 1 2 261.369 2.226 10 0 CEAELO CCN(C(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000052856629 343566612 /nfs/dbraw/zinc/56/66/12/343566612.db2.gz AXIUEMIGWFHUPF-KBPBESRZSA-N 1 2 276.380 2.149 10 0 CEAELO C[C@H](CCC(C)(C)C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000131426024 344357814 /nfs/dbraw/zinc/35/78/14/344357814.db2.gz LOMNRZOHQZGMOJ-ZIAGYGMSSA-N 1 2 299.459 2.221 10 0 CEAELO C=CC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000148454658 344413592 /nfs/dbraw/zinc/41/35/92/344413592.db2.gz FSNGKCJIEJCKML-GFCCVEGCSA-N 1 2 262.328 2.044 10 0 CEAELO C=CC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000148454658 344413594 /nfs/dbraw/zinc/41/35/94/344413594.db2.gz FSNGKCJIEJCKML-GFCCVEGCSA-N 1 2 262.328 2.044 10 0 CEAELO [NH3+][C@H](c1cnns1)c1sccc1Br ZINC000164692623 344472513 /nfs/dbraw/zinc/47/25/13/344472513.db2.gz PPCATAFDZTXGRX-ZCFIWIBFSA-N 1 2 276.184 2.410 10 0 CEAELO Cc1ccoc1C(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000328632500 344757597 /nfs/dbraw/zinc/75/75/97/344757597.db2.gz RZVQSFVZKHBFFB-LBPRGKRZSA-N 1 2 273.336 2.119 10 0 CEAELO O=C(Cc1cccc2[nH+]ccn21)Nc1ccc2c(c1)OCC2 ZINC000584605577 344963603 /nfs/dbraw/zinc/96/36/03/344963603.db2.gz VEQQIVCGAIQLHK-UHFFFAOYSA-N 1 2 293.326 2.450 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@@H](C)SCCOC)[NH2+]C1CC1 ZINC000084314252 178857470 /nfs/dbraw/zinc/85/74/70/178857470.db2.gz LIZOHIWVKLKVQL-BXUZGUMPSA-N 1 2 289.441 2.218 10 0 CEAELO C[C@@H](O)c1cc[nH+]c(N2C[C@@H](C)OC(C)(C)C2)c1 ZINC000095003324 136515321 /nfs/dbraw/zinc/51/53/21/136515321.db2.gz XYUZKLAYAFZPNC-GHMZBOCLSA-N 1 2 250.342 2.139 10 0 CEAELO COC(=O)[C@@](C)(COc1cc(C)ccc1F)[NH2+]C(C)C ZINC000085560930 179094287 /nfs/dbraw/zinc/09/42/87/179094287.db2.gz CAOCABQRPPRJNQ-OAHLLOKOSA-N 1 2 283.343 2.443 10 0 CEAELO CCOC(OCC)[C@@H]([NH3+])c1occc1Br ZINC000086453061 179296440 /nfs/dbraw/zinc/29/64/40/179296440.db2.gz XBIAKYQIQXCTQT-QMMMGPOBSA-N 1 2 278.146 2.441 10 0 CEAELO CC(C)c1csc([C@@]2([NH3+])CCC[C@H]2S(C)(=O)=O)n1 ZINC000086679304 179319488 /nfs/dbraw/zinc/31/94/88/179319488.db2.gz AFGAGKRJPUNGFS-ZYHUDNBSSA-N 1 2 288.438 2.018 10 0 CEAELO CCOC(=O)N1CCCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616628139 348539365 /nfs/dbraw/zinc/53/93/65/348539365.db2.gz KGTUPONDOGVOJW-LBPRGKRZSA-N 1 2 263.341 2.220 10 0 CEAELO Nc1cc([C@@H]2COCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000616638104 348543225 /nfs/dbraw/zinc/54/32/25/348543225.db2.gz DCHMBCIEYJMAOX-HNNXBMFYSA-N 1 2 269.348 2.068 10 0 CEAELO Nc1cc([C@@H]2COCC[N@H+]2Cc2ccccc2)ccn1 ZINC000616638104 348543230 /nfs/dbraw/zinc/54/32/30/348543230.db2.gz DCHMBCIEYJMAOX-HNNXBMFYSA-N 1 2 269.348 2.068 10 0 CEAELO CC(C)(C)OC(=O)N1CCCOC[C@@H]1c1[nH]cc[nH+]1 ZINC000616647416 348546112 /nfs/dbraw/zinc/54/61/12/348546112.db2.gz XGGSBNOTLVSHQK-SNVBAGLBSA-N 1 2 267.329 2.108 10 0 CEAELO O=S(=O)(c1ccccc1)N1CCCC[C@H]1c1c[nH+]c[nH]1 ZINC000616616551 348535710 /nfs/dbraw/zinc/53/57/10/348535710.db2.gz YPNPSYHSMLUSMM-AWEZNQCLSA-N 1 2 291.376 2.326 10 0 CEAELO O=S(=O)(c1ccccc1)N1CCCC[C@H]1c1c[nH]c[nH+]1 ZINC000616616551 348535713 /nfs/dbraw/zinc/53/57/13/348535713.db2.gz YPNPSYHSMLUSMM-AWEZNQCLSA-N 1 2 291.376 2.326 10 0 CEAELO [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1C(=O)[O-] ZINC000616691656 348562206 /nfs/dbraw/zinc/56/22/06/348562206.db2.gz HNYKXFMREBMXHH-QGZVFWFLSA-N 1 2 296.370 2.291 10 0 CEAELO [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1C(=O)[O-] ZINC000616691656 348562209 /nfs/dbraw/zinc/56/22/09/348562209.db2.gz HNYKXFMREBMXHH-QGZVFWFLSA-N 1 2 296.370 2.291 10 0 CEAELO CC(=O)N1C[C@H](c2ccc(N)[nH+]c2)Nc2ccccc21 ZINC000616690815 348562292 /nfs/dbraw/zinc/56/22/92/348562292.db2.gz HTMCDKWTVJFSBF-CYBMUJFWSA-N 1 2 268.320 2.014 10 0 CEAELO CC1(C)C[S@](=O)C[C@@H](c2nc3ccccc3s2)[NH2+]1 ZINC000090357639 179976011 /nfs/dbraw/zinc/97/60/11/179976011.db2.gz ZYSVMNKRPFYIML-YPMLDQLKSA-N 1 2 280.418 2.468 10 0 CEAELO COC(=O)c1cc(N[C@@H](C)c2ccccn2)cc[nH+]1 ZINC000090737163 180034172 /nfs/dbraw/zinc/03/41/72/180034172.db2.gz VPNGCIJODHPGLB-JTQLQIEISA-N 1 2 257.293 2.436 10 0 CEAELO [NH3+]CCc1ccc(S(=O)(=O)Nc2ccsc2)s1 ZINC000090867994 180048669 /nfs/dbraw/zinc/04/86/69/180048669.db2.gz VOVOLQYYAJHYJW-UHFFFAOYSA-N 1 2 288.419 2.112 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@H]1Cc2cc(C)ccc2O1 ZINC000090897782 180057148 /nfs/dbraw/zinc/05/71/48/180057148.db2.gz PVOCGWOKYTVVJZ-CABCVRRESA-N 1 2 291.391 2.476 10 0 CEAELO Nc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC000090905451 180060409 /nfs/dbraw/zinc/06/04/09/180060409.db2.gz FWDIKDQWXGCETN-TXEJJXNPSA-N 1 2 297.196 2.395 10 0 CEAELO Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC000090905451 180060412 /nfs/dbraw/zinc/06/04/12/180060412.db2.gz FWDIKDQWXGCETN-TXEJJXNPSA-N 1 2 297.196 2.395 10 0 CEAELO NC(=S)c1ccc[nH+]c1NC[C@@H]1Cc2ccccc21 ZINC000090993534 180082104 /nfs/dbraw/zinc/08/21/04/180082104.db2.gz DKVGDIZHDBRBNH-NSHDSACASA-N 1 2 269.373 2.468 10 0 CEAELO O=C1C[C@H](c2c[nH+]cn2C2CC2)[C@H](Cc2ccccc2)N1 ZINC000091277935 180121157 /nfs/dbraw/zinc/12/11/57/180121157.db2.gz JOOKCJOREFIFNG-GJZGRUSLSA-N 1 2 281.359 2.433 10 0 CEAELO Cc1nc(C)c([C@@H](C)Nc2ccc[nH+]c2C)c(=O)[nH]1 ZINC000091495861 180171120 /nfs/dbraw/zinc/17/11/20/180171120.db2.gz SCKUKOPAKLLADY-SNVBAGLBSA-N 1 2 258.325 2.263 10 0 CEAELO Cc1ccc(C(N)=S)c(Nc2ccc[nH+]c2C)n1 ZINC000091497256 180173349 /nfs/dbraw/zinc/17/33/49/180173349.db2.gz BPAZLXWDBUWGBQ-UHFFFAOYSA-N 1 2 258.350 2.471 10 0 CEAELO CC(C)[C@H](C[NH+](C)C)n1c(=O)c2ccccc2[nH]c1=S ZINC000105041913 186038791 /nfs/dbraw/zinc/03/87/91/186038791.db2.gz NEMCFGWLFGLIBH-ZDUSSCGKSA-N 1 2 291.420 2.444 10 0 CEAELO C[N@@H+]1CCO[C@@H](C(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091688157 180225835 /nfs/dbraw/zinc/22/58/35/180225835.db2.gz UEIMYVAAFCNEJQ-CYBMUJFWSA-N 1 2 287.281 2.148 10 0 CEAELO C[N@H+]1CCO[C@@H](C(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091688157 180225838 /nfs/dbraw/zinc/22/58/38/180225838.db2.gz UEIMYVAAFCNEJQ-CYBMUJFWSA-N 1 2 287.281 2.148 10 0 CEAELO CCc1cc(Cl)nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091687513 180226738 /nfs/dbraw/zinc/22/67/38/180226738.db2.gz POIIBUFBFMNGOQ-MNOVXSKESA-N 1 2 267.760 2.228 10 0 CEAELO CCc1cc(Cl)nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000091687513 180226740 /nfs/dbraw/zinc/22/67/40/180226740.db2.gz POIIBUFBFMNGOQ-MNOVXSKESA-N 1 2 267.760 2.228 10 0 CEAELO CCCNc1nc([C@H]2C[N@H+](C)CCO2)nc2c1CCCC2 ZINC000091722806 180242317 /nfs/dbraw/zinc/24/23/17/180242317.db2.gz HQXSEVREMVEPFA-CQSZACIVSA-N 1 2 290.411 2.180 10 0 CEAELO CCCNc1nc([C@H]2C[N@@H+](C)CCO2)nc2c1CCCC2 ZINC000091722806 180242319 /nfs/dbraw/zinc/24/23/19/180242319.db2.gz HQXSEVREMVEPFA-CQSZACIVSA-N 1 2 290.411 2.180 10 0 CEAELO C[N@@H+]1CCO[C@@H](COc2c(Cl)cc(N)cc2Cl)C1 ZINC000092053623 180313207 /nfs/dbraw/zinc/31/32/07/180313207.db2.gz LKMDHQVCLPOEJS-SECBINFHSA-N 1 2 291.178 2.285 10 0 CEAELO C[N@H+]1CCO[C@@H](COc2c(Cl)cc(N)cc2Cl)C1 ZINC000092053623 180313209 /nfs/dbraw/zinc/31/32/09/180313209.db2.gz LKMDHQVCLPOEJS-SECBINFHSA-N 1 2 291.178 2.285 10 0 CEAELO CC[N@@H+]1CCO[C@H](COc2ccc(C=O)cc2Cl)C1 ZINC000092057038 180314566 /nfs/dbraw/zinc/31/45/66/180314566.db2.gz RWXGSMMMGWVWRD-LBPRGKRZSA-N 1 2 283.755 2.252 10 0 CEAELO CC[N@H+]1CCO[C@H](COc2ccc(C=O)cc2Cl)C1 ZINC000092057038 180314567 /nfs/dbraw/zinc/31/45/67/180314567.db2.gz RWXGSMMMGWVWRD-LBPRGKRZSA-N 1 2 283.755 2.252 10 0 CEAELO c1cnn(CC2CC[NH+](Cc3nc(C4CC4)no3)CC2)c1 ZINC000105886979 186084169 /nfs/dbraw/zinc/08/41/69/186084169.db2.gz TVDJVKGJFCSNSX-UHFFFAOYSA-N 1 2 287.367 2.056 10 0 CEAELO Cc1nn(C)c(C)c1C[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000092340093 180365262 /nfs/dbraw/zinc/36/52/62/180365262.db2.gz RXBKSRLTCAAFCZ-UHFFFAOYSA-N 1 2 282.347 2.491 10 0 CEAELO CCOC(=O)[C@@H]1CCCCN1Cc1cccc(NC)[nH+]1 ZINC000092368559 180370509 /nfs/dbraw/zinc/37/05/09/180370509.db2.gz WAICEXKCGCBZHE-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CC(C)[C@H]1CCC(=O)N(Cc2cc(NN)cc[nH+]2)CC1 ZINC000092425543 180383699 /nfs/dbraw/zinc/38/36/99/180383699.db2.gz PPUIOSFCRXCPCQ-LBPRGKRZSA-N 1 2 276.384 2.152 10 0 CEAELO C[NH+](C)[C@H]1CCN(c2cc(C(=O)[O-])[nH+]c3ccccc32)C1 ZINC000109589270 186265012 /nfs/dbraw/zinc/26/50/12/186265012.db2.gz KXWMWAXLSUOHLW-NSHDSACASA-N 1 2 285.347 2.073 10 0 CEAELO Cc1cc2ccccc2[nH+]c1NCCc1nncn1C ZINC000109424377 186251551 /nfs/dbraw/zinc/25/15/51/186251551.db2.gz LMVVPEIUSWDTAH-UHFFFAOYSA-N 1 2 267.336 2.326 10 0 CEAELO CCc1[nH]n(Cc2ccccc2C)c(=O)c1CC[NH3+] ZINC000069506517 362974356 /nfs/dbraw/zinc/97/43/56/362974356.db2.gz LNDHSAUHPLODOY-CYBMUJFWSA-N 1 2 259.353 2.068 10 0 CEAELO CCn1cc[nH+]c1-n1c(CC(N)=S)nc2ccccc21 ZINC000110949720 186335254 /nfs/dbraw/zinc/33/52/54/186335254.db2.gz USIJOJZOYSFCJL-UHFFFAOYSA-N 1 2 285.376 2.071 10 0 CEAELO c1cn(-c2ccc(NC[C@@H]3CCCOC3)cn2)c[nH+]1 ZINC000111319162 186396233 /nfs/dbraw/zinc/39/62/33/186396233.db2.gz UFLBZVYPVAWCDW-LBPRGKRZSA-N 1 2 258.325 2.106 10 0 CEAELO CC[C@H](CC1CCCC1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000074692491 363371347 /nfs/dbraw/zinc/37/13/47/363371347.db2.gz KVLDFKDYCHLGAL-GDBMZVCRSA-N 1 2 296.455 2.430 10 0 CEAELO C[C@@H](CNC(=O)[C@@H]1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC000179283491 542254575 /nfs/dbraw/zinc/25/45/75/542254575.db2.gz PSKMGPPKZKMLLJ-UONOGXRCSA-N 1 2 282.428 2.040 10 0 CEAELO Brc1cscc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400482233 538878580 /nfs/dbraw/zinc/87/85/80/538878580.db2.gz DNQHOXKEPMUUIU-SECBINFHSA-N 1 2 284.182 2.469 10 0 CEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cscn1 ZINC000178713123 189139521 /nfs/dbraw/zinc/13/95/21/189139521.db2.gz GFEWMFGLSSCDEI-DRZSPHRISA-N 1 2 280.393 2.449 10 0 CEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cscn1 ZINC000178713123 189139522 /nfs/dbraw/zinc/13/95/22/189139522.db2.gz GFEWMFGLSSCDEI-DRZSPHRISA-N 1 2 280.393 2.449 10 0 CEAELO C[C@H]1SCCN(c2nc[nH+]c(N)c2Cl)[C@H]1C ZINC000300333086 291262691 /nfs/dbraw/zinc/26/26/91/291262691.db2.gz FVUOTFGDHQIRBP-NKWVEPMBSA-N 1 2 258.778 2.042 10 0 CEAELO COc1cccc2c(N(C)Cc3nc[nH]n3)cc(C)[nH+]c12 ZINC000301643657 201112327 /nfs/dbraw/zinc/11/23/27/201112327.db2.gz BYZCAPGTRWIACZ-UHFFFAOYSA-N 1 2 283.335 2.306 10 0 CEAELO COc1cccc2c(N(C)Cc3nnc[nH]3)cc(C)[nH+]c12 ZINC000301643657 201112329 /nfs/dbraw/zinc/11/23/29/201112329.db2.gz BYZCAPGTRWIACZ-UHFFFAOYSA-N 1 2 283.335 2.306 10 0 CEAELO CCc1cc(N(C)CC(=O)Nc2cccc(C)n2)nc(C)[nH+]1 ZINC000302057017 201324604 /nfs/dbraw/zinc/32/46/04/201324604.db2.gz AMDBYUMJHQYGQO-UHFFFAOYSA-N 1 2 299.378 2.126 10 0 CEAELO COC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133297 363829951 /nfs/dbraw/zinc/82/99/51/363829951.db2.gz RGUSGUXFBAUBHG-XHNCKOQMSA-N 1 2 253.264 2.259 10 0 CEAELO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482152 364947518 /nfs/dbraw/zinc/94/75/18/364947518.db2.gz CKCVCRVDLKVAFI-GXTWGEPZSA-N 1 2 278.400 2.097 10 0 CEAELO CC(C)[C@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482152 364947525 /nfs/dbraw/zinc/94/75/25/364947525.db2.gz CKCVCRVDLKVAFI-GXTWGEPZSA-N 1 2 278.400 2.097 10 0 CEAELO CCCC[C@@H](CC)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000117246321 365097395 /nfs/dbraw/zinc/09/73/95/365097395.db2.gz HHKWSSLPYNXTKT-KGLIPLIRSA-N 1 2 270.417 2.040 10 0 CEAELO CCCC[C@@H](CC)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000117246321 365097400 /nfs/dbraw/zinc/09/74/00/365097400.db2.gz HHKWSSLPYNXTKT-KGLIPLIRSA-N 1 2 270.417 2.040 10 0 CEAELO CN1CC[NH+]=C(c2ncccn2)c2cc(Cl)ccc21 ZINC000169343269 367369158 /nfs/dbraw/zinc/36/91/58/367369158.db2.gz MGPDXXHYUGWQSW-UHFFFAOYSA-N 1 2 272.739 2.417 10 0 CEAELO Cc1cccnc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176345300 368227839 /nfs/dbraw/zinc/22/78/39/368227839.db2.gz VEQLEOXNHWYSLX-CYBMUJFWSA-N 1 2 285.351 2.283 10 0 CEAELO Cc1cccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1O ZINC000176185063 368209260 /nfs/dbraw/zinc/20/92/60/368209260.db2.gz COBDVWWZEJXWSP-CYBMUJFWSA-N 1 2 285.347 2.202 10 0 CEAELO Cc1cnc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000182193392 368532537 /nfs/dbraw/zinc/53/25/37/368532537.db2.gz AIELVMYBAQBFFQ-NSHDSACASA-N 1 2 294.376 2.237 10 0 CEAELO CCC1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000184119494 368673012 /nfs/dbraw/zinc/67/30/12/368673012.db2.gz QMIJIUSMFCFPSN-HNNXBMFYSA-N 1 2 294.439 2.280 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000189099127 369457963 /nfs/dbraw/zinc/45/79/63/369457963.db2.gz WYFNBUWLJWGRFY-SNVBAGLBSA-N 1 2 281.425 2.151 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000189099127 369457969 /nfs/dbraw/zinc/45/79/69/369457969.db2.gz WYFNBUWLJWGRFY-SNVBAGLBSA-N 1 2 281.425 2.151 10 0 CEAELO COc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)n1 ZINC000246597383 370982312 /nfs/dbraw/zinc/98/23/12/370982312.db2.gz AGLSIBVQCOYTJB-KGLIPLIRSA-N 1 2 262.353 2.234 10 0 CEAELO COc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)n1 ZINC000246597383 370982318 /nfs/dbraw/zinc/98/23/18/370982318.db2.gz AGLSIBVQCOYTJB-KGLIPLIRSA-N 1 2 262.353 2.234 10 0 CEAELO Clc1ccsc1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000194388063 370033244 /nfs/dbraw/zinc/03/32/44/370033244.db2.gz KVIUQPHAVBHTLW-LLVKDONJSA-N 1 2 297.811 2.499 10 0 CEAELO Clc1ccsc1C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000194388063 370033249 /nfs/dbraw/zinc/03/32/49/370033249.db2.gz KVIUQPHAVBHTLW-LLVKDONJSA-N 1 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/nfs/dbraw/zinc/50/29/32/372502932.db2.gz LYUVFVOTTSVJMP-SMDDNHRTSA-N 1 2 250.317 2.352 10 0 CEAELO Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)no1 ZINC000368679238 373254770 /nfs/dbraw/zinc/25/47/70/373254770.db2.gz AKUGTZBGMLZMIO-RYUDHWBXSA-N 1 2 251.330 2.084 10 0 CEAELO Cc1nc([C@@H]2CCC[N@H+]2C[C@@H]2CCCCO2)no1 ZINC000368679238 373254782 /nfs/dbraw/zinc/25/47/82/373254782.db2.gz AKUGTZBGMLZMIO-RYUDHWBXSA-N 1 2 251.330 2.084 10 0 CEAELO CC(=O)c1nc(N2CC[N@@H+]3CCCC[C@H]3C2)sc1C ZINC000384142632 375208109 /nfs/dbraw/zinc/20/81/09/375208109.db2.gz NOWRVZYUPUBBHA-LBPRGKRZSA-N 1 2 279.409 2.329 10 0 CEAELO CC(=O)c1nc(N2CC[N@H+]3CCCC[C@H]3C2)sc1C ZINC000384142632 375208113 /nfs/dbraw/zinc/20/81/13/375208113.db2.gz NOWRVZYUPUBBHA-LBPRGKRZSA-N 1 2 279.409 2.329 10 0 CEAELO C[C@@H]1NC(=O)CC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000281639182 375391129 /nfs/dbraw/zinc/39/11/29/375391129.db2.gz MFQRLZFUXZHOQG-JQWIXIFHSA-N 1 2 255.321 2.314 10 0 CEAELO c1nc2n(n1)C[C@H](Nc1ccc3ccccc3[nH+]1)CC2 ZINC000264513473 190115237 /nfs/dbraw/zinc/11/52/37/190115237.db2.gz OCRMJKWLGYEJEQ-GFCCVEGCSA-N 1 2 265.320 2.253 10 0 CEAELO CCc1cc(N2CCc3cnc(CC)nc3C2)nc(C)[nH+]1 ZINC000302051675 379319658 /nfs/dbraw/zinc/31/96/58/379319658.db2.gz OGTAQCIVOJHTHP-UHFFFAOYSA-N 1 2 283.379 2.263 10 0 CEAELO Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc(C)c1F ZINC000335241811 208008687 /nfs/dbraw/zinc/00/86/87/208008687.db2.gz RIAATFBYEAMTLM-YPMHNXCESA-N 1 2 264.344 2.300 10 0 CEAELO CCO[C@@H](C)c1noc([C@H]2[NH2+]CCc3ccccc32)n1 ZINC000080749141 177702818 /nfs/dbraw/zinc/70/28/18/177702818.db2.gz VHAPYQOFBYLGDW-GWCFXTLKSA-N 1 2 273.336 2.402 10 0 CEAELO Cc1cc(-n2nc(-c3ccco3)cc2N)nc(C)[nH+]1 ZINC000094259162 184770420 /nfs/dbraw/zinc/77/04/20/184770420.db2.gz YIUFYZRFNHDRMP-UHFFFAOYSA-N 1 2 255.281 2.121 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]C2CC2)CSCC(C)(C)C1 ZINC000094489921 184809248 /nfs/dbraw/zinc/80/92/48/184809248.db2.gz SOWBZSGDJLQMDS-ZDUSSCGKSA-N 1 2 257.399 2.203 10 0 CEAELO C[C@@H]1CCCCN1c1nc(N)[nH+]cc1Br ZINC000087805876 135051627 /nfs/dbraw/zinc/05/16/27/135051627.db2.gz IVANDCGPYBOOBZ-SSDOTTSWSA-N 1 2 271.162 2.200 10 0 CEAELO Nc1ccccc1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000090961852 135066558 /nfs/dbraw/zinc/06/65/58/135066558.db2.gz WBHMGUFKWBPZKT-UHFFFAOYSA-N 1 2 284.363 2.113 10 0 CEAELO C[C@H]1C(=O)CC[N@H+](c2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000093035276 135078274 /nfs/dbraw/zinc/07/82/74/135078274.db2.gz JDTMGORYGCOZCE-ZIAGYGMSSA-N 1 2 288.391 2.327 10 0 CEAELO C[C@H]1C(=O)CC[N@@H+](c2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000093035276 135078276 /nfs/dbraw/zinc/07/82/76/135078276.db2.gz JDTMGORYGCOZCE-ZIAGYGMSSA-N 1 2 288.391 2.327 10 0 CEAELO COC(=O)c1cccnc1C[NH+]1CCC(C(F)F)CC1 ZINC000307877406 394523715 /nfs/dbraw/zinc/52/37/15/394523715.db2.gz VIETXRYYCSPHRV-UHFFFAOYSA-N 1 2 284.306 2.345 10 0 CEAELO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000248876654 394548648 /nfs/dbraw/zinc/54/86/48/394548648.db2.gz MRLNRXTZMRFNMV-NOZJJQNGSA-N 1 2 298.333 2.129 10 0 CEAELO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000248876654 394548650 /nfs/dbraw/zinc/54/86/50/394548650.db2.gz MRLNRXTZMRFNMV-NOZJJQNGSA-N 1 2 298.333 2.129 10 0 CEAELO C[C@H]1COC[C@H](C)[NH+]1Cc1cc(F)cc2c1OCOC2 ZINC000172667974 395105978 /nfs/dbraw/zinc/10/59/78/395105978.db2.gz MUSLXHRHSUUNLH-QWRGUYRKSA-N 1 2 281.327 2.301 10 0 CEAELO C[C@H]1CC[C@@H](O)C[N@@H+]1CC(=O)Nc1ccccc1Cl ZINC000399275089 395243868 /nfs/dbraw/zinc/24/38/68/395243868.db2.gz XQISYOYGGNMVSA-WDEREUQCSA-N 1 2 282.771 2.124 10 0 CEAELO C[C@H]1CC[C@@H](O)C[N@H+]1CC(=O)Nc1ccccc1Cl ZINC000399275089 395243873 /nfs/dbraw/zinc/24/38/73/395243873.db2.gz XQISYOYGGNMVSA-WDEREUQCSA-N 1 2 282.771 2.124 10 0 CEAELO O=c1c2ccccc2occ1[C@@H]1[NH2+]CCn2cccc21 ZINC000032500404 296529730 /nfs/dbraw/zinc/52/97/30/296529730.db2.gz GAHYBOBKUHPKON-HNNXBMFYSA-N 1 2 266.300 2.287 10 0 CEAELO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1conc1C ZINC000397881906 400559606 /nfs/dbraw/zinc/55/96/06/400559606.db2.gz BDTBQGSMDHYCBM-CABCVRRESA-N 1 2 263.385 2.432 10 0 CEAELO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1Cc1conc1C ZINC000397881906 400559610 /nfs/dbraw/zinc/55/96/10/400559610.db2.gz BDTBQGSMDHYCBM-CABCVRRESA-N 1 2 263.385 2.432 10 0 CEAELO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnnn2C(C)C)C12CCC2 ZINC000120922715 286247343 /nfs/dbraw/zinc/24/73/43/286247343.db2.gz LRXSTLBMBMSUKZ-CHWSQXEVSA-N 1 2 293.415 2.034 10 0 CEAELO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnnn2C(C)C)C12CCC2 ZINC000120922715 286247345 /nfs/dbraw/zinc/24/73/45/286247345.db2.gz LRXSTLBMBMSUKZ-CHWSQXEVSA-N 1 2 293.415 2.034 10 0 CEAELO CC(C)c1nc([C@H]2CCC[N@@H+]2CCn2cccn2)no1 ZINC000195376150 153286315 /nfs/dbraw/zinc/28/63/15/153286315.db2.gz MANNAKDUMCDYSS-GFCCVEGCSA-N 1 2 275.356 2.227 10 0 CEAELO CC(C)c1nc([C@H]2CCC[N@H+]2CCn2cccn2)no1 ZINC000195376150 153286317 /nfs/dbraw/zinc/28/63/17/153286317.db2.gz MANNAKDUMCDYSS-GFCCVEGCSA-N 1 2 275.356 2.227 10 0 CEAELO CNc1nc(N[C@@H](C)[C@H](C)OC)[nH+]cc1Br ZINC000302734629 154185192 /nfs/dbraw/zinc/18/51/92/154185192.db2.gz YOTAOEZQSBDKMR-BQBZGAKWSA-N 1 2 289.177 2.116 10 0 CEAELO CNc1nc(N[C@@H](C)[C@@H](C)OC)[nH+]cc1Br ZINC000302734630 154187069 /nfs/dbraw/zinc/18/70/69/154187069.db2.gz YOTAOEZQSBDKMR-NKWVEPMBSA-N 1 2 289.177 2.116 10 0 CEAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3ncc(Cl)n3C)C2)c1 ZINC000171621521 165051982 /nfs/dbraw/zinc/05/19/82/165051982.db2.gz OESZVVPCEAHPLI-LBPRGKRZSA-N 1 2 293.802 2.416 10 0 CEAELO Cc1cnn([C@H]2CCC[N@H+](Cc3ncc(Cl)n3C)C2)c1 ZINC000171621521 165051985 /nfs/dbraw/zinc/05/19/85/165051985.db2.gz OESZVVPCEAHPLI-LBPRGKRZSA-N 1 2 293.802 2.416 10 0 CEAELO Cc1nnc([C@@H]2C[N@H+](C/C=C/c3ccccc3)CCO2)[nH]1 ZINC000173684892 165076837 /nfs/dbraw/zinc/07/68/37/165076837.db2.gz BHXPOQGYOMBGPB-PXTSUWAFSA-N 1 2 284.363 2.200 10 0 CEAELO Cc1nnc([C@@H]2C[N@@H+](C/C=C/c3ccccc3)CCO2)[nH]1 ZINC000173684892 165076842 /nfs/dbraw/zinc/07/68/42/165076842.db2.gz BHXPOQGYOMBGPB-PXTSUWAFSA-N 1 2 284.363 2.200 10 0 CEAELO CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173757685 165083633 /nfs/dbraw/zinc/08/36/33/165083633.db2.gz JWJYPPPICRIEIR-MNOVXSKESA-N 1 2 253.346 2.101 10 0 CEAELO CC[C@@H](O)C[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173757685 165083638 /nfs/dbraw/zinc/08/36/38/165083638.db2.gz JWJYPPPICRIEIR-MNOVXSKESA-N 1 2 253.346 2.101 10 0 CEAELO Cc1n[nH]cc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173951167 165092128 /nfs/dbraw/zinc/09/21/28/165092128.db2.gz GIPJRDKFWFATLX-NSHDSACASA-N 1 2 295.346 2.395 10 0 CEAELO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C)n2CC)C12CCC2 ZINC000177674776 165203206 /nfs/dbraw/zinc/20/32/06/165203206.db2.gz FBAUBRYEBUAVPY-KGLIPLIRSA-N 1 2 292.427 2.386 10 0 CEAELO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C)n2CC)C12CCC2 ZINC000177674776 165203208 /nfs/dbraw/zinc/20/32/08/165203208.db2.gz FBAUBRYEBUAVPY-KGLIPLIRSA-N 1 2 292.427 2.386 10 0 CEAELO Nc1cc2c(cc1[NH2+]CC1CCCC1)NC(=O)CO2 ZINC000035453279 172205868 /nfs/dbraw/zinc/20/58/68/172205868.db2.gz LLDXNYCURLWBQW-UHFFFAOYSA-N 1 2 261.325 2.202 10 0 CEAELO NC(=O)C[NH2+][C@H](c1ccco1)c1ccc(Cl)s1 ZINC000037183952 173016557 /nfs/dbraw/zinc/01/65/57/173016557.db2.gz GTUVKCIRHHAISY-LLVKDONJSA-N 1 2 270.741 2.159 10 0 CEAELO C[C@H]1CCCN(C(=O)CSc2ccc(N)[nH+]c2)C1 ZINC000037192124 173020822 /nfs/dbraw/zinc/02/08/22/173020822.db2.gz ILPLESVXLZZGRH-JTQLQIEISA-N 1 2 265.382 2.014 10 0 CEAELO COC(=O)[C@H](C)N[C@@H](C)c1c(C)cc(C)[nH+]c1C ZINC000037303252 173109052 /nfs/dbraw/zinc/10/90/52/173109052.db2.gz VROIKNUFNDCPKN-RYUDHWBXSA-N 1 2 250.342 2.219 10 0 CEAELO CNc1[nH+]cnc(Nc2ccc(Br)cn2)c1N ZINC000040706952 174379585 /nfs/dbraw/zinc/37/95/85/174379585.db2.gz YROPJIZYDOUNFD-UHFFFAOYSA-N 1 2 295.144 2.002 10 0 CEAELO CCOC(=O)c1ccc(Nc2nc[nH+]c(NC)c2N)cc1 ZINC000040706938 174379721 /nfs/dbraw/zinc/37/97/21/174379721.db2.gz YETXNZYMFSXSLD-UHFFFAOYSA-N 1 2 287.323 2.021 10 0 CEAELO CCCNc1[nH+]cnc(Nc2ncccc2C)c1N ZINC000040707713 174380364 /nfs/dbraw/zinc/38/03/64/174380364.db2.gz YINZHJOMRQRDMR-UHFFFAOYSA-N 1 2 258.329 2.328 10 0 CEAELO CCCc1cc(NC[C@@H](O)c2ccc(N)cc2)nc[nH+]1 ZINC000040765821 174397718 /nfs/dbraw/zinc/39/77/18/174397718.db2.gz JTCIWZBZCMUXSP-CQSZACIVSA-N 1 2 272.352 2.157 10 0 CEAELO Cc1ccc(Nc2ncnc(-n3cc[nH+]c3)c2N)cc1 ZINC000040782124 174404843 /nfs/dbraw/zinc/40/48/43/174404843.db2.gz KIQPGINALBXIBL-UHFFFAOYSA-N 1 2 266.308 2.297 10 0 CEAELO Cc1n[nH]c(C)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000040830542 174412561 /nfs/dbraw/zinc/41/25/61/174412561.db2.gz TZTUMSHVUBQPQC-UHFFFAOYSA-N 1 2 281.319 2.465 10 0 CEAELO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([NH3+])cc2C(=O)[O-])C1 ZINC000045141355 175316128 /nfs/dbraw/zinc/31/61/28/175316128.db2.gz JDYKLOAHKRJAGQ-NSHDSACASA-N 1 2 277.368 2.109 10 0 CEAELO CC(C)[N@H+]1CC[C@@H](CNc2ccc([NH3+])cc2C(=O)[O-])C1 ZINC000045141355 175316129 /nfs/dbraw/zinc/31/61/29/175316129.db2.gz JDYKLOAHKRJAGQ-NSHDSACASA-N 1 2 277.368 2.109 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224008 175332327 /nfs/dbraw/zinc/33/23/27/175332327.db2.gz UXZCCSUAQYQRJG-HNNXBMFYSA-N 1 2 270.417 2.484 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224008 175332328 /nfs/dbraw/zinc/33/23/28/175332328.db2.gz UXZCCSUAQYQRJG-HNNXBMFYSA-N 1 2 270.417 2.484 10 0 CEAELO C[C@@](C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)([NH2+]C1CC1)C(=O)[O-] ZINC000045272051 175343176 /nfs/dbraw/zinc/34/31/76/175343176.db2.gz XSUHAMQPVOWCHW-ZENOOKHLSA-N 1 2 280.412 2.094 10 0 CEAELO C[C@@](C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)([NH2+]C1CC1)C(=O)[O-] ZINC000045272051 175343177 /nfs/dbraw/zinc/34/31/77/175343177.db2.gz XSUHAMQPVOWCHW-ZENOOKHLSA-N 1 2 280.412 2.094 10 0 CEAELO CCC[NH2+][C@@](C)(CN(CC)CC(F)(F)F)C(=O)OCC ZINC000045274072 175344488 /nfs/dbraw/zinc/34/44/88/175344488.db2.gz CKXQMNVINJPHJV-LBPRGKRZSA-N 1 2 298.349 2.192 10 0 CEAELO CC[NH2+][C@H](CN(CC)c1cccc(C)c1)C(=O)OCC ZINC000045420014 175377629 /nfs/dbraw/zinc/37/76/29/175377629.db2.gz ATWBGTKNEAEZSX-OAHLLOKOSA-N 1 2 278.396 2.363 10 0 CEAELO COc1cccc([C@@](C)(O)c2cc(C)c[nH+]c2N)c1 ZINC000070403955 175912499 /nfs/dbraw/zinc/91/24/99/175912499.db2.gz SBUPOVDUNIUMKE-OAHLLOKOSA-N 1 2 258.321 2.237 10 0 CEAELO CC[NH2+][C@H](CCOc1cc(F)ccc1F)C(=O)OCC ZINC000071168523 176049901 /nfs/dbraw/zinc/04/99/01/176049901.db2.gz RKTCUODFXSHYAC-GFCCVEGCSA-N 1 2 287.306 2.275 10 0 CEAELO CCOC(=O)c1[nH+]c(C)n([C@@H]2CCC[C@H]2C)c1N ZINC000071209295 176081606 /nfs/dbraw/zinc/08/16/06/176081606.db2.gz IOTSBFCSKVHYKO-PSASIEDQSA-N 1 2 251.330 2.312 10 0 CEAELO CCNc1ccncc1S(=O)(=O)Nc1cc[nH+]cc1C ZINC000071237472 176093892 /nfs/dbraw/zinc/09/38/92/176093892.db2.gz QRASXJCAMADKTB-UHFFFAOYSA-N 1 2 292.364 2.018 10 0 CEAELO CCOC(=O)N1CCC(Nc2c[nH+]ccc2C)CC1 ZINC000071413702 176159095 /nfs/dbraw/zinc/15/90/95/176159095.db2.gz QKILFJLTQJUNBK-UHFFFAOYSA-N 1 2 263.341 2.423 10 0 CEAELO CCCOC(=O)c1c(N)cccc1[C@@H](C)[NH+]1CCOCC1 ZINC000071414050 176159428 /nfs/dbraw/zinc/15/94/28/176159428.db2.gz MIRPISXKZRFENM-GFCCVEGCSA-N 1 2 292.379 2.229 10 0 CEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H](C2CCC2)C1 ZINC000662717424 415942004 /nfs/dbraw/zinc/94/20/04/415942004.db2.gz ZNTKZZSPIRZUEG-VXGBXAGGSA-N 1 2 272.339 2.022 10 0 CEAELO CCc1cc(C(=O)NCCc2c[nH+]c[nH]2)sc1C ZINC000078723510 177375993 /nfs/dbraw/zinc/37/59/93/177375993.db2.gz QIAURXQLDOFTRF-UHFFFAOYSA-N 1 2 263.366 2.315 10 0 CEAELO CCc1cc(C(=O)NCCc2c[nH]c[nH+]2)sc1C ZINC000078723510 177375994 /nfs/dbraw/zinc/37/59/94/177375994.db2.gz QIAURXQLDOFTRF-UHFFFAOYSA-N 1 2 263.366 2.315 10 0 CEAELO C[C@H]1C[NH+](CCOCC(F)(F)C(F)(F)F)C[C@H](C)O1 ZINC000188572845 270257435 /nfs/dbraw/zinc/25/74/35/270257435.db2.gz XUIZTPDOEHECHS-IUCAKERBSA-N 1 2 291.260 2.310 10 0 CEAELO Cc1cc[nH+]cc1N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000071413958 278992473 /nfs/dbraw/zinc/99/24/73/278992473.db2.gz URSSMNHHNDAWPZ-CYBMUJFWSA-N 1 2 274.345 2.331 10 0 CEAELO O=C(N[C@H]1C=CCCC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000157906140 289224337 /nfs/dbraw/zinc/22/43/37/289224337.db2.gz JRLMPMUKNWMARL-KBPBESRZSA-N 1 2 274.368 2.166 10 0 CEAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cccc(N)c2)no1 ZINC000261641124 293371344 /nfs/dbraw/zinc/37/13/44/293371344.db2.gz GEUITCLSTIHQNU-ZDUSSCGKSA-N 1 2 258.325 2.297 10 0 CEAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2cccc(N)c2)no1 ZINC000261641124 293371348 /nfs/dbraw/zinc/37/13/48/293371348.db2.gz GEUITCLSTIHQNU-ZDUSSCGKSA-N 1 2 258.325 2.297 10 0 CEAELO CC(C)(C)c1csc(NC(=O)[C@@H]2CSC[NH2+]2)n1 ZINC000049499983 519084423 /nfs/dbraw/zinc/08/44/23/519084423.db2.gz MBMKKHKIEAEQQF-ZETCQYMHSA-N 1 2 271.411 2.042 10 0 CEAELO CCC[NH2+][C@@H](CCOC1CCCC1)C(=O)OCC ZINC000062546010 520000822 /nfs/dbraw/zinc/00/08/22/520000822.db2.gz WRDYJGWAFAVTBO-ZDUSSCGKSA-N 1 2 257.374 2.267 10 0 CEAELO CC[NH2+][C@@H](CCSCc1ccco1)C(=O)OCC ZINC000062596460 520094448 /nfs/dbraw/zinc/09/44/48/520094448.db2.gz FDXODEGOTTXXQU-LBPRGKRZSA-N 1 2 271.382 2.444 10 0 CEAELO COc1cccc2c1cc[nH+]c2N1C[C@@H](C)C[C@H](O)C1 ZINC000401503491 533905406 /nfs/dbraw/zinc/90/54/06/533905406.db2.gz QKBBXBYULBMVIX-RYUDHWBXSA-N 1 2 272.348 2.451 10 0 CEAELO CC(C)CNC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2F)C1 ZINC000062511155 519736346 /nfs/dbraw/zinc/73/63/46/519736346.db2.gz WIEVETLIEZPYCQ-OAHLLOKOSA-N 1 2 293.386 2.480 10 0 CEAELO CC(C)CNC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2F)C1 ZINC000062511155 519736348 /nfs/dbraw/zinc/73/63/48/519736348.db2.gz WIEVETLIEZPYCQ-OAHLLOKOSA-N 1 2 293.386 2.480 10 0 CEAELO CCc1[nH]n(Cc2ccc(C)cc2)c(=O)c1CC[NH3+] ZINC000069506243 519849103 /nfs/dbraw/zinc/84/91/03/519849103.db2.gz FCYAVPRYQCORPJ-ZDUSSCGKSA-N 1 2 259.353 2.068 10 0 CEAELO CCC[NH+]1CCN(c2nc(C3CC3)c(C=O)s2)CC1 ZINC000069180491 519860810 /nfs/dbraw/zinc/86/08/10/519860810.db2.gz MEWWTMDPEZIUFD-UHFFFAOYSA-N 1 2 279.409 2.365 10 0 CEAELO CCC[NH2+][C@@H](C(=O)OC)c1cccc2cccnc21 ZINC000069503325 519984040 /nfs/dbraw/zinc/98/40/40/519984040.db2.gz ZLRPKXNMAXZHML-CQSZACIVSA-N 1 2 258.321 2.449 10 0 CEAELO CCC[NH2+][C@H](CCN1Cc2ccccc2C1)C(=O)OCC ZINC000062531209 520076016 /nfs/dbraw/zinc/07/60/16/520076016.db2.gz ODRAYYLQGUZPBO-MRXNPFEDSA-N 1 2 290.407 2.324 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1ccccc1OC)C(=O)OCC ZINC000062528226 520086986 /nfs/dbraw/zinc/08/69/86/520086986.db2.gz WOSNSMCVHXHGEX-ZDUSSCGKSA-N 1 2 294.395 2.063 10 0 CEAELO CCC[NH2+][C@](Cn1nc(C)c(C)c1C)(C(=O)OC)C1CC1 ZINC000069192828 520125002 /nfs/dbraw/zinc/12/50/02/520125002.db2.gz BZBSPGUCEXATEB-INIZCTEOSA-N 1 2 293.411 2.130 10 0 CEAELO CCCNc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC)cn1 ZINC000050814325 520157730 /nfs/dbraw/zinc/15/77/30/520157730.db2.gz YCLVRRPMRVTNGH-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO CCCNc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC)cn1 ZINC000050814325 520157736 /nfs/dbraw/zinc/15/77/36/520157736.db2.gz YCLVRRPMRVTNGH-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO CC[NH2+][C@H](CCOc1ccc2c(c1)CCC2)C(=O)OC ZINC000062545579 520193198 /nfs/dbraw/zinc/19/31/98/520193198.db2.gz IYZDGSCMJSNBHM-OAHLLOKOSA-N 1 2 277.364 2.095 10 0 CEAELO CC[NH2+][C@](C)(CCn1ncc2ccccc21)C(=O)OCC ZINC000050528440 520232234 /nfs/dbraw/zinc/23/22/34/520232234.db2.gz RZAIPCKSWIKIOY-MRXNPFEDSA-N 1 2 289.379 2.358 10 0 CEAELO CC[NH2+][C@](CN(C)c1ccc(C)cc1)(C(=O)OC)C1CC1 ZINC000069231417 520244661 /nfs/dbraw/zinc/24/46/61/520244661.db2.gz VYMYBSPVKFEDEF-KRWDZBQOSA-N 1 2 290.407 2.363 10 0 CEAELO CCNc1ccc(Cl)c(C[N@H+](C)CCOC)n1 ZINC000061638851 520307677 /nfs/dbraw/zinc/30/76/77/520307677.db2.gz KMPMIXOVEKSVDF-UHFFFAOYSA-N 1 2 257.765 2.245 10 0 CEAELO CCNc1ccc(Cl)c(C[N@@H+](C)CCOC)n1 ZINC000061638851 520307679 /nfs/dbraw/zinc/30/76/79/520307679.db2.gz KMPMIXOVEKSVDF-UHFFFAOYSA-N 1 2 257.765 2.245 10 0 CEAELO CCCOc1ccc(-c2[nH+]c(CC)n(N)c2N)cc1 ZINC000052919741 520316771 /nfs/dbraw/zinc/31/67/71/520316771.db2.gz INZLAXHQVAVNAW-UHFFFAOYSA-N 1 2 260.341 2.197 10 0 CEAELO CCC[C@@H](C)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061536258 520669267 /nfs/dbraw/zinc/66/92/67/520669267.db2.gz DXTDSTAPKIWMQU-MRVPVSSYSA-N 1 2 266.736 2.311 10 0 CEAELO CCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000049369196 521026122 /nfs/dbraw/zinc/02/61/22/521026122.db2.gz SXVCRMDIDAOAGW-QWHCGFSZSA-N 1 2 287.363 2.475 10 0 CEAELO CCOC(=O)[C@@](CN(C)c1ccccc1C)([NH2+]C)C1CC1 ZINC000069231344 521168041 /nfs/dbraw/zinc/16/80/41/521168041.db2.gz JILMUGFGPVSPGD-KRWDZBQOSA-N 1 2 290.407 2.363 10 0 CEAELO CCOC(=O)[C@@](COc1ccccc1F)([NH2+]C)C1CC1 ZINC000069197259 521170189 /nfs/dbraw/zinc/17/01/89/521170189.db2.gz RMZMLNUXXMNYHE-HNNXBMFYSA-N 1 2 281.327 2.136 10 0 CEAELO CCOC(=O)[C@](C)(C[C@H](C)n1nc(C)c(C)c1C)[NH2+]C ZINC000068649158 521323712 /nfs/dbraw/zinc/32/37/12/521323712.db2.gz DNNAJIXLWKLJFH-BONVTDFDSA-N 1 2 281.400 2.301 10 0 CEAELO CCOC(=O)[C@](CN(C)c1ccc(C)cc1)([NH2+]C)C1CC1 ZINC000069231427 521340101 /nfs/dbraw/zinc/34/01/01/521340101.db2.gz FASSWMYHVUBHDD-QGZVFWFLSA-N 1 2 290.407 2.363 10 0 CEAELO CNC(=O)c1ccc(Cl)c(NCc2c[nH+]c(C)[nH]2)c1 ZINC000054821971 521827108 /nfs/dbraw/zinc/82/71/08/521827108.db2.gz NGUDYEOKPJHMOK-UHFFFAOYSA-N 1 2 278.743 2.343 10 0 CEAELO CNC(=O)c1ccc(Cl)c(NCc2c[nH]c(C)[nH+]2)c1 ZINC000054821971 521827118 /nfs/dbraw/zinc/82/71/18/521827118.db2.gz NGUDYEOKPJHMOK-UHFFFAOYSA-N 1 2 278.743 2.343 10 0 CEAELO CCc1[nH+]c2ccccc2n1CCn1cc(N)cn1 ZINC000062807192 522504407 /nfs/dbraw/zinc/50/44/07/522504407.db2.gz DHHWUYHBSVQASG-UHFFFAOYSA-N 1 2 255.325 2.078 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)Oc1ccc(C)cc1OC)C(=O)OC ZINC000068657145 522522222 /nfs/dbraw/zinc/52/22/22/522522222.db2.gz BUPOZFSCOOYATJ-BLLLJJGKSA-N 1 2 295.379 2.312 10 0 CEAELO C[NH2+][C@](C[NH+]1CCC(C(C)(C)C)CC1)(C(=O)[O-])C1CC1 ZINC000069231562 522528555 /nfs/dbraw/zinc/52/85/55/522528555.db2.gz SABNNFZUSHRQLA-INIZCTEOSA-N 1 2 282.428 2.197 10 0 CEAELO CNc1cc(CSc2ncnc3[nH]cnc32)cc[nH+]1 ZINC000052756635 522567618 /nfs/dbraw/zinc/56/76/18/522567618.db2.gz OAOZPQCSHHEWRA-UHFFFAOYSA-N 1 2 272.337 2.082 10 0 CEAELO C[N@@H+]1CCCC[C@@H]1CNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054530535 523795662 /nfs/dbraw/zinc/79/56/62/523795662.db2.gz HNGTXEHAWQEECV-GFCCVEGCSA-N 1 2 289.379 2.165 10 0 CEAELO C[N@H+]1CCCC[C@@H]1CNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054530535 523795665 /nfs/dbraw/zinc/79/56/65/523795665.db2.gz HNGTXEHAWQEECV-GFCCVEGCSA-N 1 2 289.379 2.165 10 0 CEAELO COc1ccc(C)cc1C(=O)Nc1cc[nH+]cc1N ZINC000062725809 523802728 /nfs/dbraw/zinc/80/27/28/523802728.db2.gz HBFOQGAKAYOXRD-UHFFFAOYSA-N 1 2 257.293 2.233 10 0 CEAELO CC[C@H](C)CNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061542686 523887808 /nfs/dbraw/zinc/88/78/08/523887808.db2.gz YEWFIYNIONFPTH-QMMMGPOBSA-N 1 2 266.736 2.169 10 0 CEAELO C[NH+](C)C(C)(C)CNc1[nH+]c2c(cc1C(=O)[O-])CCCC2 ZINC000054532182 524034163 /nfs/dbraw/zinc/03/41/63/524034163.db2.gz SMNDYLHHGAIZDZ-UHFFFAOYSA-N 1 2 291.395 2.411 10 0 CEAELO C[C@@H](C[NH+]1CCOCC1)Nc1c(N)cccc1Cl ZINC000049505817 524631876 /nfs/dbraw/zinc/63/18/76/524631876.db2.gz VWOUXEWDGAUBBI-JTQLQIEISA-N 1 2 269.776 2.055 10 0 CEAELO C[C@]([NH3+])(c1nc(-c2ccccn2)no1)c1ccccc1 ZINC000052879338 525150164 /nfs/dbraw/zinc/15/01/64/525150164.db2.gz KIPKGKKNAJVBIJ-OAHLLOKOSA-N 1 2 266.304 2.354 10 0 CEAELO Cc1cc(NN)[nH+]c(-c2nccc3ccccc32)n1 ZINC000069316034 525285896 /nfs/dbraw/zinc/28/58/96/525285896.db2.gz JYXJQIGWEMMUGE-UHFFFAOYSA-N 1 2 251.293 2.286 10 0 CEAELO C[C@@H]([NH2+]Cc1cncnc1)c1nc2ccccc2[nH]1 ZINC000054768266 525554478 /nfs/dbraw/zinc/55/44/78/525554478.db2.gz AHJCUTNPINYZIN-SNVBAGLBSA-N 1 2 253.309 2.204 10 0 CEAELO O=c1cc(-c2ccc(NCc3c[nH+]c[nH]3)cc2)[nH][nH]1 ZINC000054764587 526332962 /nfs/dbraw/zinc/33/29/62/526332962.db2.gz SQQICAVYAHNLIA-UHFFFAOYSA-N 1 2 255.281 2.118 10 0 CEAELO O=c1cc(-c2ccc(NCc3c[nH]c[nH+]3)cc2)[nH][nH]1 ZINC000054764587 526332974 /nfs/dbraw/zinc/33/29/74/526332974.db2.gz SQQICAVYAHNLIA-UHFFFAOYSA-N 1 2 255.281 2.118 10 0 CEAELO O=C([O-])[C@](C[NH+]1CCCCCCC1)([NH2+]C1CC1)C1CC1 ZINC000069090799 526336632 /nfs/dbraw/zinc/33/66/32/526336632.db2.gz DARBSNJIBBNASO-MRXNPFEDSA-N 1 2 280.412 2.238 10 0 CEAELO c1nc(-c2nnc3n2CC[NH2+][C@H]3c2ccccc2)cs1 ZINC000062362233 526594170 /nfs/dbraw/zinc/59/41/70/526594170.db2.gz JAIUJSZHYLQEMG-LBPRGKRZSA-N 1 2 283.360 2.094 10 0 CEAELO Cc1nc(C)n(Cc2cc3ccccc3[nH+]c2N)n1 ZINC000050829939 526763929 /nfs/dbraw/zinc/76/39/29/526763929.db2.gz YXSOTBQNCWAABJ-UHFFFAOYSA-N 1 2 253.309 2.074 10 0 CEAELO Cc1[nH]c(CNc2cc3c(cc2Cl)NC(=O)C3)c[nH+]1 ZINC000054821838 526896282 /nfs/dbraw/zinc/89/62/82/526896282.db2.gz FLYJQTQJTNMOGY-UHFFFAOYSA-N 1 2 276.727 2.478 10 0 CEAELO Cc1[nH]cc(CNc2cc3c(cc2Cl)NC(=O)C3)[nH+]1 ZINC000054821838 526896288 /nfs/dbraw/zinc/89/62/88/526896288.db2.gz FLYJQTQJTNMOGY-UHFFFAOYSA-N 1 2 276.727 2.478 10 0 CEAELO Cc1[nH]c(CNc2cccc(N3CCOC3=O)c2)c[nH+]1 ZINC000054822033 526899940 /nfs/dbraw/zinc/89/99/40/526899940.db2.gz HAWXTDLPNHHTDN-UHFFFAOYSA-N 1 2 272.308 2.287 10 0 CEAELO Cc1[nH]cc(CNc2cccc(N3CCOC3=O)c2)[nH+]1 ZINC000054822033 526899944 /nfs/dbraw/zinc/89/99/44/526899944.db2.gz HAWXTDLPNHHTDN-UHFFFAOYSA-N 1 2 272.308 2.287 10 0 CEAELO O=C1CCCc2nc(N3CC[NH+](CC4CC4)CC3)sc21 ZINC000054863808 526986038 /nfs/dbraw/zinc/98/60/38/526986038.db2.gz OPFRPLQDHAXQCL-UHFFFAOYSA-N 1 2 291.420 2.194 10 0 CEAELO O=Cc1cc(F)c(N2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000062707686 527145457 /nfs/dbraw/zinc/14/54/57/527145457.db2.gz BLDPTBDZPYSDFI-UHFFFAOYSA-N 1 2 280.318 2.309 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1cccc(N2CCOC2=O)c1 ZINC000054795774 527215970 /nfs/dbraw/zinc/21/59/70/527215970.db2.gz JUUSYYGKNOTQAY-UHFFFAOYSA-N 1 2 272.308 2.287 10 0 CEAELO Nc1nc(N2CCOCC2)[nH+]cc1-c1cccc(Cl)c1 ZINC000061675398 527557080 /nfs/dbraw/zinc/55/70/80/527557080.db2.gz CPAXGWIJYOFKDS-UHFFFAOYSA-N 1 2 290.754 2.216 10 0 CEAELO Nc1[nH+]c2ccccc2cc1Cn1ccccc1=O ZINC000050818451 527562570 /nfs/dbraw/zinc/56/25/70/527562570.db2.gz IRBKUCWHUOUXNJ-UHFFFAOYSA-N 1 2 251.289 2.027 10 0 CEAELO Cc1ccc(O)cc1C(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000907568414 637053338 /nfs/dbraw/zinc/05/33/38/637053338.db2.gz ICDXZRGTXLNQNP-CYBMUJFWSA-N 1 2 299.374 2.232 10 0 CEAELO CCCCC[C@@H](C)CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000079505932 642927498 /nfs/dbraw/zinc/92/74/98/642927498.db2.gz JCQNEDFIBPJTRD-HUUCEWRRSA-N 1 2 284.444 2.430 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000121677483 365601281 /nfs/dbraw/zinc/60/12/81/365601281.db2.gz MITBUGUXTDOJPE-LBPRGKRZSA-N 1 2 285.351 2.145 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+]CCNc1cccc(Cl)c1 ZINC000034418463 361790608 /nfs/dbraw/zinc/79/06/08/361790608.db2.gz HRRDBCACYBZLLI-JTQLQIEISA-N 1 2 270.760 2.293 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)c1cccc(OC)c1 ZINC000177293318 529582737 /nfs/dbraw/zinc/58/27/37/529582737.db2.gz SAFMIYQHLQFHIK-SFHVURJKSA-N 1 2 264.350 2.219 10 0 CEAELO C[C@@](O)(C[NH2+]Cc1ncc(Cl)s1)C(F)(F)F ZINC000336777274 365797896 /nfs/dbraw/zinc/79/78/96/365797896.db2.gz HXHIYBPPOKDVPK-SSDOTTSWSA-N 1 2 274.695 2.199 10 0 CEAELO Cc1ccc(N)cc1-c1ccc(C[NH+]2CCOCC2)nc1 ZINC000168495449 344480407 /nfs/dbraw/zinc/48/04/07/344480407.db2.gz YPXJOHUMNBTVFM-UHFFFAOYSA-N 1 2 283.375 2.471 10 0 CEAELO Cc1cc(C)c(C(=O)NC[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000328635933 344757371 /nfs/dbraw/zinc/75/73/71/344757371.db2.gz VDVSZHZXODZBRS-LBPRGKRZSA-N 1 2 273.336 2.085 10 0 CEAELO Cc1cc(C)c(C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000328635931 344757378 /nfs/dbraw/zinc/75/73/78/344757378.db2.gz VDVSZHZXODZBRS-GFCCVEGCSA-N 1 2 273.336 2.085 10 0 CEAELO CN1CCN(C(=O)CC2=CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328623494 344756245 /nfs/dbraw/zinc/75/62/45/344756245.db2.gz JFRGDERDCCGUQH-CQSZACIVSA-N 1 2 288.395 2.115 10 0 CEAELO CC[NH2+]c1ccc(N)cc1I ZINC000085109565 178951234 /nfs/dbraw/zinc/95/12/34/178951234.db2.gz SOBDTUPIVAZUTC-UHFFFAOYSA-N 1 2 262.094 2.305 10 0 CEAELO CCO[C@H]1C[C@@H]([NH2+][C@H](C(=O)OC)[C@@H](C)CC)C1(C)C ZINC000085383774 179045700 /nfs/dbraw/zinc/04/57/00/179045700.db2.gz MQYBMSJDIJTADP-RNJOBUHISA-N 1 2 271.401 2.367 10 0 CEAELO C[NH2+][C@@](C)(CCOc1cc(C)ccc1F)C(=O)OC ZINC000085561387 179094359 /nfs/dbraw/zinc/09/43/59/179094359.db2.gz OPKOZWXSLGOIQF-AWEZNQCLSA-N 1 2 269.316 2.054 10 0 CEAELO CCc1nnc([C@@H]2C[N@H+](Cc3ccc(C)s3)CCO2)[nH]1 ZINC000129126607 365827698 /nfs/dbraw/zinc/82/76/98/365827698.db2.gz GXIJXXSTQBBBNZ-LBPRGKRZSA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3ccc(C)s3)CCO2)[nH]1 ZINC000129126607 365827699 /nfs/dbraw/zinc/82/76/99/365827699.db2.gz GXIJXXSTQBBBNZ-LBPRGKRZSA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nc([C@@H]2C[N@H+](Cc3ccc(C)s3)CCO2)n[nH]1 ZINC000129126607 365827705 /nfs/dbraw/zinc/82/77/05/365827705.db2.gz GXIJXXSTQBBBNZ-LBPRGKRZSA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nc([C@@H]2C[N@@H+](Cc3ccc(C)s3)CCO2)n[nH]1 ZINC000129126607 365827710 /nfs/dbraw/zinc/82/77/10/365827710.db2.gz GXIJXXSTQBBBNZ-LBPRGKRZSA-N 1 2 292.408 2.311 10 0 CEAELO Brc1csc(N2CCn3cc[nH+]c3C2)n1 ZINC000086291139 179265841 /nfs/dbraw/zinc/26/58/41/179265841.db2.gz SHJJZDRAFYNVJR-UHFFFAOYSA-N 1 2 285.170 2.122 10 0 CEAELO CC(C)(C)OC(=O)N1CCOC[C@@H](c2cccc(N)[nH+]2)C1 ZINC000616659993 348551834 /nfs/dbraw/zinc/55/18/34/348551834.db2.gz MGRNHRKQNDYCOS-NSHDSACASA-N 1 2 293.367 2.015 10 0 CEAELO [NH3+]Cc1c(=O)n(C2CCCC2)c(O)cc1C(F)(F)F ZINC000616577359 348525496 /nfs/dbraw/zinc/52/54/96/348525496.db2.gz UQBKAXIMWCMFKC-UHFFFAOYSA-N 1 2 276.258 2.147 10 0 CEAELO CC(C)(C)OC(=O)N1CCOCC[C@H]1c1[nH]cc[nH+]1 ZINC000616661271 348552898 /nfs/dbraw/zinc/55/28/98/348552898.db2.gz YQURJWBGYYTOBF-JTQLQIEISA-N 1 2 267.329 2.108 10 0 CEAELO CCc1ccc(-c2c[nH]c([C@@H]3COCC[NH2+]3)n2)cc1 ZINC000088373069 179587073 /nfs/dbraw/zinc/58/70/73/179587073.db2.gz FHXGXAXDEBKBGD-AWEZNQCLSA-N 1 2 257.337 2.300 10 0 CEAELO Cn1c[nH+]cc1[C@@H](CO)Nc1ccccc1Br ZINC000090169390 179924952 /nfs/dbraw/zinc/92/49/52/179924952.db2.gz ZDJUTVVTGFOCDF-LLVKDONJSA-N 1 2 296.168 2.328 10 0 CEAELO C[C@@H]1C[NH2+][C@H]2c3ccccc3CCC[C@@H]2S(=O)(=O)C1 ZINC000090352038 179972748 /nfs/dbraw/zinc/97/27/48/179972748.db2.gz AEHVPIRKVHAPPJ-UGFHNGPFSA-N 1 2 279.405 2.087 10 0 CEAELO CC1(C)C[S@@](=O)C[C@@H](c2ccccc2OC(F)F)[NH2+]1 ZINC000090357814 179975849 /nfs/dbraw/zinc/97/58/49/179975849.db2.gz ZZELIMLACFBHDT-APBUJDDRSA-N 1 2 289.347 2.460 10 0 CEAELO COC(=O)[C@@](CO[C@@H](C)C(F)(F)F)([NH2+]C1CC1)C1CC1 ZINC000090674226 180021590 /nfs/dbraw/zinc/02/15/90/180021590.db2.gz YFVVJRZDWKTHDB-UFBFGSQYSA-N 1 2 295.301 2.028 10 0 CEAELO CCOC(=O)[C@H](CCO[C@H](C)C(F)(F)F)[NH2+]C(C)C ZINC000090674331 180021829 /nfs/dbraw/zinc/02/18/29/180021829.db2.gz WCOJBUGLZYQRFA-ZJUUUORDSA-N 1 2 285.306 2.274 10 0 CEAELO COC(=O)c1cc(NC[C@](C)(O)CC(C)C)cc[nH+]1 ZINC000090738663 180035128 /nfs/dbraw/zinc/03/51/28/180035128.db2.gz FFDZFTMFZBKHHM-CQSZACIVSA-N 1 2 266.341 2.077 10 0 CEAELO CCC[N@@H+](CC(=O)OCC)C[C@H]1Cc2ccccc2O1 ZINC000090876765 180052278 /nfs/dbraw/zinc/05/22/78/180052278.db2.gz IBACLRNBGCLZGJ-CQSZACIVSA-N 1 2 277.364 2.265 10 0 CEAELO CCC[N@H+](CC(=O)OCC)C[C@H]1Cc2ccccc2O1 ZINC000090876765 180052280 /nfs/dbraw/zinc/05/22/80/180052280.db2.gz IBACLRNBGCLZGJ-CQSZACIVSA-N 1 2 277.364 2.265 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090904098 180059663 /nfs/dbraw/zinc/05/96/63/180059663.db2.gz ATBPFFPOLMBVOP-JOYOIKCWSA-N 1 2 283.755 2.185 10 0 CEAELO CC[NH2+]Cc1cnn(C[C@@H]2Cc3cc(C)ccc3O2)c1 ZINC000090901923 180060176 /nfs/dbraw/zinc/06/01/76/180060176.db2.gz MECXUBLOFYWWJL-HNNXBMFYSA-N 1 2 271.364 2.305 10 0 CEAELO CCOC(=O)[C@@H](C)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090904095 180060419 /nfs/dbraw/zinc/06/04/19/180060419.db2.gz ATBPFFPOLMBVOP-SKDRFNHKSA-N 1 2 283.755 2.185 10 0 CEAELO CCCNc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000090907371 180060857 /nfs/dbraw/zinc/06/08/57/180060857.db2.gz VSJXQCFXQAVEJB-OKILXGFUSA-N 1 2 261.369 2.267 10 0 CEAELO CCCNc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000090907371 180060859 /nfs/dbraw/zinc/06/08/59/180060859.db2.gz VSJXQCFXQAVEJB-OKILXGFUSA-N 1 2 261.369 2.267 10 0 CEAELO O=c1nc(C[NH2+]C[C@@H]2Cc3ccccc32)[nH]c2ccsc21 ZINC000090992590 180082448 /nfs/dbraw/zinc/08/24/48/180082448.db2.gz PTIPBTTXDDTOCT-NSHDSACASA-N 1 2 297.383 2.414 10 0 CEAELO CC[C@H](C)[C@@H]([NH2+]Cc1cccn1CC)C(=O)OC ZINC000091024773 180089414 /nfs/dbraw/zinc/08/94/14/180089414.db2.gz PUSYKHREKBPPCT-WCQYABFASA-N 1 2 252.358 2.185 10 0 CEAELO CCn1nc(C)cc1C[C@@H](O)c1c[nH+]cn1C(C)C ZINC000091273337 180117794 /nfs/dbraw/zinc/11/77/94/180117794.db2.gz GLDQUUGDEAYKTR-CQSZACIVSA-N 1 2 262.357 2.265 10 0 CEAELO CCOC(=O)[C@@H](C(C)C)[C@@H](O)c1c[nH+]cn1C(C)C ZINC000091273917 180119040 /nfs/dbraw/zinc/11/90/40/180119040.db2.gz JYIKQIBYBFXEPS-STQMWFEESA-N 1 2 268.357 2.333 10 0 CEAELO NC(=O)c1ccc(F)c(NCc2c[nH+]cn2C2CC2)c1 ZINC000091274802 180119095 /nfs/dbraw/zinc/11/90/95/180119095.db2.gz AXAXHKCNIKFSFL-UHFFFAOYSA-N 1 2 274.299 2.068 10 0 CEAELO Cc1nn(Cc2c[nH+]cn2C2CC2)c(N)c1Cl ZINC000091276141 180119135 /nfs/dbraw/zinc/11/91/35/180119135.db2.gz HUPFBZOCPDEDEE-UHFFFAOYSA-N 1 2 251.721 2.007 10 0 CEAELO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC000105280841 186049515 /nfs/dbraw/zinc/04/95/15/186049515.db2.gz FTRNPGMRRXKWMU-LLVKDONJSA-N 1 2 297.786 2.101 10 0 CEAELO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC000105280841 186049517 /nfs/dbraw/zinc/04/95/17/186049517.db2.gz FTRNPGMRRXKWMU-LLVKDONJSA-N 1 2 297.786 2.101 10 0 CEAELO CCCc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000105283165 186049550 /nfs/dbraw/zinc/04/95/50/186049550.db2.gz YPCMBAZRASEGHB-OAHLLOKOSA-N 1 2 291.395 2.091 10 0 CEAELO CCCc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000105283165 186049552 /nfs/dbraw/zinc/04/95/52/186049552.db2.gz YPCMBAZRASEGHB-OAHLLOKOSA-N 1 2 291.395 2.091 10 0 CEAELO C[N@@H+]1CCO[C@H](C(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091688156 180226527 /nfs/dbraw/zinc/22/65/27/180226527.db2.gz UEIMYVAAFCNEJQ-ZDUSSCGKSA-N 1 2 287.281 2.148 10 0 CEAELO C[N@H+]1CCO[C@H](C(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091688156 180226529 /nfs/dbraw/zinc/22/65/29/180226529.db2.gz UEIMYVAAFCNEJQ-ZDUSSCGKSA-N 1 2 287.281 2.148 10 0 CEAELO CCCNc1nc([C@@H]2C[N@H+](C)CCO2)nc2c1CCCC2 ZINC000091722805 180242292 /nfs/dbraw/zinc/24/22/92/180242292.db2.gz HQXSEVREMVEPFA-AWEZNQCLSA-N 1 2 290.411 2.180 10 0 CEAELO CCCNc1nc([C@@H]2C[N@@H+](C)CCO2)nc2c1CCCC2 ZINC000091722805 180242294 /nfs/dbraw/zinc/24/22/94/180242294.db2.gz HQXSEVREMVEPFA-AWEZNQCLSA-N 1 2 290.411 2.180 10 0 CEAELO Nc1ccc(Cl)c(SCC[NH+]2CCOCC2)c1 ZINC000091929781 180288708 /nfs/dbraw/zinc/28/87/08/180288708.db2.gz IYIHFLPVRIJCLG-UHFFFAOYSA-N 1 2 272.801 2.347 10 0 CEAELO C[N@@H+]1CCO[C@@H](CSc2nc3ccc(N)cc3s2)C1 ZINC000092061124 180314901 /nfs/dbraw/zinc/31/49/01/180314901.db2.gz ZGWHZTSDSWEDKL-SNVBAGLBSA-N 1 2 295.433 2.301 10 0 CEAELO C[N@H+]1CCO[C@@H](CSc2nc3ccc(N)cc3s2)C1 ZINC000092061124 180314903 /nfs/dbraw/zinc/31/49/03/180314903.db2.gz ZGWHZTSDSWEDKL-SNVBAGLBSA-N 1 2 295.433 2.301 10 0 CEAELO C[C@@H](O)c1cc(Cl)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092059019 180315118 /nfs/dbraw/zinc/31/51/18/180315118.db2.gz AHIMNNAASNBTAN-PWSUYJOCSA-N 1 2 285.771 2.103 10 0 CEAELO C[C@@H](O)c1cc(Cl)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092059019 180315121 /nfs/dbraw/zinc/31/51/21/180315121.db2.gz AHIMNNAASNBTAN-PWSUYJOCSA-N 1 2 285.771 2.103 10 0 CEAELO COC(C)(C)c1nc(-c2ccccc2)cc(NN)[nH+]1 ZINC000092140883 180333597 /nfs/dbraw/zinc/33/35/97/180333597.db2.gz NROLRHNKBNEDGU-UHFFFAOYSA-N 1 2 258.325 2.311 10 0 CEAELO C[C@@H]1CN(c2[nH+]c3c(cc2C(N)=S)CCC3)C[C@H]1C ZINC000092090847 180322423 /nfs/dbraw/zinc/32/24/23/180322423.db2.gz OXTYGGWMUDEMLM-NXEZZACHSA-N 1 2 275.421 2.297 10 0 CEAELO Cc1cnn(C[C@H]2C[N@H+](Cc3cccc(F)c3)CCO2)c1 ZINC000105891748 186083952 /nfs/dbraw/zinc/08/39/52/186083952.db2.gz AOAUFWQDDASYJO-MRXNPFEDSA-N 1 2 289.354 2.232 10 0 CEAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3cccc(F)c3)CCO2)c1 ZINC000105891748 186083953 /nfs/dbraw/zinc/08/39/53/186083953.db2.gz AOAUFWQDDASYJO-MRXNPFEDSA-N 1 2 289.354 2.232 10 0 CEAELO COc1ccc2[nH+]c(N[C@H]3CCc4ncnn4C3)ccc2c1 ZINC000108948087 186238103 /nfs/dbraw/zinc/23/81/03/186238103.db2.gz QJUXGCOAMRVDKV-LBPRGKRZSA-N 1 2 295.346 2.262 10 0 CEAELO COc1ccc(-c2nc(N)cc(C3CC3)[nH+]2)cc1O ZINC000109527413 186260225 /nfs/dbraw/zinc/26/02/25/186260225.db2.gz PMVGHKGNRKVEQU-UHFFFAOYSA-N 1 2 257.293 2.317 10 0 CEAELO C[C@@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)CCN1C ZINC000110727231 186317691 /nfs/dbraw/zinc/31/76/91/186317691.db2.gz AJZDXCRAKKFCEC-GFCCVEGCSA-N 1 2 264.344 2.034 10 0 CEAELO C[C@@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)CCN1C ZINC000110727231 186317693 /nfs/dbraw/zinc/31/76/93/186317693.db2.gz AJZDXCRAKKFCEC-GFCCVEGCSA-N 1 2 264.344 2.034 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)c1ccc(N(C)C)c(N)c1 ZINC000111042973 186347517 /nfs/dbraw/zinc/34/75/17/186347517.db2.gz JBXMNFFQZLQZRV-UHFFFAOYSA-N 1 2 270.336 2.291 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)c1cc(N)ccc1N(C)C ZINC000111043012 186347521 /nfs/dbraw/zinc/34/75/21/186347521.db2.gz PCIZJFBYYNPPKH-UHFFFAOYSA-N 1 2 270.336 2.291 10 0 CEAELO Cc1c[nH+]ccc1NS(=O)(=O)c1cc(C)c(C)cc1N ZINC000111043210 186347583 /nfs/dbraw/zinc/34/75/83/186347583.db2.gz QHGVLQOXXBYETJ-UHFFFAOYSA-N 1 2 291.376 2.390 10 0 CEAELO CC[C@H](O)CN1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000123573274 187099110 /nfs/dbraw/zinc/09/91/10/187099110.db2.gz ZKROFGLQOSYKRI-KRWDZBQOSA-N 1 2 276.424 2.192 10 0 CEAELO CC(C)c1nnc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)o1 ZINC000152414082 539904052 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153294170 /nfs/dbraw/zinc/29/41/70/153294170.db2.gz GQSUMOMLOVTTFG-UHFFFAOYSA-N 1 2 273.340 2.050 10 0 CEAELO OCC[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000226803136 153338038 /nfs/dbraw/zinc/33/80/38/153338038.db2.gz JBUWUDQUDAEHDA-VIFPVBQESA-N 1 2 260.259 2.309 10 0 CEAELO CCS[C@@H]1CCCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263211744 154033630 /nfs/dbraw/zinc/03/36/30/154033630.db2.gz KIKBRMGCESJMKZ-GHMZBOCLSA-N 1 2 292.395 2.118 10 0 CEAELO Cc1cc([C@@H](C)NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)ccc1F ZINC000263312100 154055089 /nfs/dbraw/zinc/05/50/89/154055089.db2.gz YXFSEBJNSNCTOK-SKDRFNHKSA-N 1 2 286.297 2.309 10 0 CEAELO C[C@H](NC(=O)c1cn[nH]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173929877 165091249 /nfs/dbraw/zinc/09/12/49/165091249.db2.gz OQKOBUALAIAEHC-NSHDSACASA-N 1 2 281.319 2.086 10 0 CEAELO O[C@H]1c2cc(Cl)ccc2OC[C@@H]1n1cc[nH+]c1 ZINC000027332183 171514012 /nfs/dbraw/zinc/51/40/12/171514012.db2.gz ZDSBZDKEOGSOHL-JQWIXIFHSA-N 1 2 250.685 2.204 10 0 CEAELO C[C@@H](Nc1[nH+]cccc1C(N)=S)c1ccncc1 ZINC000035693918 172363261 /nfs/dbraw/zinc/36/32/61/172363261.db2.gz JZUWBLBIQICGEV-SECBINFHSA-N 1 2 258.350 2.284 10 0 CEAELO CCC(C)(C)NC(=O)[C@@H](C)Sc1ccc(N)[nH+]c1 ZINC000037192525 173022296 /nfs/dbraw/zinc/02/22/96/173022296.db2.gz MADCLFBBVLGZPX-SECBINFHSA-N 1 2 267.398 2.449 10 0 CEAELO Nc1ccc(NC(=O)C[NH+]2CCCC2)c(Br)c1 ZINC000037271977 173083009 /nfs/dbraw/zinc/08/30/09/173083009.db2.gz CTIKCROECVGZJP-UHFFFAOYSA-N 1 2 298.184 2.066 10 0 CEAELO CC[C@H](C)[NH2+][C@](C)(C(=O)OC)c1cccc(OC)c1 ZINC000038067041 174078063 /nfs/dbraw/zinc/07/80/63/174078063.db2.gz RAVSIPCZARDVMK-NHYWBVRUSA-N 1 2 265.353 2.472 10 0 CEAELO COc1ccc(-c2[nH]c([C@H]3C[C@@H](OC)C[NH2+]3)nc2C)cc1 ZINC000040637670 174361676 /nfs/dbraw/zinc/36/16/76/174361676.db2.gz IKNBBIZJPMEITQ-ZIAGYGMSSA-N 1 2 287.363 2.443 10 0 CEAELO Cc1cc(Nc2nc[nH+]c(NC3CCCC3)c2N)no1 ZINC000040681136 174375483 /nfs/dbraw/zinc/37/54/83/174375483.db2.gz NXLDNLSXFJOEOP-UHFFFAOYSA-N 1 2 274.328 2.453 10 0 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CCOC(=O)[C@@](C)(CCOC)[NH2+]Cc1ccccc1 ZINC000045044164 175295519 /nfs/dbraw/zinc/29/55/19/175295519.db2.gz FUAVQGQHHBLWKV-OAHLLOKOSA-N 1 2 265.353 2.135 10 0 CEAELO CCCCOCCNc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000045109753 175309340 /nfs/dbraw/zinc/30/93/40/175309340.db2.gz UUKRFPBOIMDXEM-UHFFFAOYSA-N 1 2 293.436 2.433 10 0 CEAELO CC[NH2+][C@@](C)(CN1c2ccccc2C[C@@H]1C)C(=O)OCC ZINC000045222611 175330660 /nfs/dbraw/zinc/33/06/60/175330660.db2.gz AAEYVUXDWXRMEM-GUYCJALGSA-N 1 2 290.407 2.369 10 0 CEAELO CC[N@H+](C[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CCCCC1 ZINC000045224011 175332121 /nfs/dbraw/zinc/33/21/21/175332121.db2.gz YACYDRKQUGFBFN-HNNXBMFYSA-N 1 2 270.417 2.482 10 0 CEAELO CC[N@@H+](C[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CCCCC1 ZINC000045224011 175332123 /nfs/dbraw/zinc/33/21/23/175332123.db2.gz YACYDRKQUGFBFN-HNNXBMFYSA-N 1 2 270.417 2.482 10 0 CEAELO CCC[NH2+][C@@](C)(CCN(C)CC(F)(F)F)C(=O)OCC ZINC000045272685 175343099 /nfs/dbraw/zinc/34/30/99/175343099.db2.gz FHMIGRJVFVOLFF-LBPRGKRZSA-N 1 2 298.349 2.192 10 0 CEAELO CCC[NH2+][C@](C)(CCN(C)CC(F)(F)F)C(=O)OCC ZINC000045272688 175343285 /nfs/dbraw/zinc/34/32/85/175343285.db2.gz FHMIGRJVFVOLFF-GFCCVEGCSA-N 1 2 298.349 2.192 10 0 CEAELO CCC[NH2+][C@@](C)(CN(CCC)CC(F)(F)F)C(=O)OC ZINC000045274364 175345226 /nfs/dbraw/zinc/34/52/26/175345226.db2.gz IUUXVLPSZNPOKJ-LBPRGKRZSA-N 1 2 298.349 2.192 10 0 CEAELO COCC[NH2+][C@H](c1nccs1)c1ccccc1OC ZINC000053289421 175546969 /nfs/dbraw/zinc/54/69/69/175546969.db2.gz JMIFWSRZCSBTFB-ZDUSSCGKSA-N 1 2 278.377 2.477 10 0 CEAELO C[C@H](Nc1cccc(-c2nncn2C)c1)c1[nH+]ccn1C ZINC000070444738 175936629 /nfs/dbraw/zinc/93/66/29/175936629.db2.gz JCYLKICJCUMIAQ-NSHDSACASA-N 1 2 282.351 2.389 10 0 CEAELO Nc1cc(C(=O)Cc2[nH]cc[nH+]2)ccc1Br ZINC000070671383 176000739 /nfs/dbraw/zinc/00/07/39/176000739.db2.gz WXFMHEIHVQHXGR-UHFFFAOYSA-N 1 2 280.125 2.180 10 0 CEAELO Cc1ccc(/C=C/C(=O)NCc2[nH]cc[nH+]2)c(C)c1 ZINC000070991676 176020157 /nfs/dbraw/zinc/02/01/57/176020157.db2.gz QWMNQADMHVPDFG-AATRIKPKSA-N 1 2 255.321 2.356 10 0 CEAELO CCC[NH2+][C@@H](COc1cc(F)ccc1F)C(=O)OCC ZINC000071168406 176049281 /nfs/dbraw/zinc/04/92/81/176049281.db2.gz DYWCZPSWLIBDEJ-LBPRGKRZSA-N 1 2 287.306 2.275 10 0 CEAELO CCOC(=O)[C@@H](CCn1ncc(Cl)c1C)[NH2+]C(C)C ZINC000080016590 177596528 /nfs/dbraw/zinc/59/65/28/177596528.db2.gz FZWJPMLBDHITPN-GFCCVEGCSA-N 1 2 287.791 2.165 10 0 CEAELO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CC[C@H](C)O1 ZINC000192254504 270277295 /nfs/dbraw/zinc/27/72/95/270277295.db2.gz MXRUCUVCHFSUMY-UONOGXRCSA-N 1 2 293.411 2.252 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)c1cnccn1)C2 ZINC000184534828 278075876 /nfs/dbraw/zinc/07/58/76/278075876.db2.gz OHSAKJZBTTWKTD-LBPRGKRZSA-N 1 2 285.395 2.453 10 0 CEAELO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2)CCS1 ZINC000171702794 280097845 /nfs/dbraw/zinc/09/78/45/280097845.db2.gz WCUQTFIXQQFIOA-NSHDSACASA-N 1 2 250.367 2.062 10 0 CEAELO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2)CCS1 ZINC000171702794 280097846 /nfs/dbraw/zinc/09/78/46/280097846.db2.gz WCUQTFIXQQFIOA-NSHDSACASA-N 1 2 250.367 2.062 10 0 CEAELO c1ccc(OCc2n[nH]c(C[NH2+]Cc3ccccn3)n2)cc1 ZINC000185765533 280126330 /nfs/dbraw/zinc/12/63/30/280126330.db2.gz RVFLGJGQEFZZBU-UHFFFAOYSA-N 1 2 295.346 2.069 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)c1c(OC)cccc1OC ZINC000189678313 280154632 /nfs/dbraw/zinc/15/46/32/280154632.db2.gz FCTAEOBVBDJPFX-FQEVSTJZSA-N 1 2 294.376 2.228 10 0 CEAELO CC[C@H](C)NC(=O)[C@H](C)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000247634557 280335615 /nfs/dbraw/zinc/33/56/15/280335615.db2.gz OASSBYXBJUZUPB-JOOBJXAISA-N 1 2 299.440 2.016 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1cc(C)cc(C)c1)C(=O)OC ZINC000062528849 520085736 /nfs/dbraw/zinc/08/57/36/520085736.db2.gz IUUQVXMWGDFGEF-HNNXBMFYSA-N 1 2 278.396 2.281 10 0 CEAELO CC[NH2+][C@@](C[N@@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095792 520149528 /nfs/dbraw/zinc/14/95/28/520149528.db2.gz BTNVNJSZULRSJH-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@H](CCOc1c(C)cccc1C)C(=O)OC ZINC000062547399 520191507 /nfs/dbraw/zinc/19/15/07/520191507.db2.gz HPZPKRWNXPOMTK-CYBMUJFWSA-N 1 2 265.353 2.223 10 0 CEAELO CCCNc1snnc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000050792878 520201595 /nfs/dbraw/zinc/20/15/95/520201595.db2.gz PXEUNTDOVOIUPE-LLVKDONJSA-N 1 2 284.429 2.097 10 0 CEAELO CCCNc1snnc1C[N@H+]1CCCC[C@@H]1CCO ZINC000050792878 520201604 /nfs/dbraw/zinc/20/16/04/520201604.db2.gz PXEUNTDOVOIUPE-LLVKDONJSA-N 1 2 284.429 2.097 10 0 CEAELO C[NH2+][C@@H](CCSCc1ccccc1)C(=O)OC ZINC000062598143 522348148 /nfs/dbraw/zinc/34/81/48/522348148.db2.gz QTDVNURKZJOACX-LBPRGKRZSA-N 1 2 253.367 2.071 10 0 CEAELO C[C@@H](CNC(=O)NCCCCC(C)(C)C)[NH+]1CCOCC1 ZINC000103853754 533951741 /nfs/dbraw/zinc/95/17/41/533951741.db2.gz OMSMYMRRDXHDDB-AWEZNQCLSA-N 1 2 299.459 2.223 10 0 CEAELO CC(C)[N@H+](CC1CC1)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069183562 519640549 /nfs/dbraw/zinc/64/05/49/519640549.db2.gz JLOVMJYFAPUKBI-INIZCTEOSA-N 1 2 280.412 2.092 10 0 CEAELO CC(C)[N@@H+](CC1CC1)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069183562 519640550 /nfs/dbraw/zinc/64/05/50/519640550.db2.gz JLOVMJYFAPUKBI-INIZCTEOSA-N 1 2 280.412 2.092 10 0 CEAELO CC(C)[NH2+][C@@](C[N@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095835 519737321 /nfs/dbraw/zinc/73/73/21/519737321.db2.gz PRKNFNWTFLLGIV-MRXNPFEDSA-N 1 2 282.428 2.482 10 0 CEAELO CC(C)[NH2+][C@@](C[N@@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095835 519737323 /nfs/dbraw/zinc/73/73/23/519737323.db2.gz PRKNFNWTFLLGIV-MRXNPFEDSA-N 1 2 282.428 2.482 10 0 CEAELO CC(C)[NH2+][C@](C[N@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095830 519740268 /nfs/dbraw/zinc/74/02/68/519740268.db2.gz PRKNFNWTFLLGIV-INIZCTEOSA-N 1 2 282.428 2.482 10 0 CEAELO CC(C)[NH2+][C@](C[N@@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095830 519740270 /nfs/dbraw/zinc/74/02/70/519740270.db2.gz PRKNFNWTFLLGIV-INIZCTEOSA-N 1 2 282.428 2.482 10 0 CEAELO CC(C)c1ccn(-c2nc(Cl)nc(-n3cc[nH+]c3)n2)n1 ZINC000061543182 519848110 /nfs/dbraw/zinc/84/81/10/519848110.db2.gz VPQBCHXWMFTQTI-UHFFFAOYSA-N 1 2 289.730 2.020 10 0 CEAELO CC(C)c1nc(CSc2ccc(N)[nH+]c2)no1 ZINC000049336387 519865182 /nfs/dbraw/zinc/86/51/82/519865182.db2.gz QSTDQEPMVWLWSC-UHFFFAOYSA-N 1 2 250.327 2.463 10 0 CEAELO CCCNC(=O)[C@H](C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000049194411 519893632 /nfs/dbraw/zinc/89/36/32/519893632.db2.gz WXWBIWJZSGJJBN-JTQLQIEISA-N 1 2 272.352 2.144 10 0 CEAELO CCNC(=O)c1ccc(NCc2[nH]c[nH+]c2C)c(C)c1 ZINC000054796730 519896609 /nfs/dbraw/zinc/89/66/09/519896609.db2.gz USAGHZHOIPFZRQ-UHFFFAOYSA-N 1 2 272.352 2.388 10 0 CEAELO CCC[NH2+][C@@](C[NH+]1CCCCCCC1)(C(=O)[O-])C1CC1 ZINC000069090897 520051889 /nfs/dbraw/zinc/05/18/89/520051889.db2.gz KHYSSQDPSBMADX-MRXNPFEDSA-N 1 2 282.428 2.486 10 0 CEAELO CCC[NH2+][C@](C[N@H+](C)C(CC)CC)(C(=O)[O-])C1CC1 ZINC000069099480 520116304 /nfs/dbraw/zinc/11/63/04/520116304.db2.gz IWTXBRBPDMSNQI-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](C)C(CC)CC)(C(=O)[O-])C1CC1 ZINC000069099480 520116312 /nfs/dbraw/zinc/11/63/12/520116312.db2.gz IWTXBRBPDMSNQI-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CC[NH2+][C@@](C[N@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095792 520149520 /nfs/dbraw/zinc/14/95/20/520149520.db2.gz BTNVNJSZULRSJH-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CCCNc1[nH+]cccc1CN1C(=O)N[C@@](C)(CC)C1=O ZINC000052732902 520195776 /nfs/dbraw/zinc/19/57/76/520195776.db2.gz WGBPSUIJFSGUJF-HNNXBMFYSA-N 1 2 290.367 2.124 10 0 CEAELO CCCNc1[nH+]cnc2c1cnn2-c1cc(C)ccn1 ZINC000062367345 520200577 /nfs/dbraw/zinc/20/05/77/520200577.db2.gz FHXWPEUOEXQWPM-UHFFFAOYSA-N 1 2 268.324 2.341 10 0 CEAELO CCCCCOC[C@@]([NH2+]C)(C(=O)OCC)C1CC1 ZINC000069198103 520246655 /nfs/dbraw/zinc/24/66/55/520246655.db2.gz MCBACKCCBAFUKM-AWEZNQCLSA-N 1 2 257.374 2.125 10 0 CEAELO CCNc1nc(C[N@@H+]2CCC[C@@H](O)C2)nc2sccc21 ZINC000050817163 520355571 /nfs/dbraw/zinc/35/55/71/520355571.db2.gz KOFLAXNCCBODQY-SNVBAGLBSA-N 1 2 292.408 2.080 10 0 CEAELO CCNc1nc(C[N@H+]2CCC[C@@H](O)C2)nc2sccc21 ZINC000050817163 520355579 /nfs/dbraw/zinc/35/55/79/520355579.db2.gz KOFLAXNCCBODQY-SNVBAGLBSA-N 1 2 292.408 2.080 10 0 CEAELO CCCSC[C@]([NH2+]CC)(C(=O)OCC)C1CC1 ZINC000069185317 520566258 /nfs/dbraw/zinc/56/62/58/520566258.db2.gz CKGYSNNYPOJPMG-CYBMUJFWSA-N 1 2 259.415 2.451 10 0 CEAELO CCC[C@@H](NC(=O)c1ccc(NN)[nH+]n1)c1cccs1 ZINC000051114796 520752452 /nfs/dbraw/zinc/75/24/52/520752452.db2.gz AZHXEYLSTXNMRS-SECBINFHSA-N 1 2 291.380 2.095 10 0 CEAELO CCCCOC[C@@]([NH2+]CC)(C(=O)OCC)C1CC1 ZINC000069198075 520802197 /nfs/dbraw/zinc/80/21/97/520802197.db2.gz FBFLSWUVOKEXHC-AWEZNQCLSA-N 1 2 257.374 2.125 10 0 CEAELO CCOC(=O)[C@@H](CCN(CC)c1ccccc1C)[NH2+]C ZINC000062437959 521058268 /nfs/dbraw/zinc/05/82/68/521058268.db2.gz LTTLLFCTDNWTOV-CQSZACIVSA-N 1 2 278.396 2.363 10 0 CEAELO CCOC(=O)[C@@H](CCOc1cccc(C)c1C)[NH2+]C ZINC000062548364 521062268 /nfs/dbraw/zinc/06/22/68/521062268.db2.gz BHIOJMMHXXEZGU-CYBMUJFWSA-N 1 2 265.353 2.223 10 0 CEAELO CCOC(=O)[C@@](COC(C)C)([NH2+]C(C)C)C1CC1 ZINC000069196337 521167166 /nfs/dbraw/zinc/16/71/66/521167166.db2.gz JJMOMRUYXHEJLD-AWEZNQCLSA-N 1 2 257.374 2.121 10 0 CEAELO CCOC(=O)[C@@](COCC(F)(F)F)([NH2+]C1CC1)C1CC1 ZINC000069196831 521167568 /nfs/dbraw/zinc/16/75/68/521167568.db2.gz FMPSNNPOWDLWJG-LBPRGKRZSA-N 1 2 295.301 2.029 10 0 CEAELO CCOC(=O)[C@@](COc1ccc(F)c(F)c1)([NH2+]C)C1CC1 ZINC000069198162 521169516 /nfs/dbraw/zinc/16/95/16/521169516.db2.gz SHIRIEWLETWRCU-HNNXBMFYSA-N 1 2 299.317 2.275 10 0 CEAELO CCOC(=O)[C@@](COc1cccc(F)c1F)([NH2+]C)C1CC1 ZINC000069198632 521170081 /nfs/dbraw/zinc/17/00/81/521170081.db2.gz NPFSDGISSFQCLW-HNNXBMFYSA-N 1 2 299.317 2.275 10 0 CEAELO CCC(CC)N(C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061537908 521544745 /nfs/dbraw/zinc/54/47/45/521544745.db2.gz LJWITVZDAFHDNE-UHFFFAOYSA-N 1 2 280.763 2.336 10 0 CEAELO CCC1(CC)CC[NH+](C[C@@]([NH2+]C)(C(=O)[O-])C2CC2)CC1 ZINC000069232546 521687830 /nfs/dbraw/zinc/68/78/30/521687830.db2.gz YNUCBDWZUQBCPQ-INIZCTEOSA-N 1 2 282.428 2.341 10 0 CEAELO CNC(=O)c1cc(NCc2c[nH+]c[nH]2)ccc1Cl ZINC000054765069 521785247 /nfs/dbraw/zinc/78/52/47/521785247.db2.gz WPUWPJZWUBMCLM-UHFFFAOYSA-N 1 2 264.716 2.035 10 0 CEAELO CNC(=O)c1cc(NCc2c[nH]c[nH+]2)ccc1Cl ZINC000054765069 521785254 /nfs/dbraw/zinc/78/52/54/521785254.db2.gz WPUWPJZWUBMCLM-UHFFFAOYSA-N 1 2 264.716 2.035 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)N(CC(F)(F)F)C(C)C)C(=O)OC ZINC000068629122 522415778 /nfs/dbraw/zinc/41/57/78/522415778.db2.gz JLYWOESXDGEYMN-PWSUYJOCSA-N 1 2 298.349 2.189 10 0 CEAELO C[NH2+][C@@](CN(C)c1ccc(C)cc1C)(C(=O)OC)C1CC1 ZINC000069231289 522424249 /nfs/dbraw/zinc/42/42/49/522424249.db2.gz FGZJPHWSAZITHL-QGZVFWFLSA-N 1 2 290.407 2.281 10 0 CEAELO CCc1[nH+]c2ccccc2n1CCn1cc(N)ccc1=O ZINC000062807186 522505246 /nfs/dbraw/zinc/50/52/46/522505246.db2.gz DJTNQGJTJHMMGG-UHFFFAOYSA-N 1 2 282.347 2.043 10 0 CEAELO C[NH2+][C@](C)(CCn1cc(-c2ccccc2)cn1)C(=O)OC ZINC000054961951 522518624 /nfs/dbraw/zinc/51/86/24/522518624.db2.gz ZVUKYPPXOUCHMT-MRXNPFEDSA-N 1 2 287.363 2.091 10 0 CEAELO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)Nc2cnoc2)c1 ZINC000061685645 522555727 /nfs/dbraw/zinc/55/57/27/522555727.db2.gz BKIINOWJGBPCQA-ZDUSSCGKSA-N 1 2 295.364 2.146 10 0 CEAELO CNc1[nH+]cccc1CSc1ncnc2[nH]cnc21 ZINC000052756631 522712234 /nfs/dbraw/zinc/71/22/34/522712234.db2.gz ADBCUIZULNWFSH-UHFFFAOYSA-N 1 2 272.337 2.082 10 0 CEAELO COC(=O)[C@@](CSC(C)C)([NH2+]C1CC1)C1CC1 ZINC000069188537 523823085 /nfs/dbraw/zinc/82/30/85/523823085.db2.gz OGPILAFSOCVZAH-ZDUSSCGKSA-N 1 2 257.399 2.202 10 0 CEAELO COC(=O)[C@](C)(C[C@H](C)n1nc(C)cc1C)[NH2+]C1CC1 ZINC000068648862 524001193 /nfs/dbraw/zinc/00/11/93/524001193.db2.gz HXJIHRMQLZIBFH-WFASDCNBSA-N 1 2 279.384 2.135 10 0 CEAELO CNC(=O)CCC[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000068817498 524064997 /nfs/dbraw/zinc/06/49/97/524064997.db2.gz AVNQSSFPGSWGMX-UHFFFAOYSA-N 1 2 286.759 2.295 10 0 CEAELO Cc1ccc(CC(=O)Nc2cc[nH+]cc2N)cc1C ZINC000062725817 524278457 /nfs/dbraw/zinc/27/84/57/524278457.db2.gz AOGIQQKEZAAMGH-UHFFFAOYSA-N 1 2 255.321 2.462 10 0 CEAELO C[C@H](Cc1ccco1)Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812894 524749438 /nfs/dbraw/zinc/74/94/38/524749438.db2.gz KLMUOVJHGWPNCB-SECBINFHSA-N 1 2 261.350 2.352 10 0 CEAELO COc1ccc(OC)c(Nc2cc[nH+]c(C(N)=S)c2)c1 ZINC000061812009 524872825 /nfs/dbraw/zinc/87/28/25/524872825.db2.gz TZVWBZMLGOEUMK-UHFFFAOYSA-N 1 2 289.360 2.477 10 0 CEAELO C[C@]([NH3+])(c1nc(C[C@@H]2CCCO2)no1)c1ccccc1 ZINC000052879350 525149842 /nfs/dbraw/zinc/14/98/42/525149842.db2.gz WXDCVUIUTHERII-SWLSCSKDSA-N 1 2 273.336 2.013 10 0 CEAELO COc1ccc([C@@H](C)O)cc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000055352279 525168716 /nfs/dbraw/zinc/16/87/16/525168716.db2.gz QPAFKLRQRONPQG-FRRDWIJNSA-N 1 2 279.380 2.358 10 0 CEAELO COc1ccc([C@@H](C)O)cc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000055352279 525168725 /nfs/dbraw/zinc/16/87/25/525168725.db2.gz QPAFKLRQRONPQG-FRRDWIJNSA-N 1 2 279.380 2.358 10 0 CEAELO CSCCCNc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000069444325 525487033 /nfs/dbraw/zinc/48/70/33/525487033.db2.gz PJPTUKOSRUEPRM-UHFFFAOYSA-N 1 2 281.450 2.370 10 0 CEAELO CSC[C@@H](C)CNc1cc[nH+]c(C(N)=S)c1 ZINC000069015039 525625717 /nfs/dbraw/zinc/62/57/17/525625717.db2.gz CHDHQIPWHNVAQT-QMMMGPOBSA-N 1 2 255.412 2.127 10 0 CEAELO COc1ccc2cc(CSCCO)c(N)[nH+]c2c1 ZINC000050838674 525633015 /nfs/dbraw/zinc/63/30/15/525633015.db2.gz RBWOCPSXFCJUHK-UHFFFAOYSA-N 1 2 264.350 2.051 10 0 CEAELO C[C@@H]1[C@@H](C)CCCN1c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061541984 525643887 /nfs/dbraw/zinc/64/38/87/525643887.db2.gz VPRLJXABKUSFNW-VHSXEESVSA-N 1 2 292.774 2.336 10 0 CEAELO C[C@@H](Nc1cc[nH+]c(C(N)=S)c1)c1ccccn1 ZINC000061812540 525721066 /nfs/dbraw/zinc/72/10/66/525721066.db2.gz JINRQQYWJWKDNU-SECBINFHSA-N 1 2 258.350 2.284 10 0 CEAELO COc1cccc(-c2[nH+]c(C(C)(C)C)n(N)c2N)c1 ZINC000052839691 525721734 /nfs/dbraw/zinc/72/17/34/525721734.db2.gz KTNPMSBURRKYLP-UHFFFAOYSA-N 1 2 260.341 2.152 10 0 CEAELO C[C@@]([NH3+])(c1nc(CC(F)(F)F)no1)c1ccccc1 ZINC000052879457 525751884 /nfs/dbraw/zinc/75/18/84/525751884.db2.gz PZJHHXLJRQNBPN-NSHDSACASA-N 1 2 271.242 2.397 10 0 CEAELO Cc1ccc(C(N)=S)c(NC[C@H]2Cc3ccccc3O2)[nH+]1 ZINC000051087417 526254595 /nfs/dbraw/zinc/25/45/95/526254595.db2.gz LSCCBTPSVPVSHC-GFCCVEGCSA-N 1 2 299.399 2.440 10 0 CEAELO Cc1[nH]c(CNc2cccc(C(=O)N(C)C)c2)c[nH+]1 ZINC000054822016 526899758 /nfs/dbraw/zinc/89/97/58/526899758.db2.gz BLZHXMLLAHTCEE-UHFFFAOYSA-N 1 2 258.325 2.032 10 0 CEAELO Cc1[nH]cc(CNc2cccc(C(=O)N(C)C)c2)[nH+]1 ZINC000054822016 526899761 /nfs/dbraw/zinc/89/97/61/526899761.db2.gz BLZHXMLLAHTCEE-UHFFFAOYSA-N 1 2 258.325 2.032 10 0 CEAELO NC(=S)c1cc(N(CC(F)(F)F)C2CC2)cc[nH+]1 ZINC000061813156 527115306 /nfs/dbraw/zinc/11/53/06/527115306.db2.gz DAYFBRMIYUFBOY-UHFFFAOYSA-N 1 2 275.299 2.247 10 0 CEAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccncc2)C1 ZINC000151507317 527439262 /nfs/dbraw/zinc/43/92/62/527439262.db2.gz YSBTVYSLYQIRHE-ZDUSSCGKSA-N 1 2 299.378 2.302 10 0 CEAELO Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)c[nH+]1 ZINC000061680402 527492488 /nfs/dbraw/zinc/49/24/88/527492488.db2.gz MIUBWVWQOYQDMJ-UHFFFAOYSA-N 1 2 266.304 2.326 10 0 CEAELO FC(F)(F)COc1ccc(NCc2c[nH+]c[nH]2)cn1 ZINC000054764236 527671893 /nfs/dbraw/zinc/67/18/93/527671893.db2.gz MEEDUYQPVVWBJE-UHFFFAOYSA-N 1 2 272.230 2.358 10 0 CEAELO FC(F)(F)COc1ccc(NCc2c[nH]c[nH+]2)cn1 ZINC000054764236 527671895 /nfs/dbraw/zinc/67/18/95/527671895.db2.gz MEEDUYQPVVWBJE-UHFFFAOYSA-N 1 2 272.230 2.358 10 0 CEAELO Cn1c(Cl)cnc1[C@@H]1[NH2+]CCc2sccc21 ZINC000397201020 570289922 /nfs/dbraw/zinc/28/99/22/570289922.db2.gz VVUONFGCKJMZSH-SNVBAGLBSA-N 1 2 253.758 2.370 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(c2nccc(C)n2)C1 ZINC000888102864 628870807 /nfs/dbraw/zinc/87/08/07/628870807.db2.gz RKPOKWVLKNIOMZ-OLZOCXBDSA-N 1 2 287.367 2.091 10 0 CEAELO CO[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173925906 639883519 /nfs/dbraw/zinc/88/35/19/639883519.db2.gz ZHRWVTKPMSQZHN-STQMWFEESA-N 1 2 287.363 2.475 10 0 CEAELO C[NH+](C)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000027472530 282115751 /nfs/dbraw/zinc/11/57/51/282115751.db2.gz UGUQMAQIWIFIJZ-YRNVUSSQSA-N 1 2 280.324 2.381 10 0 CEAELO CCn1cc[nH+]c1CSCc1ccc(C(N)=O)cc1 ZINC000175278003 529581913 /nfs/dbraw/zinc/58/19/13/529581913.db2.gz DONBVLXWRSTVNF-UHFFFAOYSA-N 1 2 275.377 2.435 10 0 CEAELO Cc1ncccc1-c1nnc([C@@H]([NH3+])c2ccccc2)o1 ZINC000083483989 178512519 /nfs/dbraw/zinc/51/25/19/178512519.db2.gz VIHKVJWAFKSRTI-ZDUSSCGKSA-N 1 2 266.304 2.488 10 0 CEAELO CCOc1cc([C@@H]2C[N@H+](C)CCC2=O)ccc1OC ZINC000090216308 344138834 /nfs/dbraw/zinc/13/88/34/344138834.db2.gz GSXQQALDBDMONK-LBPRGKRZSA-N 1 2 263.337 2.082 10 0 CEAELO CCOc1cc([C@@H]2C[N@@H+](C)CCC2=O)ccc1OC ZINC000090216308 344138835 /nfs/dbraw/zinc/13/88/35/344138835.db2.gz GSXQQALDBDMONK-LBPRGKRZSA-N 1 2 263.337 2.082 10 0 CEAELO CCn1cc[nH+]c1CNc1ccc(C(=O)OC)cc1 ZINC000051921408 362449695 /nfs/dbraw/zinc/44/96/95/362449695.db2.gz XDFSZCXDANGXQC-UHFFFAOYSA-N 1 2 259.309 2.302 10 0 CEAELO Cc1nnc([C@H]2C[N@H+](C/C=C\c3ccccc3)CCO2)[nH]1 ZINC000255765434 344646575 /nfs/dbraw/zinc/64/65/75/344646575.db2.gz BHXPOQGYOMBGPB-GTBONMDNSA-N 1 2 284.363 2.200 10 0 CEAELO Cc1nnc([C@H]2C[N@@H+](C/C=C\c3ccccc3)CCO2)[nH]1 ZINC000255765434 344646578 /nfs/dbraw/zinc/64/65/78/344646578.db2.gz BHXPOQGYOMBGPB-GTBONMDNSA-N 1 2 284.363 2.200 10 0 CEAELO Cc1occc1C(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000328641495 344757119 /nfs/dbraw/zinc/75/71/19/344757119.db2.gz XZJGBACGYRNPGV-GFCCVEGCSA-N 1 2 273.336 2.119 10 0 CEAELO CCc1cc(C)c(C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000328624412 344756666 /nfs/dbraw/zinc/75/66/66/344756666.db2.gz JVOMEUUIDUDNBO-GFCCVEGCSA-N 1 2 287.363 2.339 10 0 CEAELO CCCc1ccccc1Nc1nc(N)[nH+]c(N(C)C)n1 ZINC000059097836 362647276 /nfs/dbraw/zinc/64/72/76/362647276.db2.gz CVUWUUGCAWIZHR-UHFFFAOYSA-N 1 2 272.356 2.216 10 0 CEAELO CCn1cc[nH+]c1[C@H](Cc1c(F)cccc1Cl)NN ZINC000097522998 185621893 /nfs/dbraw/zinc/62/18/93/185621893.db2.gz XQDHQXHXTSNYFT-LBPRGKRZSA-N 1 2 282.750 2.443 10 0 CEAELO O=[S@@]1CCC[NH2+][C@H](c2ccccc2Br)C1 ZINC000085315345 179013687 /nfs/dbraw/zinc/01/36/87/179013687.db2.gz HATXAJCATSALEH-NHYWBVRUSA-N 1 2 288.210 2.232 10 0 CEAELO CN(Cc1[nH+]ccn1C)c1nc2c(s1)CCCC2=O ZINC000086441778 179294225 /nfs/dbraw/zinc/29/42/25/179294225.db2.gz AMJSHNXIJZOLLF-UHFFFAOYSA-N 1 2 276.365 2.032 10 0 CEAELO COc1ccc2[nH+]c(N3CCC[C@H](NC(C)=O)C3)ccc2c1 ZINC000178375196 542249315 /nfs/dbraw/zinc/24/93/15/542249315.db2.gz ORLRJIKNXYGJDT-AWEZNQCLSA-N 1 2 299.374 2.348 10 0 CEAELO Cn1ncnc1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000389311977 539573869 /nfs/dbraw/zinc/57/38/69/539573869.db2.gz ULLQRLWAKLLJJR-GFCCVEGCSA-N 1 2 272.352 2.207 10 0 CEAELO CC[C@@H](C)Nc1nc(NC)c(Br)c[nH+]1 ZINC000130325900 365944654 /nfs/dbraw/zinc/94/46/54/365944654.db2.gz HHZKMICFVVDFIW-ZCFIWIBFSA-N 1 2 259.151 2.491 10 0 CEAELO [NH3+][C@H](c1cnccn1)c1ncc(Cl)cc1Cl ZINC000086783639 179331736 /nfs/dbraw/zinc/33/17/36/179331736.db2.gz WXPALRRZRZLLAT-SECBINFHSA-N 1 2 255.108 2.227 10 0 CEAELO COc1ccc(-c2nc(N)c3c([nH+]2)CCC3)cc1F ZINC000086993910 179376003 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264.373 2.100 10 0 CEAELO CC(C)(C)NC(=O)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000041287319 174513159 /nfs/dbraw/zinc/51/31/59/174513159.db2.gz IGKDVCOBAWQWTG-UHFFFAOYSA-N 1 2 265.744 2.445 10 0 CEAELO Cn1cc[nH+]c1CCn1c(=O)c2ccsc2[nH]c1=S ZINC000045136159 175313456 /nfs/dbraw/zinc/31/34/56/175313456.db2.gz VTJHEMIBXZDMSY-UHFFFAOYSA-N 1 2 292.389 2.097 10 0 CEAELO CCOC(=O)[C@@](C)(CN(CC)c1ccccc1)[NH2+]C ZINC000045232058 175335705 /nfs/dbraw/zinc/33/57/05/175335705.db2.gz GVBUTWGOGQPGAU-OAHLLOKOSA-N 1 2 264.369 2.054 10 0 CEAELO CC1CCC([N@H+](C)C[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045280514 175349860 /nfs/dbraw/zinc/34/98/60/175349860.db2.gz PBKCUEYUTYPWHC-ABIUDSBCSA-N 1 2 268.401 2.092 10 0 CEAELO CC1CCC([N@@H+](C)C[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045280514 175349861 /nfs/dbraw/zinc/34/98/61/175349861.db2.gz PBKCUEYUTYPWHC-ABIUDSBCSA-N 1 2 268.401 2.092 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280507 175350465 /nfs/dbraw/zinc/35/04/65/175350465.db2.gz KGVRFPJNQJWHQC-SSDMNJCBSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280507 175350466 /nfs/dbraw/zinc/35/04/66/175350466.db2.gz KGVRFPJNQJWHQC-SSDMNJCBSA-N 1 2 270.417 2.340 10 0 CEAELO CCN(C[C@H]([NH2+]C(C)C)C(=O)OC)c1ccccc1C ZINC000045369799 175363960 /nfs/dbraw/zinc/36/39/60/175363960.db2.gz XSTPHQPIQQHRHX-AWEZNQCLSA-N 1 2 278.396 2.361 10 0 CEAELO CCC[NH2+][C@@H](CN(CC)c1ccccc1)C(=O)OC ZINC000045379830 175369088 /nfs/dbraw/zinc/36/90/88/175369088.db2.gz LTDMNXKAMPHQHP-AWEZNQCLSA-N 1 2 264.369 2.054 10 0 CEAELO CC[NH2+][C@@H](CN(CC)c1ccccc1)C(=O)OCC ZINC000045379823 175369464 /nfs/dbraw/zinc/36/94/64/175369464.db2.gz YFICUCIFIVGLGL-AWEZNQCLSA-N 1 2 264.369 2.054 10 0 CEAELO O=C(c1cc(Cl)ccc1F)N1CCn2cc[nH+]c2C1 ZINC000062253452 175666231 /nfs/dbraw/zinc/66/62/31/175666231.db2.gz CEAMGOXHVUGINC-UHFFFAOYSA-N 1 2 279.702 2.332 10 0 CEAELO CCO[C@H](C)c1nc2c(c(NN)[nH+]1)CCCCC2 ZINC000070833157 176007759 /nfs/dbraw/zinc/00/77/59/176007759.db2.gz DDGRATLZEFQWBF-SECBINFHSA-N 1 2 250.346 2.129 10 0 CEAELO CN(C[C@H]1CC[N@H+](C)C1)c1c(C[NH3+])c[nH+]c2ccccc21 ZINC000071187564 176061013 /nfs/dbraw/zinc/06/10/13/176061013.db2.gz HQIRLIAFEOCGSW-ZDUSSCGKSA-N 1 2 284.407 2.081 10 0 CEAELO CN(C[C@H]1CC[N@@H+](C)C1)c1c(C[NH3+])c[nH+]c2ccccc21 ZINC000071187564 176061015 /nfs/dbraw/zinc/06/10/15/176061015.db2.gz HQIRLIAFEOCGSW-ZDUSSCGKSA-N 1 2 284.407 2.081 10 0 CEAELO C[N@H+](Cc1ccc(F)cc1C(=O)[O-])C1CC[NH+](C)CC1 ZINC000071265108 176098459 /nfs/dbraw/zinc/09/84/59/176098459.db2.gz MPHLANJPDIFPRD-UHFFFAOYSA-N 1 2 280.343 2.050 10 0 CEAELO C[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CC[NH+](C)CC1 ZINC000071265108 176098460 /nfs/dbraw/zinc/09/84/60/176098460.db2.gz MPHLANJPDIFPRD-UHFFFAOYSA-N 1 2 280.343 2.050 10 0 CEAELO CCNc1ccc(C(=O)NCc2[nH+]ccn2C)cc1C ZINC000071275358 176106630 /nfs/dbraw/zinc/10/66/30/176106630.db2.gz GEKJGNRVTAXIMV-UHFFFAOYSA-N 1 2 272.352 2.090 10 0 CEAELO Cc1cccnc1Cn1c2ccc(N)cc2[nH+]c1[C@@H](C)O ZINC000071345237 176131493 /nfs/dbraw/zinc/13/14/93/176131493.db2.gz QBIQHWVDHMFEHK-LLVKDONJSA-N 1 2 282.347 2.424 10 0 CEAELO Cc1cc2[nH+]cn(CCn3ccc(N)n3)c2cc1C ZINC000071378376 176143028 /nfs/dbraw/zinc/14/30/28/176143028.db2.gz BETTUQKRCUKYTM-UHFFFAOYSA-N 1 2 255.325 2.132 10 0 CEAELO [NH3+]Cc1nc(CN2CCC[C@@H](C3CCCCC3)C2)no1 ZINC000662320786 415779419 /nfs/dbraw/zinc/77/94/19/415779419.db2.gz DRCMVOZARZQSFM-CYBMUJFWSA-N 1 2 278.400 2.321 10 0 CEAELO C[C@@H]1C[NH+](CC(=O)N(C2CC2)C2CCCC2)C[C@@H](C)O1 ZINC000076412087 177020616 /nfs/dbraw/zinc/02/06/16/177020616.db2.gz LILRXJRXFPOFLC-CHWSQXEVSA-N 1 2 280.412 2.029 10 0 CEAELO C[C@H]1Oc2c(cccc2C(=O)NCCc2c[nH+]c[nH]2)[C@H]1C ZINC000078742449 177380580 /nfs/dbraw/zinc/38/05/80/177380580.db2.gz XDRWBRFFGRJSGN-WDEREUQCSA-N 1 2 285.347 2.267 10 0 CEAELO C[C@H]1Oc2c(cccc2C(=O)NCCc2c[nH]c[nH+]2)[C@H]1C ZINC000078742449 177380581 /nfs/dbraw/zinc/38/05/81/177380581.db2.gz XDRWBRFFGRJSGN-WDEREUQCSA-N 1 2 285.347 2.267 10 0 CEAELO COc1cccc2c1cc[nH+]c2NCC1CC(O)C1 ZINC000235030173 280221052 /nfs/dbraw/zinc/22/10/52/280221052.db2.gz UXTOQIZTJYLFRO-UHFFFAOYSA-N 1 2 258.321 2.426 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000247103384 280320541 /nfs/dbraw/zinc/32/05/41/280320541.db2.gz ONPMYYYLSZRATH-OLZOCXBDSA-N 1 2 298.427 2.097 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000247103384 280320542 /nfs/dbraw/zinc/32/05/42/280320542.db2.gz ONPMYYYLSZRATH-OLZOCXBDSA-N 1 2 298.427 2.097 10 0 CEAELO CC(C)[C@H](c1[nH]cc[nH+]1)N1C(=O)c2ccccc2C1=O ZINC000073667161 280358695 /nfs/dbraw/zinc/35/86/95/280358695.db2.gz UKOORIWMMFPCJQ-GFCCVEGCSA-N 1 2 269.304 2.403 10 0 CEAELO Cn1c[nH+]c2c1CCN(C(=O)c1ccccc1Cl)C2 ZINC000368399505 294465074 /nfs/dbraw/zinc/46/50/74/294465074.db2.gz YPLSSPUDJYFAOB-UHFFFAOYSA-N 1 2 275.739 2.272 10 0 CEAELO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000156107202 298147575 /nfs/dbraw/zinc/14/75/75/298147575.db2.gz MYFMRMIXSXPDSM-NXEZZACHSA-N 1 2 290.285 2.484 10 0 CEAELO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000156107202 298147578 /nfs/dbraw/zinc/14/75/78/298147578.db2.gz MYFMRMIXSXPDSM-NXEZZACHSA-N 1 2 290.285 2.484 10 0 CEAELO Cn1c2c([nH+]c1[C@@H]1CCCN1c1ncccn1)CCCC2 ZINC000275567063 302900202 /nfs/dbraw/zinc/90/02/02/302900202.db2.gz INLOOQOLLVQDFG-AWEZNQCLSA-N 1 2 283.379 2.430 10 0 CEAELO CCn1nc(C)c([C@H](C)[NH2+]Cc2ncccn2)c1C ZINC000566926378 313876935 /nfs/dbraw/zinc/87/69/35/313876935.db2.gz JOFXAUSVNKBFAM-JTQLQIEISA-N 1 2 259.357 2.161 10 0 CEAELO CC(C)[NH2+][C@](C[N@@H+](CC1CC1)C(C)C)(C(=O)[O-])C1CC1 ZINC000069183615 519740779 /nfs/dbraw/zinc/74/07/79/519740779.db2.gz YPZBGAFMOMMDBW-INIZCTEOSA-N 1 2 282.428 2.338 10 0 CEAELO CC[NH2+][C@@H](CCN(CC)c1ccc(F)cc1)C(=O)OC ZINC000062530482 520086880 /nfs/dbraw/zinc/08/68/80/520086880.db2.gz PABNIZIIZJBSAA-AWEZNQCLSA-N 1 2 282.359 2.193 10 0 CEAELO CC[NH2+][C@@H](CCN(CC)c1ccccc1)C(=O)OC ZINC000062443885 520086062 /nfs/dbraw/zinc/08/60/62/520086062.db2.gz SFPJEQRGSRIZEE-AWEZNQCLSA-N 1 2 264.369 2.054 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](CC)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069099243 520118619 /nfs/dbraw/zinc/11/86/19/520118619.db2.gz PWBYXPBFXDSQDX-INIZCTEOSA-N 1 2 282.428 2.484 10 0 CEAELO CC1(C)CCC[N@H+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069516677 520328655 /nfs/dbraw/zinc/32/86/55/520328655.db2.gz LKXKTINKYCGRAC-MRXNPFEDSA-N 1 2 280.412 2.094 10 0 CEAELO CC1(C)CCC[N@@H+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069516677 520328661 /nfs/dbraw/zinc/32/86/61/520328661.db2.gz LKXKTINKYCGRAC-MRXNPFEDSA-N 1 2 280.412 2.094 10 0 CEAELO CC[C@@H](C)[N@@H+](CC)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069097586 522085565 /nfs/dbraw/zinc/08/55/65/522085565.db2.gz GAFQQAQHGWPMCX-IUODEOHRSA-N 1 2 270.417 2.338 10 0 CEAELO C(C[C@H]1CCCCO1)c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000069403368 518395838 /nfs/dbraw/zinc/39/58/38/518395838.db2.gz VKVDTTWTMSXUAB-NEPJUHHUSA-N 1 2 265.357 2.386 10 0 CEAELO CC(C)(C)OC(=O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000049537501 518795620 /nfs/dbraw/zinc/79/56/20/518795620.db2.gz AFGORYGXUTWMEF-AWEZNQCLSA-N 1 2 261.365 2.475 10 0 CEAELO CC(C)[NH2+][C@](C[N@H+](CC1CC1)C(C)C)(C(=O)[O-])C1CC1 ZINC000069183615 519740777 /nfs/dbraw/zinc/74/07/77/519740777.db2.gz YPZBGAFMOMMDBW-INIZCTEOSA-N 1 2 282.428 2.338 10 0 CEAELO CCC1=NN(c2ccc(OC)cc2)C(=O)[C@H]1CCC[NH3+] ZINC000069506714 519849710 /nfs/dbraw/zinc/84/97/10/519849710.db2.gz RAPKVPBARROFSE-ZDUSSCGKSA-N 1 2 275.352 2.163 10 0 CEAELO CCC1CCN(c2nc(Cl)nc(-n3cc[nH+]c3)n2)CC1 ZINC000061538544 519860238 /nfs/dbraw/zinc/86/02/38/519860238.db2.gz XLCSRIMBCFULMU-UHFFFAOYSA-N 1 2 292.774 2.337 10 0 CEAELO CCCc1[nH]n(Cc2ccccc2C)c(=O)c1CC[NH3+] ZINC000069506520 519893894 /nfs/dbraw/zinc/89/38/94/519893894.db2.gz GZPMETNJJKSSIP-AWEZNQCLSA-N 1 2 273.380 2.458 10 0 CEAELO CCC[NH2+][C@H](CCn1c(C)nc2ccccc21)C(=O)OC ZINC000062534690 520081376 /nfs/dbraw/zinc/08/13/76/520081376.db2.gz QJOCRRGAWHDNQT-CQSZACIVSA-N 1 2 289.379 2.276 10 0 CEAELO CCC[NH2+][C@H](c1nccn1CC)c1cccnc1OC ZINC000061446669 520091501 /nfs/dbraw/zinc/09/15/01/520091501.db2.gz WPTJUUQIOJZSQY-ZDUSSCGKSA-N 1 2 274.368 2.396 10 0 CEAELO CC[NH2+][C@@H](CCOc1cccc(F)c1F)C(=O)OCC ZINC000062653227 520092239 /nfs/dbraw/zinc/09/22/39/520092239.db2.gz FATDCMPHLWMNMN-NSHDSACASA-N 1 2 287.306 2.275 10 0 CEAELO CC[NH2+][C@@H](CCOc1cccc(CC)c1)C(=O)OC ZINC000062545220 520093082 /nfs/dbraw/zinc/09/30/82/520093082.db2.gz YRHKXHGOWLQWQP-AWEZNQCLSA-N 1 2 265.353 2.169 10 0 CEAELO CCC[NH2+][C@](C[N@H+](CC)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069099243 520118614 /nfs/dbraw/zinc/11/86/14/520118614.db2.gz PWBYXPBFXDSQDX-INIZCTEOSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)Sc1cnccn1)C(=O)OCC ZINC000068643172 520142532 /nfs/dbraw/zinc/14/25/32/520142532.db2.gz JFTYJNGNYLNPHP-RISCZKNCSA-N 1 2 297.424 2.279 10 0 CEAELO CC[NH2+][C@@](C[N@@H+]1CCCC[C@@H]1CC)(C(=O)[O-])C1CC1 ZINC000069097238 520153398 /nfs/dbraw/zinc/15/33/98/520153398.db2.gz CIQURAASTKCLBX-DZGCQCFKSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@@](C[N@H+]1CCCC[C@@H]1CC)(C(=O)[O-])C1CC1 ZINC000069097238 520153402 /nfs/dbraw/zinc/15/34/02/520153402.db2.gz CIQURAASTKCLBX-DZGCQCFKSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@](C)(CCOc1cc(F)cc(F)c1)C(=O)OC ZINC000054934062 520231571 /nfs/dbraw/zinc/23/15/71/520231571.db2.gz ZATKKBIGOFZTJI-CQSZACIVSA-N 1 2 287.306 2.275 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)n1nc(C)c(C)c1C)C(=O)OC ZINC000068649098 520237315 /nfs/dbraw/zinc/23/73/15/520237315.db2.gz BWAIMKXSVVCSJQ-MEBBXXQBSA-N 1 2 281.400 2.301 10 0 CEAELO CC[NH2+][C@](Cn1c(C)[nH+]c2ccccc21)(C(=O)[O-])C1CC1 ZINC000069191766 520252909 /nfs/dbraw/zinc/25/29/09/520252909.db2.gz YTLIVBAXGXMXRX-INIZCTEOSA-N 1 2 287.363 2.188 10 0 CEAELO CCNc1cc(CSc2nccc(=O)[nH]2)cc[nH+]1 ZINC000052756232 520272625 /nfs/dbraw/zinc/27/26/25/520272625.db2.gz UBDUBYKOTDEJAE-UHFFFAOYSA-N 1 2 262.338 2.301 10 0 CEAELO CCNc1[nH+]cccc1CN1CC(=O)Nc2ccccc21 ZINC000052718225 520377961 /nfs/dbraw/zinc/37/79/61/520377961.db2.gz KZNHOCATJTVAQF-UHFFFAOYSA-N 1 2 282.347 2.472 10 0 CEAELO CCCOc1ccc([NH2+]CCCC(=O)NC)cc1 ZINC000068818145 520401150 /nfs/dbraw/zinc/40/11/50/520401150.db2.gz REFNMERMQAPJFI-UHFFFAOYSA-N 1 2 250.342 2.414 10 0 CEAELO CCOC(=O)[C@@H](C)NC1=[NH+][C@H](CC(C)C)CS1 ZINC000049374832 521021984 /nfs/dbraw/zinc/02/19/84/521021984.db2.gz GEDCALBWFIJIKQ-NXEZZACHSA-N 1 2 258.387 2.045 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccc2c(c1)CCC2)[NH2+]C ZINC000062545615 521062377 /nfs/dbraw/zinc/06/23/77/521062377.db2.gz PCNBWVYGTDJYRB-OAHLLOKOSA-N 1 2 277.364 2.095 10 0 CEAELO CCOC(=O)[C@@](COC1CCCCC1)([NH2+]C)C1CC1 ZINC000069196753 521166101 /nfs/dbraw/zinc/16/61/01/521166101.db2.gz QQVFECZTDAWJKR-HNNXBMFYSA-N 1 2 269.385 2.267 10 0 CEAELO CCOC(=O)[C@H](CSc1ccc(F)cc1)[NH2+]C ZINC000045559107 521254307 /nfs/dbraw/zinc/25/43/07/521254307.db2.gz SGCPQWGPPGZZJV-NSHDSACASA-N 1 2 257.330 2.069 10 0 CEAELO CC[C@@H](C)[N@H+](CC)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069097586 522085559 /nfs/dbraw/zinc/08/55/59/522085559.db2.gz GAFQQAQHGWPMCX-IUODEOHRSA-N 1 2 270.417 2.338 10 0 CEAELO CCc1[nH+]c(-c2ccc(Br)cc2)c(N)n1N ZINC000052838748 522145927 /nfs/dbraw/zinc/14/59/27/522145927.db2.gz QSHKQXDAIHXABJ-UHFFFAOYSA-N 1 2 281.157 2.171 10 0 CEAELO C[NH2+][C@@H](CCO[C@H]1CCCc2ccccc21)C(=O)OC ZINC000062544519 522345557 /nfs/dbraw/zinc/34/55/57/522345557.db2.gz AQYWFQGZORDMMJ-GJZGRUSLSA-N 1 2 277.364 2.232 10 0 CEAELO CC[C@@H](C)[C@H]([NH2+]Cc1cc(C)n(C)c1C)C(=O)OC ZINC000052790142 522385097 /nfs/dbraw/zinc/38/50/97/522385097.db2.gz ZNECKQYMXPPFRM-YGRLFVJLSA-N 1 2 266.385 2.319 10 0 CEAELO CCc1nc(N2CC[NH+](C(C)C)CC2)sc1C=O ZINC000054967318 522386611 /nfs/dbraw/zinc/38/66/11/522386611.db2.gz HEWZEGPPBZTHHM-UHFFFAOYSA-N 1 2 267.398 2.048 10 0 CEAELO COc1ccc(-c2ccc(N)[nH+]c2)c(OC)c1OC ZINC000052886431 523134394 /nfs/dbraw/zinc/13/43/94/523134394.db2.gz AIMYKVCUQFDNRZ-UHFFFAOYSA-N 1 2 260.293 2.357 10 0 CEAELO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1cc(C)n(C)c1C ZINC000052789977 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ZINC000061813255 524357374 /nfs/dbraw/zinc/35/73/74/524357374.db2.gz QJQPVEFMXBXJEM-UHFFFAOYSA-N 1 2 273.361 2.492 10 0 CEAELO Cc1cc([NH2+]CC2CCOCC2)ccc1NS(C)(=O)=O ZINC000052178272 525267279 /nfs/dbraw/zinc/26/72/79/525267279.db2.gz QYKDBZRTGNZVPM-UHFFFAOYSA-N 1 2 298.408 2.205 10 0 CEAELO Cc1csc([C@H]2C[N@H+](Cc3cccnc3)CCO2)n1 ZINC000157056979 526446035 /nfs/dbraw/zinc/44/60/35/526446035.db2.gz AQCNYZWZWJEJQB-CYBMUJFWSA-N 1 2 275.377 2.420 10 0 CEAELO Cc1csc([C@H]2C[N@@H+](Cc3cccnc3)CCO2)n1 ZINC000157056979 526446041 /nfs/dbraw/zinc/44/60/41/526446041.db2.gz AQCNYZWZWJEJQB-CYBMUJFWSA-N 1 2 275.377 2.420 10 0 CEAELO Cc1nc(-c2cccc(NCc3c[nH+]c[nH]3)c2)n[nH]1 ZINC000054765083 526594018 /nfs/dbraw/zinc/59/40/18/526594018.db2.gz KGEUVHBDXQUNBV-UHFFFAOYSA-N 1 2 254.297 2.115 10 0 CEAELO Cc1nc(-c2cccc(NCc3c[nH]c[nH+]3)c2)n[nH]1 ZINC000054765083 526594024 /nfs/dbraw/zinc/59/40/24/526594024.db2.gz KGEUVHBDXQUNBV-UHFFFAOYSA-N 1 2 254.297 2.115 10 0 CEAELO 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/nfs/dbraw/zinc/17/51/42/180175142.db2.gz QNISELIQURFTBX-NSHDSACASA-N 1 2 275.396 2.278 10 0 CEAELO Cc1ccc2c(c1)[nH]c(=S)n2C[C@H]1C[N@H+](C)CCO1 ZINC000091674908 180225071 /nfs/dbraw/zinc/22/50/71/180225071.db2.gz PXCXAQHZPZMAHE-LLVKDONJSA-N 1 2 277.393 2.338 10 0 CEAELO Cc1ccc2c(c1)[nH]c(=S)n2C[C@H]1C[N@@H+](C)CCO1 ZINC000091674908 180225074 /nfs/dbraw/zinc/22/50/74/180225074.db2.gz PXCXAQHZPZMAHE-LLVKDONJSA-N 1 2 277.393 2.338 10 0 CEAELO C[N@@H+]1CCO[C@@H](Cn2c3ccccc3[nH]c2=S)C1 ZINC000091674874 180225095 /nfs/dbraw/zinc/22/50/95/180225095.db2.gz BENNUKOXHIAGGX-SNVBAGLBSA-N 1 2 263.366 2.029 10 0 CEAELO C[N@H+]1CCO[C@@H](Cn2c3ccccc3[nH]c2=S)C1 ZINC000091674874 180225098 /nfs/dbraw/zinc/22/50/98/180225098.db2.gz BENNUKOXHIAGGX-SNVBAGLBSA-N 1 2 263.366 2.029 10 0 CEAELO Cc1cc(C)c(C(=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000092005447 180305062 /nfs/dbraw/zinc/30/50/62/180305062.db2.gz PVKMNSRMONSBQC-OLZOCXBDSA-N 1 2 289.379 2.070 10 0 CEAELO 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CN(C)c1noc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000192721924 153214501 /nfs/dbraw/zinc/21/45/01/153214501.db2.gz CVCFVFJTAKPOMI-SNVBAGLBSA-N 1 2 262.313 2.066 10 0 CEAELO CCCCC1CCC(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000194637969 153263422 /nfs/dbraw/zinc/26/34/22/153263422.db2.gz SWRJORMLUCWVKC-GPANFISMSA-N 1 2 296.455 2.430 10 0 CEAELO CCCCC1CCC(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000194637969 153263425 /nfs/dbraw/zinc/26/34/25/153263425.db2.gz SWRJORMLUCWVKC-GPANFISMSA-N 1 2 296.455 2.430 10 0 CEAELO C[C@@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000194844761 153267477 /nfs/dbraw/zinc/26/74/77/153267477.db2.gz GTROSFUDNDURBI-ZFWWWQNUSA-N 1 2 282.428 2.040 10 0 CEAELO C[C@@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000194844761 153267480 /nfs/dbraw/zinc/26/74/80/153267480.db2.gz GTROSFUDNDURBI-ZFWWWQNUSA-N 1 2 282.428 2.040 10 0 CEAELO CCc1ccc(-c2noc([C@H]3[NH2+]CCO[C@@H]3C)n2)cc1 ZINC000263217419 154033715 /nfs/dbraw/zinc/03/37/15/154033715.db2.gz LCGAOEWHFYFRCN-MFKMUULPSA-N 1 2 273.336 2.348 10 0 CEAELO CCCCC[C@@H](C)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000172921535 165064660 /nfs/dbraw/zinc/06/46/60/165064660.db2.gz ARHRJTDLGGXWQZ-KGLIPLIRSA-N 1 2 270.417 2.040 10 0 CEAELO CCCCC[C@@H](C)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000172921535 165064665 /nfs/dbraw/zinc/06/46/65/165064665.db2.gz ARHRJTDLGGXWQZ-KGLIPLIRSA-N 1 2 270.417 2.040 10 0 CEAELO Cc1cc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000173951702 165090188 /nfs/dbraw/zinc/09/01/88/165090188.db2.gz SNUNYAPXBFFXLT-LBPRGKRZSA-N 1 2 295.346 2.395 10 0 CEAELO CC(C)CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175449281 165136969 /nfs/dbraw/zinc/13/69/69/165136969.db2.gz LSADNSUULGMXEU-LSDHHAIUSA-N 1 2 296.455 2.238 10 0 CEAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCC2CCC2)C1 ZINC000177953818 165216252 /nfs/dbraw/zinc/21/62/52/165216252.db2.gz DMPDYDNQHIMXDT-AWEZNQCLSA-N 1 2 290.411 2.184 10 0 CEAELO Cc1nc(Cl)sc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000035357003 172147568 /nfs/dbraw/zinc/14/75/68/172147568.db2.gz OIYSNZGFNRZOIF-UHFFFAOYSA-N 1 2 289.769 2.301 10 0 CEAELO C[N@@H+](CC(=O)Nc1ccccc1N)Cc1cccs1 ZINC000035716701 172369732 /nfs/dbraw/zinc/36/97/32/172369732.db2.gz CQRRAEZVBYVAGW-UHFFFAOYSA-N 1 2 275.377 2.401 10 0 CEAELO C[N@H+](CC(=O)Nc1ccccc1N)Cc1cccs1 ZINC000035716701 172369730 /nfs/dbraw/zinc/36/97/30/172369730.db2.gz CQRRAEZVBYVAGW-UHFFFAOYSA-N 1 2 275.377 2.401 10 0 CEAELO COc1nc2sccn2c1C[NH2+]Cc1ccco1 ZINC000037184236 173016253 /nfs/dbraw/zinc/01/62/53/173016253.db2.gz UWEYMJGLLKKFLS-UHFFFAOYSA-N 1 2 263.322 2.287 10 0 CEAELO C[C@@H]1CCCCN1C(=O)CSc1ccc(N)[nH+]c1 ZINC000037192412 173020932 /nfs/dbraw/zinc/02/09/32/173020932.db2.gz JYDOIEHGAXMYDB-SNVBAGLBSA-N 1 2 265.382 2.157 10 0 CEAELO Nc1ccc(SCC(=O)N2CCCCCC2)c[nH+]1 ZINC000037192611 173022292 /nfs/dbraw/zinc/02/22/92/173022292.db2.gz PRYURSMNUARNQU-UHFFFAOYSA-N 1 2 265.382 2.159 10 0 CEAELO C[C@H]([NH2+][C@H]1CSCc2ccccc21)c1nncn1C ZINC000037293920 173098438 /nfs/dbraw/zinc/09/84/38/173098438.db2.gz UKCAGPJMWSUSOG-GWCFXTLKSA-N 1 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Cc1ccc(C(N)=S)c(NC[C@H]2CCCCO2)[nH+]1 ZINC000043398520 175036613 /nfs/dbraw/zinc/03/66/13/175036613.db2.gz JAXFQLXEZPDGBJ-SNVBAGLBSA-N 1 2 265.382 2.005 10 0 CEAELO Cc1c(C)n(C[C@H]2CCCOC2)c2nc(C)[nH+]c(N)c12 ZINC000044982623 175283707 /nfs/dbraw/zinc/28/37/07/175283707.db2.gz BHLXKFQIPBTHBF-GFCCVEGCSA-N 1 2 274.368 2.365 10 0 CEAELO CCC[NH2+][C@@](C)(CCN(C)c1ccccc1)C(=O)OC ZINC000045227724 175333309 /nfs/dbraw/zinc/33/33/09/175333309.db2.gz IHEOBXXNTCVUMZ-INIZCTEOSA-N 1 2 278.396 2.444 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272046 175343167 /nfs/dbraw/zinc/34/31/67/175343167.db2.gz FNEMLVOCVSJLOH-SQWLQELKSA-N 1 2 282.428 2.340 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272046 175343168 /nfs/dbraw/zinc/34/31/68/175343168.db2.gz FNEMLVOCVSJLOH-SQWLQELKSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[NH2+][C@](C)(C[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273748 175343917 /nfs/dbraw/zinc/34/39/17/175343917.db2.gz GHAGXTXXJJXAGC-OAHLLOKOSA-N 1 2 272.433 2.443 10 0 CEAELO CC(C)C[NH+](CC(C)C)C[C@H]([NH2+]C(C)C)C(=O)[O-] ZINC000045420345 175378413 /nfs/dbraw/zinc/37/84/13/175378413.db2.gz DEVJJEQDLIZTFA-ZDUSSCGKSA-N 1 2 258.406 2.052 10 0 CEAELO COC(=O)[C@H](C)Oc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000045923898 175386964 /nfs/dbraw/zinc/38/69/64/175386964.db2.gz TWVAXLSODNXTAW-JTQLQIEISA-N 1 2 275.304 2.492 10 0 CEAELO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000070991159 176019555 /nfs/dbraw/zinc/01/95/55/176019555.db2.gz DONXYZOOTMHUOM-SECBINFHSA-N 1 2 279.727 2.147 10 0 CEAELO COC(=O)[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)C(C)C ZINC000071090632 176031354 /nfs/dbraw/zinc/03/13/54/176031354.db2.gz KYPAPNAVUYWUPU-CABCVRRESA-N 1 2 277.364 2.088 10 0 CEAELO Cn1cc[nH+]c1Cn1ccc2c1CC(C)(C)CC2=O ZINC000071275840 176106941 /nfs/dbraw/zinc/10/69/41/176106941.db2.gz NYTNNJIXQKBION-UHFFFAOYSA-N 1 2 257.337 2.425 10 0 CEAELO CCc1ccc(CCC(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000074785167 176614233 /nfs/dbraw/zinc/61/42/33/176614233.db2.gz MYZAJSZYLULNNV-UHFFFAOYSA-N 1 2 283.375 2.421 10 0 CEAELO Nc1[nH+]cccc1[C@@H](O)c1ccc2ccccc2n1 ZINC000078597847 177358043 /nfs/dbraw/zinc/35/80/43/177358043.db2.gz KUQMNXHOQQXPDS-CQSZACIVSA-N 1 2 251.289 2.294 10 0 CEAELO Cc1ccc(C=CC(=O)NCCc2c[nH+]c[nH]2)cc1 ZINC000078723723 177375500 /nfs/dbraw/zinc/37/55/00/177375500.db2.gz UBRHXFCDHQYBMQ-VOTSOKGWSA-N 1 2 255.321 2.090 10 0 CEAELO Cc1ccc(C=CC(=O)NCCc2c[nH]c[nH+]2)cc1 ZINC000078723723 177375502 /nfs/dbraw/zinc/37/55/02/177375502.db2.gz UBRHXFCDHQYBMQ-VOTSOKGWSA-N 1 2 255.321 2.090 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1ccc(F)cc1Cl ZINC000078723656 177375849 /nfs/dbraw/zinc/37/58/49/177375849.db2.gz BVWJXYYRPHLCCI-UHFFFAOYSA-N 1 2 267.691 2.175 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1ccc(F)cc1Cl ZINC000078723656 177375851 /nfs/dbraw/zinc/37/58/51/177375851.db2.gz BVWJXYYRPHLCCI-UHFFFAOYSA-N 1 2 267.691 2.175 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cc(Cl)c(Cl)[nH]1 ZINC000078740497 177380166 /nfs/dbraw/zinc/38/01/66/177380166.db2.gz WNHFFFYQMPXVKE-UHFFFAOYSA-N 1 2 273.123 2.017 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cc(Cl)c(Cl)[nH]1 ZINC000078740497 177380168 /nfs/dbraw/zinc/38/01/68/177380168.db2.gz WNHFFFYQMPXVKE-UHFFFAOYSA-N 1 2 273.123 2.017 10 0 CEAELO CN(C(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1)C1CC1 ZINC000195372284 419455449 /nfs/dbraw/zinc/45/54/49/419455449.db2.gz RXPQIEJSRQZNBM-GFCCVEGCSA-N 1 2 279.409 2.291 10 0 CEAELO CN(C(=O)C[N@H+]1CCCC[C@@H]1c1nccs1)C1CC1 ZINC000195372284 419455457 /nfs/dbraw/zinc/45/54/57/419455457.db2.gz RXPQIEJSRQZNBM-GFCCVEGCSA-N 1 2 279.409 2.291 10 0 CEAELO C[C@@H]1C[NH+](CCOCC(F)(F)C(F)(F)F)C[C@@H](C)O1 ZINC000188572868 270257383 /nfs/dbraw/zinc/25/73/83/270257383.db2.gz XUIZTPDOEHECHS-RKDXNWHRSA-N 1 2 291.260 2.310 10 0 CEAELO CC(C)c1nnc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)n1C ZINC000171410921 278098939 /nfs/dbraw/zinc/09/89/39/278098939.db2.gz VCVSUWDTCLFFAW-ZDUSSCGKSA-N 1 2 288.399 2.009 10 0 CEAELO CC(C)c1nnc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)n1C ZINC000171410921 278098940 /nfs/dbraw/zinc/09/89/40/278098940.db2.gz VCVSUWDTCLFFAW-ZDUSSCGKSA-N 1 2 288.399 2.009 10 0 CEAELO CC(C)(C)OC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114202488 278375239 /nfs/dbraw/zinc/37/52/39/278375239.db2.gz JTQAMRVPQLJKMF-GFCCVEGCSA-N 1 2 265.357 2.278 10 0 CEAELO CC(C)(C)OC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114202488 278375241 /nfs/dbraw/zinc/37/52/41/278375241.db2.gz JTQAMRVPQLJKMF-GFCCVEGCSA-N 1 2 265.357 2.278 10 0 CEAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(O)c1 ZINC000194909894 280198347 /nfs/dbraw/zinc/19/83/47/280198347.db2.gz WNSDABZZBCMESY-GWCFXTLKSA-N 1 2 258.325 2.169 10 0 CEAELO NC(=O)[C@@H]([NH2+][C@H]1COc2ccccc21)c1ccc(F)cc1 ZINC000171121501 295098924 /nfs/dbraw/zinc/09/89/24/295098924.db2.gz FCQFIEHJVCTNHB-ZFWWWQNUSA-N 1 2 286.306 2.075 10 0 CEAELO CCCC1CC[NH+](c2ccc(N)cc2C(N)=O)CC1 ZINC000050907147 519903990 /nfs/dbraw/zinc/90/39/90/519903990.db2.gz OEQFGZOOGVCNJC-UHFFFAOYSA-N 1 2 261.369 2.384 10 0 CEAELO CC[NH2+][C@@H](CCN(CC(F)(F)F)C(C)C)C(=O)OCC ZINC000062454605 520086623 /nfs/dbraw/zinc/08/66/23/520086623.db2.gz YWXITJYHBDPXPY-NSHDSACASA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@@H](CCOCCCC(C)C)C(=O)OCC ZINC000062543101 520090698 /nfs/dbraw/zinc/09/06/98/520090698.db2.gz OZYNNMLVTMFSJQ-ZDUSSCGKSA-N 1 2 259.390 2.371 10 0 CEAELO CC[NH2+][C@H](CCN(C)c1ccccc1C)C(=O)OCC ZINC000062529239 520186393 /nfs/dbraw/zinc/18/63/93/520186393.db2.gz BCCAQBSVFAOBAW-CQSZACIVSA-N 1 2 278.396 2.363 10 0 CEAELO CC[C@H](C)[C@@H]([NH2+][C@@H](C)Cc1ccco1)C(=O)OC ZINC000062771362 521862165 /nfs/dbraw/zinc/86/21/65/521862165.db2.gz QCYCSYHETVEPJD-GMXVVIOVSA-N 1 2 253.342 2.388 10 0 CEAELO COC(=O)c1cc(C[N@H+]2[C@H](C)COC[C@@H]2C)cs1 ZINC000411286531 533807277 /nfs/dbraw/zinc/80/72/77/533807277.db2.gz WBZANAAYRRQLFW-AOOOYVTPSA-N 1 2 269.366 2.144 10 0 CEAELO COC(=O)c1cc(C[N@@H+]2[C@H](C)COC[C@@H]2C)cs1 ZINC000411286531 533807282 /nfs/dbraw/zinc/80/72/82/533807282.db2.gz WBZANAAYRRQLFW-AOOOYVTPSA-N 1 2 269.366 2.144 10 0 CEAELO CC(C)(C)c1csc(NC(=O)c2cccc(NN)[nH+]2)n1 ZINC000051095103 519086992 /nfs/dbraw/zinc/08/69/92/519086992.db2.gz NFOJUQPJCKADQP-UHFFFAOYSA-N 1 2 291.380 2.374 10 0 CEAELO CC(C)[NH2+][C@@](C[N@@H+]1CCCC(C)(C)C1)(C(=O)[O-])C1CC1 ZINC000069516937 519737264 /nfs/dbraw/zinc/73/72/64/519737264.db2.gz ONEOZQQQQUAVTQ-MRXNPFEDSA-N 1 2 282.428 2.340 10 0 CEAELO CC(C)[NH2+][C@@](C[N@H+]1CCCC(C)(C)C1)(C(=O)[O-])C1CC1 ZINC000069516937 519737265 /nfs/dbraw/zinc/73/72/65/519737265.db2.gz ONEOZQQQQUAVTQ-MRXNPFEDSA-N 1 2 282.428 2.340 10 0 CEAELO CCCNC(=O)[C@@H](C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000049194409 519888817 /nfs/dbraw/zinc/88/88/17/519888817.db2.gz WXWBIWJZSGJJBN-SNVBAGLBSA-N 1 2 272.352 2.144 10 0 CEAELO CCC[NH2+][C@@H](CCN(CCC)CC(F)(F)F)C(=O)OC ZINC000062456013 519999681 /nfs/dbraw/zinc/99/96/81/519999681.db2.gz CBYLEVUXJBKCRX-NSHDSACASA-N 1 2 298.349 2.192 10 0 CEAELO CCC[NH2+][C@@H](CCOc1cccc(OC)c1)C(=O)OC ZINC000062548437 520004585 /nfs/dbraw/zinc/00/45/85/520004585.db2.gz LEHWUISGRPFKGM-AWEZNQCLSA-N 1 2 281.352 2.005 10 0 CEAELO CCC[NH2+][C@@H](COc1cccc(COC)c1)C(=O)OCC ZINC000069508848 520011033 /nfs/dbraw/zinc/01/10/33/520011033.db2.gz KIHCIKHUIIYQOO-HNNXBMFYSA-N 1 2 295.379 2.143 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](C)CC1CCCC1)(C(=O)[O-])C1CC1 ZINC000069233264 520050724 /nfs/dbraw/zinc/05/07/24/520050724.db2.gz NFNJBZQWOLQDJC-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](C)CC1CCCC1)(C(=O)[O-])C1CC1 ZINC000069233264 520050729 /nfs/dbraw/zinc/05/07/29/520050729.db2.gz NFNJBZQWOLQDJC-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@H](CCN1CCCc2ccccc21)C(=O)OC ZINC000062442807 520073833 /nfs/dbraw/zinc/07/38/33/520073833.db2.gz DPNFIBSYBPWPQS-OAHLLOKOSA-N 1 2 290.407 2.371 10 0 CEAELO CCC[NH2+][C@](C[NH+]1CCC(C)(C)CC1)(C(=O)[O-])C1CC1 ZINC000069232042 520121004 /nfs/dbraw/zinc/12/10/04/520121004.db2.gz GIVWRZLREZHEKS-INIZCTEOSA-N 1 2 282.428 2.341 10 0 CEAELO CC[NH2+][C@@](C)(CCn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062807979 520135064 /nfs/dbraw/zinc/13/50/64/520135064.db2.gz GLPVDICZEFQMBM-INIZCTEOSA-N 1 2 289.379 2.442 10 0 CEAELO CCCNc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC)cn1 ZINC000050814326 520158186 /nfs/dbraw/zinc/15/81/86/520158186.db2.gz YCLVRRPMRVTNGH-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CCCNc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC)cn1 ZINC000050814326 520158194 /nfs/dbraw/zinc/15/81/94/520158194.db2.gz YCLVRRPMRVTNGH-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CC[NH2+][C@@](COc1ccccc1C)(C(=O)OC)C1CC1 ZINC000069197469 520158870 /nfs/dbraw/zinc/15/88/70/520158870.db2.gz RTJWOXGRPFARIJ-MRXNPFEDSA-N 1 2 277.364 2.305 10 0 CEAELO CCCNc1[nH+]cnc2c1cnn2[C@H]1CCCC[C@@H]1O ZINC000062367155 520200025 /nfs/dbraw/zinc/20/00/25/520200025.db2.gz XGFNDSJSOUQBEH-RYUDHWBXSA-N 1 2 275.356 2.124 10 0 CEAELO CC[NH2+][C@H](Cn1c(CC)nc2ccccc21)C(=O)OCC ZINC000062808068 520205674 /nfs/dbraw/zinc/20/56/74/520205674.db2.gz SFQYRDOLWWMJKC-CYBMUJFWSA-N 1 2 289.379 2.140 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)N(CC)CC(F)(F)F)C(=O)OC ZINC000068629506 520236816 /nfs/dbraw/zinc/23/68/16/520236816.db2.gz HWHAXZDHLBTMPL-ZYHUDNBSSA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)Oc1cccc(OC)c1)C(=O)OC ZINC000068655576 520243543 /nfs/dbraw/zinc/24/35/43/520243543.db2.gz KGNJDEIVKBTPPQ-BLLLJJGKSA-N 1 2 295.379 2.394 10 0 CEAELO CC[NH2+][C@](C[N@H+](C)CC1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069183896 520245872 /nfs/dbraw/zinc/24/58/72/520245872.db2.gz ZZBCDSYVNLHWGL-INIZCTEOSA-N 1 2 282.428 2.341 10 0 CEAELO CC[NH2+][C@](C[N@@H+](C)CC1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069183896 520245881 /nfs/dbraw/zinc/24/58/81/520245881.db2.gz ZZBCDSYVNLHWGL-INIZCTEOSA-N 1 2 282.428 2.341 10 0 CEAELO CCCC[N@H+](C[C@@]([NH2+]C)(C(=O)[O-])C1CC1)[C@@H](C)CC ZINC000069191565 520541137 /nfs/dbraw/zinc/54/11/37/520541137.db2.gz MJRDBKMMIIVODO-WFASDCNBSA-N 1 2 270.417 2.340 10 0 CEAELO CCCC[N@@H+](C[C@@]([NH2+]C)(C(=O)[O-])C1CC1)[C@@H](C)CC ZINC000069191565 520541148 /nfs/dbraw/zinc/54/11/48/520541148.db2.gz MJRDBKMMIIVODO-WFASDCNBSA-N 1 2 270.417 2.340 10 0 CEAELO CC[NH+](CC)CCNc1[nH+]c2c(cc1C(=O)[O-])CCCC2 ZINC000054527187 520691846 /nfs/dbraw/zinc/69/18/46/520691846.db2.gz WLWLQTBZHVLVAU-UHFFFAOYSA-N 1 2 291.395 2.412 10 0 CEAELO CCCCOC[C@]([NH2+]C1CC1)(C(=O)OCC)C1CC1 ZINC000069198059 520810700 /nfs/dbraw/zinc/81/07/00/520810700.db2.gz WNWVHKCAEKJNAI-OAHLLOKOSA-N 1 2 269.385 2.267 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccc(C)cc1)[NH2+]C1CC1 ZINC000062543607 521060158 /nfs/dbraw/zinc/06/01/58/521060158.db2.gz RMSVGOKWOUUKES-OAHLLOKOSA-N 1 2 277.364 2.448 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@H](C)Sc1nccc(C)n1)[NH2+]C ZINC000068640457 521150859 /nfs/dbraw/zinc/15/08/59/521150859.db2.gz JXHSISUXTUHTGN-SMDDNHRTSA-N 1 2 297.424 2.197 10 0 CEAELO CCOC(=O)[C@@](C)(Cn1cc(-c2ccccc2)cn1)[NH2+]C ZINC000054961899 521153816 /nfs/dbraw/zinc/15/38/16/521153816.db2.gz VREPFNSCPCBMKO-MRXNPFEDSA-N 1 2 287.363 2.091 10 0 CEAELO CCOC(=O)[C@@](CSC(C)(C)C)([NH2+]C)C1CC1 ZINC000069185284 521169499 /nfs/dbraw/zinc/16/94/99/521169499.db2.gz SXFFINRTQVVKRE-ZDUSSCGKSA-N 1 2 259.415 2.449 10 0 CEAELO CCOC(=O)[C@H](C)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000049369205 521212839 /nfs/dbraw/zinc/21/28/39/521212839.db2.gz SXVCRMDIDAOAGW-OLZOCXBDSA-N 1 2 287.363 2.475 10 0 CEAELO CCOC(=O)[C@](COc1cccc(F)c1F)([NH2+]C)C1CC1 ZINC000069198631 521342896 /nfs/dbraw/zinc/34/28/96/521342896.db2.gz NPFSDGISSFQCLW-OAHLLOKOSA-N 1 2 299.317 2.275 10 0 CEAELO CCOC(=O)[C@](COc1cccc(OC)c1)([NH2+]C)C1CC1 ZINC000069197128 521343393 /nfs/dbraw/zinc/34/33/93/521343393.db2.gz KJJYWKBIVFRBDQ-MRXNPFEDSA-N 1 2 293.363 2.005 10 0 CEAELO CCOC(=O)[C@]1([NH2+]C2CCCC2)CCCSC1 ZINC000061590619 521358241 /nfs/dbraw/zinc/35/82/41/521358241.db2.gz GWLDDJIKQAICGF-ZDUSSCGKSA-N 1 2 257.399 2.348 10 0 CEAELO CCCc1[nH+]c(-c2ccc(Cl)cc2)c(N)n1N ZINC000052839372 521466135 /nfs/dbraw/zinc/46/61/35/521466135.db2.gz YLHSRADEZJPJIB-UHFFFAOYSA-N 1 2 250.733 2.452 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)N(CC(F)(F)F)C(C)C)C(=O)OC ZINC000068629118 522419922 /nfs/dbraw/zinc/41/99/22/522419922.db2.gz JLYWOESXDGEYMN-JQWIXIFHSA-N 1 2 298.349 2.189 10 0 CEAELO C[NH2+][C@H](CCSc1nc2cc(C)ccc2[nH]1)C(=O)OC ZINC000062604477 522466423 /nfs/dbraw/zinc/46/64/23/522466423.db2.gz BKTIEDXPOUNTOB-LLVKDONJSA-N 1 2 293.392 2.115 10 0 CEAELO C[NH2+][C@H](CCSc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC000062604477 522466428 /nfs/dbraw/zinc/46/64/28/522466428.db2.gz BKTIEDXPOUNTOB-LLVKDONJSA-N 1 2 293.392 2.115 10 0 CEAELO CCc1[nH+]c2ccccc2n1CC[C@H]([NH2+]C(C)C)C(=O)[O-] ZINC000062807999 522502085 /nfs/dbraw/zinc/50/20/85/522502085.db2.gz WUTIMYXSMCBCCG-ZDUSSCGKSA-N 1 2 289.379 2.440 10 0 CEAELO CNc1[nH+]c2cc(OC)ccc2cc1CN1CCCC1=O ZINC000050818361 522687376 /nfs/dbraw/zinc/68/73/76/522687376.db2.gz ZLGWZAVDIFYQHE-UHFFFAOYSA-N 1 2 285.347 2.408 10 0 CEAELO CN(Cc1ccccc1F)c1cc[nH+]c(C(N)=S)c1 ZINC000061812747 523373441 /nfs/dbraw/zinc/37/34/41/523373441.db2.gz GPKFGWKQSIZZHB-UHFFFAOYSA-N 1 2 275.352 2.491 10 0 CEAELO COC(=O)[C@@](C)(CCO[C@@H]1CCC[C@H](OC)C1)[NH2+]C1CC1 ZINC000069542177 523814968 /nfs/dbraw/zinc/81/49/68/523814968.db2.gz ZDZNZNVEINGYNA-SQWLQELKSA-N 1 2 299.411 2.034 10 0 CEAELO Cc1ccc(CC(=O)Nc2ccc(N)[nH+]c2)cc1C ZINC000061680251 524275658 /nfs/dbraw/zinc/27/56/58/524275658.db2.gz HZSIVKQSIKJQNH-UHFFFAOYSA-N 1 2 255.321 2.462 10 0 CEAELO C[C@H](O)c1ccc(F)cc1OCCn1cc[nH+]c1 ZINC000062748769 525855221 /nfs/dbraw/zinc/85/52/21/525855221.db2.gz IGPSLNKMPIZSPO-JTQLQIEISA-N 1 2 250.273 2.155 10 0 CEAELO Cc1ccc(C(=O)[O-])c(N[C@@H](C)C[NH+]2CCCCC2)[nH+]1 ZINC000054532232 526233031 /nfs/dbraw/zinc/23/30/31/526233031.db2.gz KSHREHAIYMSRDW-LBPRGKRZSA-N 1 2 277.368 2.375 10 0 CEAELO c1c[nH+]c(N2CCCC2)c(NCc2ccncn2)c1 ZINC000054789020 526541391 /nfs/dbraw/zinc/54/13/91/526541391.db2.gz SXSSHHSKZFJTNZ-UHFFFAOYSA-N 1 2 255.325 2.084 10 0 CEAELO O=C(C[N@H+]1CCC[C@@H](O)C1)c1cc2ccccc2o1 ZINC000049136719 526749558 /nfs/dbraw/zinc/74/95/58/526749558.db2.gz KQLQKOAQDUXEJL-GFCCVEGCSA-N 1 2 259.305 2.072 10 0 CEAELO O=C(C[N@@H+]1CCC[C@@H](O)C1)c1cc2ccccc2o1 ZINC000049136719 526749564 /nfs/dbraw/zinc/74/95/64/526749564.db2.gz KQLQKOAQDUXEJL-GFCCVEGCSA-N 1 2 259.305 2.072 10 0 CEAELO NC(=S)c1ccc(N2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000062796270 527120023 /nfs/dbraw/zinc/12/00/23/527120023.db2.gz UILHAFLFBQAFGE-UHFFFAOYSA-N 1 2 292.795 2.191 10 0 CEAELO Nc1cc(CN2C(=O)CCc3cc(F)ccc32)cc[nH+]1 ZINC000052733424 527448666 /nfs/dbraw/zinc/44/86/66/527448666.db2.gz UCJIRMOPNSEXDB-UHFFFAOYSA-N 1 2 271.295 2.282 10 0 CEAELO Nc1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000069400438 527482659 /nfs/dbraw/zinc/48/26/59/527482659.db2.gz KWYNFIYGSQOUAF-UHFFFAOYSA-N 1 2 291.292 2.088 10 0 CEAELO Nc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c[nH+]1 ZINC000061680404 527490883 /nfs/dbraw/zinc/49/08/83/527490883.db2.gz LATOKEWMGRHSBM-FPYGCLRLSA-N 1 2 257.268 2.455 10 0 CEAELO Cc1ncc(C[NH+]2CCN(C/C=C\Cl)CC2)s1 ZINC000255769139 625498424 /nfs/dbraw/zinc/49/84/24/625498424.db2.gz FWIOWUMPZWGCBW-IHWYPQMZSA-N 1 2 271.817 2.322 10 0 CEAELO O=S(=O)(/C=C\c1ccccc1)N1CCc2c[nH+]ccc21 ZINC000255277658 623493754 /nfs/dbraw/zinc/49/37/54/623493754.db2.gz KZHKNFZAUMLBSI-FLIBITNWSA-N 1 2 286.356 2.445 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(Cc2ccccn2)C1 ZINC000888102553 628871588 /nfs/dbraw/zinc/87/15/88/628871588.db2.gz AHSLYFMQKDYSBN-CABCVRRESA-N 1 2 286.379 2.384 10 0 CEAELO c1ccc(N2CCN(c3cncc4cccnc43)CC2)[nH+]c1 ZINC000223129846 639414879 /nfs/dbraw/zinc/41/48/79/639414879.db2.gz UBPGHCQLFKKAEZ-UHFFFAOYSA-N 1 2 291.358 2.351 10 0 CEAELO O=S(=O)(/C=C/c1ccccc1)N1CCc2c[nH+]ccc21 ZINC000175313747 641323279 /nfs/dbraw/zinc/32/32/79/641323279.db2.gz KZHKNFZAUMLBSI-DHZHZOJOSA-N 1 2 286.356 2.445 10 0 CEAELO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC000095531496 185005204 /nfs/dbraw/zinc/00/52/04/185005204.db2.gz GWDXIRCUAGZHSG-CYBMUJFWSA-N 1 2 272.352 2.251 10 0 CEAELO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000124473010 187139242 /nfs/dbraw/zinc/13/92/42/187139242.db2.gz GRSUGYGRXBGRTN-MRXNPFEDSA-N 1 2 283.375 2.191 10 0 CEAELO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000124473010 187139243 /nfs/dbraw/zinc/13/92/43/187139243.db2.gz GRSUGYGRXBGRTN-MRXNPFEDSA-N 1 2 283.375 2.191 10 0 CEAELO CC(C)(C)OC(=O)[C@H]([NH3+])[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000725263932 539212383 /nfs/dbraw/zinc/21/23/83/539212383.db2.gz VMACWTFORDURDU-MNOVXSKESA-N 1 2 289.734 2.182 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000220585633 539258574 /nfs/dbraw/zinc/25/85/74/539258574.db2.gz AHEKQTSQKMWALM-GFCCVEGCSA-N 1 2 287.338 2.279 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(F)cc1)CC2 ZINC000220585633 539258575 /nfs/dbraw/zinc/25/85/75/539258575.db2.gz AHEKQTSQKMWALM-GFCCVEGCSA-N 1 2 287.338 2.279 10 0 CEAELO Oc1cccc([C@H]2C[N@H+](Cc3cccnc3)CCO2)c1 ZINC000126560499 187248000 /nfs/dbraw/zinc/24/80/00/187248000.db2.gz IJDIXPZRBWTQBG-MRXNPFEDSA-N 1 2 270.332 2.361 10 0 CEAELO Oc1cccc([C@H]2C[N@@H+](Cc3cccnc3)CCO2)c1 ZINC000126560499 187248001 /nfs/dbraw/zinc/24/80/01/187248001.db2.gz IJDIXPZRBWTQBG-MRXNPFEDSA-N 1 2 270.332 2.361 10 0 CEAELO CCOC(=O)C1=C(O)C(C)(C)C[N@H+](Cc2ccccc2)C1 ZINC000140105946 344396691 /nfs/dbraw/zinc/39/66/91/344396691.db2.gz LDMQAVIBTBSPFI-AWEZNQCLSA-N 1 2 289.375 2.277 10 0 CEAELO CCOC(=O)C1=C(O)C(C)(C)C[N@@H+](Cc2ccccc2)C1 ZINC000140105946 344396693 /nfs/dbraw/zinc/39/66/93/344396693.db2.gz LDMQAVIBTBSPFI-AWEZNQCLSA-N 1 2 289.375 2.277 10 0 CEAELO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC(C)(C)C1=O ZINC000140105946 344396695 /nfs/dbraw/zinc/39/66/95/344396695.db2.gz LDMQAVIBTBSPFI-AWEZNQCLSA-N 1 2 289.375 2.277 10 0 CEAELO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC(C)(C)C1=O ZINC000140105946 344396698 /nfs/dbraw/zinc/39/66/98/344396698.db2.gz LDMQAVIBTBSPFI-AWEZNQCLSA-N 1 2 289.375 2.277 10 0 CEAELO Nc1[nH+]ccc(OC(F)(F)F)c1Br ZINC000238699439 344607987 /nfs/dbraw/zinc/60/79/87/344607987.db2.gz DUDRCMJWSGLVJD-UHFFFAOYSA-N 1 2 257.009 2.325 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ncccc1Br ZINC000306987654 344719320 /nfs/dbraw/zinc/71/93/20/344719320.db2.gz ZHHZBPMAXDMAKU-UHFFFAOYSA-N 1 2 267.130 2.488 10 0 CEAELO CN1CCN(C(=O)C2=CCCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328637488 344757116 /nfs/dbraw/zinc/75/71/16/344757116.db2.gz VZRVAPSKJOQRBB-CQSZACIVSA-N 1 2 288.395 2.115 10 0 CEAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1ccc(Cl)o1 ZINC000328626381 344756759 /nfs/dbraw/zinc/75/67/59/344756759.db2.gz LQRDMNBRVGZZBD-SNVBAGLBSA-N 1 2 293.754 2.464 10 0 CEAELO CCn1cc[nH+]c1[C@H](CCc1ccc(C)cc1)NN ZINC000097736769 185658879 /nfs/dbraw/zinc/65/88/79/185658879.db2.gz IRHYOTZOTKBFLN-AWEZNQCLSA-N 1 2 258.369 2.349 10 0 CEAELO CC1CCC(N(C)C(=O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000061744357 362689012 /nfs/dbraw/zinc/68/90/12/362689012.db2.gz AEGVRBDBWRCCEN-PIOWNMBXSA-N 1 2 282.428 2.133 10 0 CEAELO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)OC)C1(C)C ZINC000085382298 179045841 /nfs/dbraw/zinc/04/58/41/179045841.db2.gz ZCSQVENPKCZDFP-YNEHKIRRSA-N 1 2 271.401 2.367 10 0 CEAELO CN(C)c1nc(N)c(Br)c(C(C)(C)C)[nH+]1 ZINC000085460198 179068906 /nfs/dbraw/zinc/06/89/06/179068906.db2.gz VRTWDVCNDLBQSH-UHFFFAOYSA-N 1 2 273.178 2.185 10 0 CEAELO CNc1nc(C2CCOCC2)[nH+]c(C)c1Br ZINC000085459312 179068945 /nfs/dbraw/zinc/06/89/45/179068945.db2.gz QJEIFUMHPIMJLK-UHFFFAOYSA-N 1 2 286.173 2.483 10 0 CEAELO CNc1nc(C)[nH+]c(C2CC2)c1I ZINC000085462954 179069105 /nfs/dbraw/zinc/06/91/05/179069105.db2.gz RXHISJOPZMDPPD-UHFFFAOYSA-N 1 2 289.120 2.309 10 0 CEAELO COC(=O)[C@H](COc1cc(C)ccc1F)[NH2+]C(C)C ZINC000085560712 179094799 /nfs/dbraw/zinc/09/47/99/179094799.db2.gz MOOUPYYFTRJRFV-LBPRGKRZSA-N 1 2 269.316 2.053 10 0 CEAELO C[NH+](C)Cc1nc(N)c(Br)c(C(C)(C)C)n1 ZINC000085801295 179173644 /nfs/dbraw/zinc/17/36/44/179173644.db2.gz JNNNDSLWCMTGSW-UHFFFAOYSA-N 1 2 287.205 2.180 10 0 CEAELO C[C@@H]1CC[C@@H]([NH2+]c2cc3c(cc2N)OCC(=O)N3)[C@@H]1C ZINC000086070610 179224096 /nfs/dbraw/zinc/22/40/96/179224096.db2.gz KKXZSNZTBDRNKA-FXPVBKGRSA-N 1 2 275.352 2.446 10 0 CEAELO CCn1ncc(C[N@H+](C)Cc2snnc2C)c1C ZINC000065425590 362821563 /nfs/dbraw/zinc/82/15/63/362821563.db2.gz VXNJKLXOYVYJNN-UHFFFAOYSA-N 1 2 265.386 2.003 10 0 CEAELO CCn1ncc(C[N@@H+](C)Cc2snnc2C)c1C ZINC000065425590 362821568 /nfs/dbraw/zinc/82/15/68/362821568.db2.gz VXNJKLXOYVYJNN-UHFFFAOYSA-N 1 2 265.386 2.003 10 0 CEAELO C[C@H]([NH2+]C1COC1)c1ccccc1Br ZINC000087194748 179399749 /nfs/dbraw/zinc/39/97/49/179399749.db2.gz INHDJVPWSKWWQV-QMMMGPOBSA-N 1 2 256.143 2.499 10 0 CEAELO NC(=O)c1ccc([C@H]2COCC[N@@H+]2Cc2ccccc2)cc1 ZINC000616640531 348543689 /nfs/dbraw/zinc/54/36/89/348543689.db2.gz WWWCHKNLGVGOMG-QGZVFWFLSA-N 1 2 296.370 2.359 10 0 CEAELO NC(=O)c1ccc([C@H]2COCC[N@H+]2Cc2ccccc2)cc1 ZINC000616640531 348543692 /nfs/dbraw/zinc/54/36/92/348543692.db2.gz WWWCHKNLGVGOMG-QGZVFWFLSA-N 1 2 296.370 2.359 10 0 CEAELO c1ccc(C[N@@H+]2CCCOC[C@@H]2c2ncccn2)cc1 ZINC000616648900 348547088 /nfs/dbraw/zinc/54/70/88/348547088.db2.gz XZPHPIBXYMBXDI-OAHLLOKOSA-N 1 2 269.348 2.440 10 0 CEAELO c1ccc(C[N@H+]2CCCOC[C@@H]2c2ncccn2)cc1 ZINC000616648900 348547091 /nfs/dbraw/zinc/54/70/91/348547091.db2.gz XZPHPIBXYMBXDI-OAHLLOKOSA-N 1 2 269.348 2.440 10 0 CEAELO CC(C)(C)OC(=O)N1CCCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616650656 348547997 /nfs/dbraw/zinc/54/79/97/348547997.db2.gz COOITSLRRKQULH-GFCCVEGCSA-N 1 2 293.367 2.193 10 0 CEAELO CC(C)(C)OC(=O)N1CCOCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616657506 348550756 /nfs/dbraw/zinc/55/07/56/348550756.db2.gz BFYWNTLQGGUTLE-GFCCVEGCSA-N 1 2 293.367 2.193 10 0 CEAELO CC(C)(C)OC(=O)N1CCOCC[C@H]1c1cc[nH+]c(N)c1 ZINC000616659550 348551085 /nfs/dbraw/zinc/55/10/85/348551085.db2.gz OXBVPDZULGCCCW-LBPRGKRZSA-N 1 2 293.367 2.193 10 0 CEAELO CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616662887 348553499 /nfs/dbraw/zinc/55/34/99/348553499.db2.gz DARXGXNSTHHYRK-LBPRGKRZSA-N 1 2 293.367 2.193 10 0 CEAELO COc1cccc2[nH]cc(C[NH+]3CCC(=O)CC3)c21 ZINC000090554954 180003275 /nfs/dbraw/zinc/00/32/75/180003275.db2.gz AUQAGFSKWXFPSY-UHFFFAOYSA-N 1 2 258.321 2.341 10 0 CEAELO CCCCOCCNc1cc[nH+]c(C(=O)OC)c1 ZINC000090737461 180034312 /nfs/dbraw/zinc/03/43/12/180034312.db2.gz BTTMBSWKBFJSLB-UHFFFAOYSA-N 1 2 252.314 2.097 10 0 CEAELO O=c1ccc(Br)cn1Cc1c[nH+]cn1C1CC1 ZINC000090764728 180037186 /nfs/dbraw/zinc/03/71/86/180037186.db2.gz WPQLVMFBJYCIHE-UHFFFAOYSA-N 1 2 294.152 2.191 10 0 CEAELO Nc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000090908678 180061624 /nfs/dbraw/zinc/06/16/24/180061624.db2.gz JTNWVNHPRBWSLT-PHIMTYICSA-N 1 2 297.196 2.395 10 0 CEAELO Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000090908678 180061625 /nfs/dbraw/zinc/06/16/25/180061625.db2.gz JTNWVNHPRBWSLT-PHIMTYICSA-N 1 2 297.196 2.395 10 0 CEAELO OCc1cn(Cc2cn3ccccc3[nH+]2)c2ncccc12 ZINC000091018002 180087257 /nfs/dbraw/zinc/08/72/57/180087257.db2.gz AQNGOUSPYSXGGZ-UHFFFAOYSA-N 1 2 278.315 2.225 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)SC[C@@H](C)CO)C(=O)OCC ZINC000091258988 180115447 /nfs/dbraw/zinc/11/54/47/180115447.db2.gz PEWABRPTTGXSEW-OUCADQQQSA-N 1 2 291.457 2.058 10 0 CEAELO Cc1nn(C)c(C[C@@H](O)c2c[nH+]cn2C(C)C)c1Cl ZINC000091273754 180117849 /nfs/dbraw/zinc/11/78/49/180117849.db2.gz PDQDXGBGKVLBQE-GFCCVEGCSA-N 1 2 282.775 2.435 10 0 CEAELO Cc1ccccc1N[C@@H](C(N)=O)c1c[nH+]cn1C(C)C ZINC000091272566 180118214 /nfs/dbraw/zinc/11/82/14/180118214.db2.gz GNBNRCKBXAGJDH-CQSZACIVSA-N 1 2 272.352 2.411 10 0 CEAELO O=C1COc2ccc(NCc3c[nH+]cn3C3CC3)cc2N1 ZINC000091274310 180118485 /nfs/dbraw/zinc/11/84/85/180118485.db2.gz RUHPFAHCUPZANU-UHFFFAOYSA-N 1 2 284.319 2.161 10 0 CEAELO Cc1c(F)cc(C(N)=O)cc1NCc1c[nH+]cn1C1CC1 ZINC000091275138 180118759 /nfs/dbraw/zinc/11/87/59/180118759.db2.gz HMVVALQIAGKXJO-UHFFFAOYSA-N 1 2 288.326 2.377 10 0 CEAELO [NH3+][C@@H](c1cncn1C1CC1)c1nc2c(s1)CCC2 ZINC000091277123 180120073 /nfs/dbraw/zinc/12/00/73/180120073.db2.gz KNNHYOGVWJJMDL-LBPRGKRZSA-N 1 2 260.366 2.211 10 0 CEAELO Cn1c[nH+]cc1COc1ccc(Cl)cc1C=O ZINC000091278546 180120907 /nfs/dbraw/zinc/12/09/07/180120907.db2.gz RJEHQTRLXUVPJP-UHFFFAOYSA-N 1 2 250.685 2.465 10 0 CEAELO C[N@H+](CC1CC(O)C1)c1ccc(N)c(C(F)(F)F)c1 ZINC000091462360 180162026 /nfs/dbraw/zinc/16/20/26/180162026.db2.gz CKIAKAXAOMTVKS-UHFFFAOYSA-N 1 2 274.286 2.495 10 0 CEAELO C[N@@H+](CC1CC(O)C1)c1ccc(N)c(C(F)(F)F)c1 ZINC000091462360 180162028 /nfs/dbraw/zinc/16/20/28/180162028.db2.gz CKIAKAXAOMTVKS-UHFFFAOYSA-N 1 2 274.286 2.495 10 0 CEAELO Cc1nc(C2(c3ccccc3)CC2)[nH+]c(NN)c1F ZINC000091501717 180175374 /nfs/dbraw/zinc/17/53/74/180175374.db2.gz BNMFWSJGAGCUDR-UHFFFAOYSA-N 1 2 258.300 2.290 10 0 CEAELO CCNc1cc(C(C)C)nc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000091722791 180241601 /nfs/dbraw/zinc/24/16/01/180241601.db2.gz ZEGDGLALTZMDAL-LBPRGKRZSA-N 1 2 264.373 2.035 10 0 CEAELO CCNc1cc(C(C)C)nc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000091722791 180241603 /nfs/dbraw/zinc/24/16/03/180241603.db2.gz ZEGDGLALTZMDAL-LBPRGKRZSA-N 1 2 264.373 2.035 10 0 CEAELO CNc1cc(-c2ccccc2)nc([C@H]2C[N@H+](C)CCO2)n1 ZINC000091722729 180242408 /nfs/dbraw/zinc/24/24/08/180242408.db2.gz IABVNFVHFKDBGL-CQSZACIVSA-N 1 2 284.363 2.188 10 0 CEAELO CNc1cc(-c2ccccc2)nc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000091722729 180242412 /nfs/dbraw/zinc/24/24/12/180242412.db2.gz IABVNFVHFKDBGL-CQSZACIVSA-N 1 2 284.363 2.188 10 0 CEAELO Nc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)c[nH+]1 ZINC000092231955 180348587 /nfs/dbraw/zinc/34/85/87/180348587.db2.gz UOTQKOSKFQHTQR-LBPRGKRZSA-N 1 2 271.345 2.319 10 0 CEAELO Cc1cc(NC(=O)c2nc(C(C)C)ncc2N)cc[nH+]1 ZINC000092366272 180369405 /nfs/dbraw/zinc/36/94/05/180369405.db2.gz GLDBRQSPWBYQMH-UHFFFAOYSA-N 1 2 271.324 2.138 10 0 CEAELO COC(=O)[C@@H](CC(C)C)NC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402471 180377322 /nfs/dbraw/zinc/37/73/22/180377322.db2.gz KWSQZVQDGFEYJR-GHMZBOCLSA-N 1 2 272.414 2.291 10 0 CEAELO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109086905 186243084 /nfs/dbraw/zinc/24/30/84/186243084.db2.gz MEEUEWIMBMSNJE-RYUDHWBXSA-N 1 2 291.301 2.081 10 0 CEAELO C[N@@H+]1CC[C@@H](CNc2cc(C(=O)[O-])[nH+]c3ccccc23)C1 ZINC000109587694 186264199 /nfs/dbraw/zinc/26/41/99/186264199.db2.gz 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251.378 2.265 10 0 CEAELO CC(C)CC[N@@H+](Cc1nnnn1C(C)C)C1CC1 ZINC000195061389 395457734 /nfs/dbraw/zinc/45/77/34/395457734.db2.gz IEGXLPJWINVQOE-UHFFFAOYSA-N 1 2 251.378 2.265 10 0 CEAELO C[N@@H+]1CCC[C@@H](c2nnc(Br)s2)C1 ZINC000575453007 395664429 /nfs/dbraw/zinc/66/44/29/395664429.db2.gz DJQCCHFXFOFBFS-ZCFIWIBFSA-N 1 2 262.176 2.110 10 0 CEAELO C[N@H+]1CCC[C@@H](c2nnc(Br)s2)C1 ZINC000575453007 395664430 /nfs/dbraw/zinc/66/44/30/395664430.db2.gz DJQCCHFXFOFBFS-ZCFIWIBFSA-N 1 2 262.176 2.110 10 0 CEAELO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000230646103 153392848 /nfs/dbraw/zinc/39/28/48/153392848.db2.gz OKKVKQMCQYAJSB-GHMZBOCLSA-N 1 2 267.373 2.327 10 0 CEAELO CO[C@@H]1CCC[C@H](Nc2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000301962146 154181556 /nfs/dbraw/zinc/18/15/56/154181556.db2.gz MYFXROHOKPKHJJ-NWDGAFQWSA-N 1 2 293.415 2.431 10 0 CEAELO CO[C@@H]1CCC[C@H](Nc2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000301962146 154181561 /nfs/dbraw/zinc/18/15/61/154181561.db2.gz MYFXROHOKPKHJJ-NWDGAFQWSA-N 1 2 293.415 2.431 10 0 CEAELO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249332503 298111908 /nfs/dbraw/zinc/11/19/08/298111908.db2.gz XMRUVBXPWAYSQY-KJWHEZOQSA-N 1 2 282.428 2.274 10 0 CEAELO CCc1nnc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)n1C ZINC000170837951 162374386 /nfs/dbraw/zinc/37/43/86/162374386.db2.gz OTZNGEYLNHWMLN-AWEZNQCLSA-N 1 2 285.395 2.064 10 0 CEAELO CCc1nnc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)n1C ZINC000170837951 162374392 /nfs/dbraw/zinc/37/43/92/162374392.db2.gz OTZNGEYLNHWMLN-AWEZNQCLSA-N 1 2 285.395 2.064 10 0 CEAELO CC(C)c1nc([C@H]2CCC[N@@H+]2CCCCO)no1 ZINC000171065459 162378202 /nfs/dbraw/zinc/37/82/02/162378202.db2.gz IZIPQBHRJGIGBQ-LLVKDONJSA-N 1 2 253.346 2.102 10 0 CEAELO CC(C)c1nc([C@H]2CCC[N@H+]2CCCCO)no1 ZINC000171065459 162378207 /nfs/dbraw/zinc/37/82/07/162378207.db2.gz IZIPQBHRJGIGBQ-LLVKDONJSA-N 1 2 253.346 2.102 10 0 CEAELO C[C@@H](NC(=O)c1cn[nH]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173929887 165091734 /nfs/dbraw/zinc/09/17/34/165091734.db2.gz OQKOBUALAIAEHC-LLVKDONJSA-N 1 2 281.319 2.086 10 0 CEAELO CCSCC[C@@H](C)[N@H+](C)Cc1nnnn1C(C)C ZINC000174032863 165094293 /nfs/dbraw/zinc/09/42/93/165094293.db2.gz DURHDUIDFOTJPC-LLVKDONJSA-N 1 2 271.434 2.218 10 0 CEAELO CCSCC[C@@H](C)[N@@H+](C)Cc1nnnn1C(C)C ZINC000174032863 165094295 /nfs/dbraw/zinc/09/42/95/165094295.db2.gz DURHDUIDFOTJPC-LLVKDONJSA-N 1 2 271.434 2.218 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000005450803 170100075 /nfs/dbraw/zinc/10/00/75/170100075.db2.gz GGVUZLKPBGHYAO-UHFFFAOYSA-N 1 2 283.253 2.401 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000005450803 170100076 /nfs/dbraw/zinc/10/00/76/170100076.db2.gz GGVUZLKPBGHYAO-UHFFFAOYSA-N 1 2 283.253 2.401 10 0 CEAELO C[C@H](Nc1ccc([NH+](C)C)cc1)C(=O)N1CCCC1 ZINC000035164389 172025353 /nfs/dbraw/zinc/02/53/53/172025353.db2.gz VBTJHULUFFOBFV-LBPRGKRZSA-N 1 2 261.369 2.175 10 0 CEAELO CC(=O)[C@@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)C(C)C ZINC000035230337 172070710 /nfs/dbraw/zinc/07/07/10/172070710.db2.gz ICICSNWBQGCBPM-INIZCTEOSA-N 1 2 287.363 2.075 10 0 CEAELO CC[NH2+][C@H](C)c1cccc(NS(=O)(=O)C(F)F)c1 ZINC000035644718 172322067 /nfs/dbraw/zinc/32/20/67/172322067.db2.gz DBGUKMOWCOCEGO-MRVPVSSYSA-N 1 2 278.324 2.321 10 0 CEAELO NC(=O)c1ccc(CSc2ccc(N)[nH+]c2)c(F)c1 ZINC000037192660 173022475 /nfs/dbraw/zinc/02/24/75/173022475.db2.gz RLKCIFBQNNLCIN-UHFFFAOYSA-N 1 2 277.324 2.194 10 0 CEAELO CCCCOC(=O)C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000037394147 173174687 /nfs/dbraw/zinc/17/46/87/173174687.db2.gz UUJHGGYSTZGPAD-UHFFFAOYSA-N 1 2 295.379 2.179 10 0 CEAELO CCOC(=O)CN[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000037394286 173174729 /nfs/dbraw/zinc/17/47/29/173174729.db2.gz NUIQLOPHRXOEJJ-GFCCVEGCSA-N 1 2 273.336 2.086 10 0 CEAELO Fc1cccc2c1[nH]c(=S)n2CC[NH+]1CCOCC1 ZINC000037422280 173198695 /nfs/dbraw/zinc/19/86/95/173198695.db2.gz JKAQFVQJHIUCEG-UHFFFAOYSA-N 1 2 281.356 2.170 10 0 CEAELO COC(=O)[C@@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000037514751 173246045 /nfs/dbraw/zinc/24/60/45/173246045.db2.gz HSLZCXVJGGDJBD-QMMMGPOBSA-N 1 2 265.256 2.471 10 0 CEAELO Cc1noc(C[NH2+][C@@H]2CSCc3ccccc32)n1 ZINC000038034039 174031889 /nfs/dbraw/zinc/03/18/89/174031889.db2.gz DMRBIAILWCNBPM-GFCCVEGCSA-N 1 2 261.350 2.456 10 0 CEAELO COc1cc(C[NH2+]Cc2nc(C)no2)cc(Cl)c1OC ZINC000038034081 174032083 /nfs/dbraw/zinc/03/20/83/174032083.db2.gz ZQVNKXNKQWPSCM-UHFFFAOYSA-N 1 2 297.742 2.338 10 0 CEAELO CC[N@@H+]1CCC[C@@H](Nc2ccccc2S(=O)(=O)CC)C1 ZINC000040503132 174300011 /nfs/dbraw/zinc/30/00/11/174300011.db2.gz HCQCAJVIMHQORH-CYBMUJFWSA-N 1 2 296.436 2.376 10 0 CEAELO CC[N@H+]1CCC[C@@H](Nc2ccccc2S(=O)(=O)CC)C1 ZINC000040503132 174300012 /nfs/dbraw/zinc/30/00/12/174300012.db2.gz HCQCAJVIMHQORH-CYBMUJFWSA-N 1 2 296.436 2.376 10 0 CEAELO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1N ZINC000040637937 174362521 /nfs/dbraw/zinc/36/25/21/174362521.db2.gz OTCITULLBCIHLN-CQSZACIVSA-N 1 2 286.379 2.310 10 0 CEAELO CNc1[nH+]cnc(Nc2cc(F)ccc2F)c1N ZINC000040707122 174379751 /nfs/dbraw/zinc/37/97/51/174379751.db2.gz BFDYJLONASTAIM-UHFFFAOYSA-N 1 2 251.240 2.122 10 0 CEAELO Nc1nc[nH+]c(Nc2cccc(Br)c2)c1N ZINC000040724046 174386581 /nfs/dbraw/zinc/38/65/81/174386581.db2.gz COKAGJWCZAXEID-UHFFFAOYSA-N 1 2 280.129 2.147 10 0 CEAELO Nc1[nH+]cnc(Nc2cccc(Br)c2)c1N ZINC000040724046 174386580 /nfs/dbraw/zinc/38/65/80/174386580.db2.gz COKAGJWCZAXEID-UHFFFAOYSA-N 1 2 280.129 2.147 10 0 CEAELO CCc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(O)c1 ZINC000188262599 414837829 /nfs/dbraw/zinc/83/78/29/414837829.db2.gz CJWCSIYLZLOVBD-CQSZACIVSA-N 1 2 299.374 2.456 10 0 CEAELO O[C@H](C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000042244771 174664664 /nfs/dbraw/zinc/66/46/64/174664664.db2.gz UJXDJMHXSMLIQX-GFCCVEGCSA-N 1 2 275.270 2.071 10 0 CEAELO C[C@@H](CNc1cc(C(=O)[O-])cc[nH+]1)[NH+]1CCCCC1 ZINC000045010983 175289881 /nfs/dbraw/zinc/28/98/81/175289881.db2.gz YBSQNQNYNZZFQI-NSHDSACASA-N 1 2 263.341 2.066 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231698 175335620 /nfs/dbraw/zinc/33/56/20/175335620.db2.gz UAVRNATUWVWFOL-MBNYWOFBSA-N 1 2 256.390 2.092 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231698 175335622 /nfs/dbraw/zinc/33/56/22/175335622.db2.gz UAVRNATUWVWFOL-MBNYWOFBSA-N 1 2 256.390 2.092 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271873 175342477 /nfs/dbraw/zinc/34/24/77/175342477.db2.gz HHEJBZBGQGWOEY-HNNXBMFYSA-N 1 2 270.417 2.482 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271873 175342478 /nfs/dbraw/zinc/34/24/78/175342478.db2.gz HHEJBZBGQGWOEY-HNNXBMFYSA-N 1 2 270.417 2.482 10 0 CEAELO CCC[NH2+][C@@H](CN(C)c1ccccc1)C(=O)OCC ZINC000045376490 175367174 /nfs/dbraw/zinc/36/71/74/175367174.db2.gz IZLXGHXAZCMCSE-AWEZNQCLSA-N 1 2 264.369 2.054 10 0 CEAELO O=[S@]1CC[NH2+][C@H](c2ccc(Cl)cc2Cl)C1 ZINC000070674521 176000559 /nfs/dbraw/zinc/00/05/59/176000559.db2.gz SVIXEFBFUJODCM-ZUZCIYMTSA-N 1 2 264.177 2.386 10 0 CEAELO COC(=O)C[N@H+](C[C@@H]1OCCc2ccccc21)C(C)C ZINC000071030851 176021722 /nfs/dbraw/zinc/02/17/22/176021722.db2.gz DSOKLPDSRPPALO-HNNXBMFYSA-N 1 2 277.364 2.184 10 0 CEAELO COC(=O)C[N@@H+](C[C@@H]1OCCc2ccccc21)C(C)C ZINC000071030851 176021724 /nfs/dbraw/zinc/02/17/24/176021724.db2.gz DSOKLPDSRPPALO-HNNXBMFYSA-N 1 2 277.364 2.184 10 0 CEAELO c1ccc2c(c1)C[NH2+][C@@H](c1nc3cc[nH]cc-3n1)C2 ZINC000071166643 176049084 /nfs/dbraw/zinc/04/90/84/176049084.db2.gz XCARGMCGLNUJMM-CYBMUJFWSA-N 1 2 250.305 2.345 10 0 CEAELO C[C@@H]1CCC[C@@H]1Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000071210677 176082848 /nfs/dbraw/zinc/08/28/48/176082848.db2.gz ARRMWZJGWNBXFM-BDAKNGLRSA-N 1 2 278.747 2.311 10 0 CEAELO NC(=O)c1cccnc1Nc1ccc2c(c1)CCC[NH2+]2 ZINC000071215000 176086240 /nfs/dbraw/zinc/08/62/40/176086240.db2.gz VGYKOQHQZHGPFQ-UHFFFAOYSA-N 1 2 268.320 2.282 10 0 CEAELO CCNc1c(F)cc(C(=O)NCc2[nH+]ccn2C)cc1F ZINC000071275212 176106012 /nfs/dbraw/zinc/10/60/12/176106012.db2.gz XJPSXHDIFAWUGG-UHFFFAOYSA-N 1 2 294.305 2.060 10 0 CEAELO Nc1ccn(CCCn2cc[nH+]c2-c2ccccc2)n1 ZINC000071352683 176135553 /nfs/dbraw/zinc/13/55/53/176135553.db2.gz ZJADQVOVLDUPJW-UHFFFAOYSA-N 1 2 267.336 2.419 10 0 CEAELO Cc1ccn2cc(CC(=O)N3CCC[C@@H](C)C3)[nH+]c2c1 ZINC000071552380 176196722 /nfs/dbraw/zinc/19/67/22/176196722.db2.gz XGQDPNNFGBOITM-CYBMUJFWSA-N 1 2 271.364 2.444 10 0 CEAELO Cc1[nH]c2ccc(C(=O)NCCc3c[nH+]c[nH]3)cc2c1C ZINC000078723705 177375530 /nfs/dbraw/zinc/37/55/30/177375530.db2.gz VBFXMCODQYWPNF-UHFFFAOYSA-N 1 2 282.347 2.480 10 0 CEAELO Cc1[nH]c2ccc(C(=O)NCCc3c[nH]c[nH+]3)cc2c1C ZINC000078723705 177375532 /nfs/dbraw/zinc/37/55/32/177375532.db2.gz VBFXMCODQYWPNF-UHFFFAOYSA-N 1 2 282.347 2.480 10 0 CEAELO C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C[C@H]1n1cc[nH+]c1 ZINC000189340417 287551951 /nfs/dbraw/zinc/55/19/51/287551951.db2.gz NKBRKEWFNMGFEF-KBUPBQIOSA-N 1 2 291.395 2.108 10 0 CEAELO C[C@H](CNC(=O)[C@H]1CCCCC1(C)C)[NH+]1CCOCC1 ZINC000193792447 270289587 /nfs/dbraw/zinc/28/95/87/270289587.db2.gz JTSNZHMSCDXXHB-ZIAGYGMSSA-N 1 2 282.428 2.040 10 0 CEAELO Cc1nnc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3O)[nH]1 ZINC000392427287 270340771 /nfs/dbraw/zinc/34/07/71/270340771.db2.gz XPCQGOFYWXHFJE-PELKAZGASA-N 1 2 258.325 2.157 10 0 CEAELO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000192108537 275025965 /nfs/dbraw/zinc/02/59/65/275025965.db2.gz NCOZEECQJMGIMJ-NVXWUHKLSA-N 1 2 299.418 2.110 10 0 CEAELO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000192108537 275025966 /nfs/dbraw/zinc/02/59/66/275025966.db2.gz NCOZEECQJMGIMJ-NVXWUHKLSA-N 1 2 299.418 2.110 10 0 CEAELO CC(C)Oc1ccccc1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189092475 280142464 /nfs/dbraw/zinc/14/24/64/280142464.db2.gz YLXHXXZXUBAYRP-CYBMUJFWSA-N 1 2 276.380 2.184 10 0 CEAELO CC(C)Oc1ccccc1C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189092475 280142465 /nfs/dbraw/zinc/14/24/65/280142465.db2.gz YLXHXXZXUBAYRP-CYBMUJFWSA-N 1 2 276.380 2.184 10 0 CEAELO Cn1nnc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)n1 ZINC000193476828 294635091 /nfs/dbraw/zinc/63/50/91/294635091.db2.gz PCOSHECNIXJIEC-AWEZNQCLSA-N 1 2 271.368 2.013 10 0 CEAELO CCC[NH2+][C@H](CCN(CCC)CC(F)(F)F)C(=O)OC ZINC000062456017 520074600 /nfs/dbraw/zinc/07/46/00/520074600.db2.gz CBYLEVUXJBKCRX-LLVKDONJSA-N 1 2 298.349 2.192 10 0 CEAELO CC[NH2+][C@@](C)(CSc1cccc(OC)c1)C(=O)OC ZINC000045558268 520137636 /nfs/dbraw/zinc/13/76/36/520137636.db2.gz RUABTGRPMZQQAC-AWEZNQCLSA-N 1 2 283.393 2.329 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)n1nc(C)cc1C)C(=O)OCC ZINC000068648873 520147915 /nfs/dbraw/zinc/14/79/15/520147915.db2.gz YHTPHURGCJMHAV-ZFWWWQNUSA-N 1 2 281.400 2.382 10 0 CEAELO CC(C)c1[nH+]c(-c2c(F)cccc2F)c(N)n1N ZINC000052839919 519858236 /nfs/dbraw/zinc/85/82/36/519858236.db2.gz OBVXRMOWCYVDNK-UHFFFAOYSA-N 1 2 252.268 2.248 10 0 CEAELO CCC[NH2+][C@@](C)(Cn1ncc2ccccc21)C(=O)OCC ZINC000050528209 520046221 /nfs/dbraw/zinc/04/62/21/520046221.db2.gz BSYHNCZFCBNIEI-INIZCTEOSA-N 1 2 289.379 2.358 10 0 CEAELO CC[NH2+][C@@H](CCOc1cccc(N(C)C)c1)C(=O)OCC ZINC000062541649 520093162 /nfs/dbraw/zinc/09/31/62/520093162.db2.gz BACMLGUCIJRPNQ-HNNXBMFYSA-N 1 2 294.395 2.063 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc(OCC)cc1)C(=O)OC ZINC000062547616 520093175 /nfs/dbraw/zinc/09/31/75/520093175.db2.gz YMOUAJKXHHTAKZ-AWEZNQCLSA-N 1 2 281.352 2.005 10 0 CEAELO CCC[NH2+][C@](C[N@H+](CCC)C(C)C)(C(=O)[O-])C1CC1 ZINC000069097750 520119065 /nfs/dbraw/zinc/11/90/65/520119065.db2.gz KXXMXEFTNLNFRQ-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](CCC)C(C)C)(C(=O)[O-])C1CC1 ZINC000069097750 520119074 /nfs/dbraw/zinc/11/90/74/520119074.db2.gz KXXMXEFTNLNFRQ-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CC[NH2+][C@@](C)(CCOc1ccc(OC)cc1)C(=O)OC ZINC000045519239 520135480 /nfs/dbraw/zinc/13/54/80/520135480.db2.gz LCXFFUZGVHAJLE-HNNXBMFYSA-N 1 2 281.352 2.005 10 0 CEAELO CC[NH2+][C@@](C[N@H+](C)C1CCC(C)CC1)(C(=O)[O-])C1CC1 ZINC000069146425 520146541 /nfs/dbraw/zinc/14/65/41/520146541.db2.gz VBDHFFLIFGJXBX-LDZOIKDWSA-N 1 2 282.428 2.340 10 0 CEAELO CC[NH2+][C@@](C[N@@H+](C)C1CCC(C)CC1)(C(=O)[O-])C1CC1 ZINC000069146425 520146545 /nfs/dbraw/zinc/14/65/45/520146545.db2.gz VBDHFFLIFGJXBX-LDZOIKDWSA-N 1 2 282.428 2.340 10 0 CEAELO CC[NH2+][C@H](c1nccn1CC)c1cccnc1OC ZINC000061446661 520212161 /nfs/dbraw/zinc/21/21/61/520212161.db2.gz WKRODHLALBEJNC-LBPRGKRZSA-N 1 2 260.341 2.006 10 0 CEAELO CCNc1[nH+]cccc1Cn1ncc(=O)c2ccccc21 ZINC000052733475 520380353 /nfs/dbraw/zinc/38/03/53/520380353.db2.gz UXMNILRIVKRZMS-UHFFFAOYSA-N 1 2 280.331 2.272 10 0 CEAELO CCCOc1ccccc1OCC[C@H]([NH2+]CC)C(=O)OC ZINC000062544587 520483960 /nfs/dbraw/zinc/48/39/60/520483960.db2.gz JFMZZDJUSXGDOY-ZDUSSCGKSA-N 1 2 295.379 2.395 10 0 CEAELO CCOC(=O)[C@@](CN(CC)c1ccccc1)([NH2+]C)C1CC1 ZINC000069096296 521166198 /nfs/dbraw/zinc/16/61/98/521166198.db2.gz TXHMNDFXTKDNJA-KRWDZBQOSA-N 1 2 290.407 2.444 10 0 CEAELO CCN(C[C@@]([NH2+]C)(C(=O)OC)C1CC1)c1ccccc1C ZINC000069089971 521234871 /nfs/dbraw/zinc/23/48/71/521234871.db2.gz FWKDMBRIFBKNHM-KRWDZBQOSA-N 1 2 290.407 2.363 10 0 CEAELO CCOC(=O)[C@H](CCn1c(CC)nc2ccccc21)[NH2+]C ZINC000062807957 521249730 /nfs/dbraw/zinc/24/97/30/521249730.db2.gz LIEPFSATHZYXLT-ZDUSSCGKSA-N 1 2 289.379 2.140 10 0 CEAELO CCOC(=O)[C@](COC1CCCCC1)([NH2+]C)C1CC1 ZINC000069196752 521339343 /nfs/dbraw/zinc/33/93/43/521339343.db2.gz QQVFECZTDAWJKR-OAHLLOKOSA-N 1 2 269.385 2.267 10 0 CEAELO CCOc1ccccc1OC[C@]([NH2+]C)(C(=O)OC)C1CC1 ZINC000069197068 521566715 /nfs/dbraw/zinc/56/67/15/521566715.db2.gz JXKSKDWUAISLAP-MRXNPFEDSA-N 1 2 293.363 2.005 10 0 CEAELO CCOC(=O)c1[nH+]c(C)n(Cc2ccc(F)cc2F)c1N ZINC000051017778 521597924 /nfs/dbraw/zinc/59/79/24/521597924.db2.gz YBYLCXHONUDLGE-UHFFFAOYSA-N 1 2 295.289 2.277 10 0 CEAELO CCC[N@H+](CC1CC1)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069131899 521626365 /nfs/dbraw/zinc/62/63/65/521626365.db2.gz VIQWRXRCQQJVAH-MRXNPFEDSA-N 1 2 280.412 2.094 10 0 CEAELO CCC[N@@H+](CC1CC1)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069131899 521626368 /nfs/dbraw/zinc/62/63/68/521626368.db2.gz 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10 0 CEAELO C[C@H](C(=O)c1ccc(Br)cc1)[N@H+]1CC[C@H](O)C1 ZINC000061711044 526191392 /nfs/dbraw/zinc/19/13/92/526191392.db2.gz GFLAPYIFCOSAKG-SKDRFNHKSA-N 1 2 298.180 2.087 10 0 CEAELO Cc1ccc(C(=O)[C@@H](C)N2CCn3cc[nH+]c3C2)cc1 ZINC000062254189 526239408 /nfs/dbraw/zinc/23/94/08/526239408.db2.gz NRGTUFYOPFQIRB-CYBMUJFWSA-N 1 2 269.348 2.279 10 0 CEAELO c1c[nH+]c(N2CCCC2)c(NCc2cncnc2)c1 ZINC000054767331 526542354 /nfs/dbraw/zinc/54/23/54/526542354.db2.gz UFZFNXBOLGSHMD-UHFFFAOYSA-N 1 2 255.325 2.084 10 0 CEAELO Cc1noc(C[NH2+]Cc2ccc(O)c(Br)c2)n1 ZINC000062702741 526621034 /nfs/dbraw/zinc/62/10/34/526621034.db2.gz QVCYBCMNKYHIAP-UHFFFAOYSA-N 1 2 298.140 2.136 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)c1cccc2ncccc21 ZINC000062725818 527536712 /nfs/dbraw/zinc/53/67/12/527536712.db2.gz NJYORYUYIATLQP-UHFFFAOYSA-N 1 2 264.288 2.464 10 0 CEAELO Nc1nc(-c2ccc3c(c2)OCCCO3)[nH+]c2c1CCC2 ZINC000050866193 527539632 /nfs/dbraw/zinc/53/96/32/527539632.db2.gz XJZIEAJTOCLZBJ-UHFFFAOYSA-N 1 2 283.331 2.376 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@H](C)C(=O)NC(C)(C)C ZINC000176892248 528609664 /nfs/dbraw/zinc/60/96/64/528609664.db2.gz WGYOWBDQGSFIGH-GIPWTMENSA-N 1 2 299.440 2.016 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(Cc2conc2C)C1 ZINC000888102863 628870916 /nfs/dbraw/zinc/87/09/16/628870916.db2.gz RIXPWEKPYRBQOU-KGLIPLIRSA-N 1 2 290.367 2.285 10 0 CEAELO CN(Cc1n[nH]c2c1CCCC2)c1[nH+]cnc2[nH]ccc21 ZINC000067805570 633590157 /nfs/dbraw/zinc/59/01/57/633590157.db2.gz LLWKERJUOLIYTE-UHFFFAOYSA-N 1 2 282.351 2.196 10 0 CEAELO CN(C)c1[nH+]ccc(OC2CC2)c1Br ZINC000095721355 185019612 /nfs/dbraw/zinc/01/96/12/185019612.db2.gz WNVSDWAPNHXCLI-UHFFFAOYSA-N 1 2 257.131 2.451 10 0 CEAELO Cc1cc(Br)cn2c([C@H](C)O)c[nH+]c12 ZINC000082693491 178187371 /nfs/dbraw/zinc/18/73/71/178187371.db2.gz HVLRVBILEWMIJZ-ZETCQYMHSA-N 1 2 255.115 2.459 10 0 CEAELO O=C(N[C@H]1C[NH2+]Cc2cccc(Cl)c21)C(F)(F)F ZINC000082806630 178309089 /nfs/dbraw/zinc/30/90/89/178309089.db2.gz MLQOVDLGIAGJLX-QMMMGPOBSA-N 1 2 278.661 2.163 10 0 CEAELO CCN(CC)C(=O)CCc1c(C)[nH+]c2ccccn21 ZINC000096772832 185112544 /nfs/dbraw/zinc/11/25/44/185112544.db2.gz ACGFSSJWEFDSRK-UHFFFAOYSA-N 1 2 259.353 2.444 10 0 CEAELO CCCC(CCC)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000125784739 187200247 /nfs/dbraw/zinc/20/02/47/187200247.db2.gz PLFZDRYZGKSZLQ-GOEBONIOSA-N 1 2 296.455 2.382 10 0 CEAELO Cc1ccoc1C[N@H+]1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1 ZINC000668649687 539224193 /nfs/dbraw/zinc/22/41/93/539224193.db2.gz JITNSMQGQSKRQR-ZWNOBZJWSA-N 1 2 277.324 2.241 10 0 CEAELO Cc1ccoc1C[N@@H+]1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1 ZINC000668649687 539224194 /nfs/dbraw/zinc/22/41/94/539224194.db2.gz JITNSMQGQSKRQR-ZWNOBZJWSA-N 1 2 277.324 2.241 10 0 CEAELO CCOC(=O)[C@@]1(C)C[N@H+](Cc2ccccc2)CCC1=O ZINC000034342761 343419567 /nfs/dbraw/zinc/41/95/67/343419567.db2.gz FHWVQKMCUWPKKK-INIZCTEOSA-N 1 2 275.348 2.031 10 0 CEAELO CCOC(=O)[C@@]1(C)C[N@@H+](Cc2ccccc2)CCC1=O ZINC000034342761 343419568 /nfs/dbraw/zinc/41/95/68/343419568.db2.gz FHWVQKMCUWPKKK-INIZCTEOSA-N 1 2 275.348 2.031 10 0 CEAELO CC(C)(C)OC(=O)C[N@@H+]1CCc2cc(O)ccc2C1 ZINC000039123135 343435471 /nfs/dbraw/zinc/43/54/71/343435471.db2.gz XMQSTWXYBLGMSX-UHFFFAOYSA-N 1 2 263.337 2.092 10 0 CEAELO CC(C)(C)OC(=O)C[N@H+]1CCc2cc(O)ccc2C1 ZINC000039123135 343435472 /nfs/dbraw/zinc/43/54/72/343435472.db2.gz XMQSTWXYBLGMSX-UHFFFAOYSA-N 1 2 263.337 2.092 10 0 CEAELO O=c1ccc(-c2ccc3c(c2)-c2[nH+]ccn2CCO3)c[nH]1 ZINC000116315967 344286083 /nfs/dbraw/zinc/28/60/83/344286083.db2.gz QGEKPRKCCUMSRR-UHFFFAOYSA-N 1 2 279.299 2.298 10 0 CEAELO [NH3+][C@@H](c1cnsn1)c1sccc1Br ZINC000164690774 344472558 /nfs/dbraw/zinc/47/25/58/344472558.db2.gz PCWQDEPFDPTHFH-LURJTMIESA-N 1 2 276.184 2.410 10 0 CEAELO [NH3+][C@H](c1cnsn1)c1sccc1Br ZINC000164690662 344472820 /nfs/dbraw/zinc/47/28/20/344472820.db2.gz PCWQDEPFDPTHFH-ZCFIWIBFSA-N 1 2 276.184 2.410 10 0 CEAELO Cc1nc([C@H]([NH3+])c2sccc2Br)no1 ZINC000228012277 344558222 /nfs/dbraw/zinc/55/82/22/344558222.db2.gz KDXGAEKTEIJPKA-ZCFIWIBFSA-N 1 2 274.143 2.250 10 0 CEAELO CCOC(=O)[C@@H]([NH3+])c1cc(OC)ccc1Br ZINC000228763463 344563757 /nfs/dbraw/zinc/56/37/57/344563757.db2.gz GCLSPFXHNARJGO-JTQLQIEISA-N 1 2 288.141 2.021 10 0 CEAELO C[C@@H](Nc1nc[nH+]c(N)c1Br)C1CC1 ZINC000235218132 344589809 /nfs/dbraw/zinc/58/98/09/344589809.db2.gz VPBHWWXNGPPIPC-RXMQYKEDSA-N 1 2 257.135 2.032 10 0 CEAELO C[C@@H](Nc1[nH+]cnc(N)c1Br)C1CC1 ZINC000235218132 344589810 /nfs/dbraw/zinc/58/98/10/344589810.db2.gz VPBHWWXNGPPIPC-RXMQYKEDSA-N 1 2 257.135 2.032 10 0 CEAELO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(N)[nH+]2)C1 ZINC000309858828 344729887 /nfs/dbraw/zinc/72/98/87/344729887.db2.gz GMYHHVNWZIYHHX-JTQLQIEISA-N 1 2 263.341 2.388 10 0 CEAELO c1ccc(CCNc2cc(N[C@H]3CCCOC3)nc[nH+]2)nc1 ZINC000328650628 344757876 /nfs/dbraw/zinc/75/78/76/344757876.db2.gz VOZSSAURUWKSEE-AWEZNQCLSA-N 1 2 299.378 2.117 10 0 CEAELO c1ccc(CCNc2cc(N[C@H]3CCCOC3)[nH+]cn2)nc1 ZINC000328650628 344757880 /nfs/dbraw/zinc/75/78/80/344757880.db2.gz 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/nfs/dbraw/zinc/54/75/32/362547532.db2.gz YGMQXQXOUCHCIT-UHFFFAOYSA-N 1 2 288.395 2.026 10 0 CEAELO CC[N@H+](Cc1nnnn1-c1c(C)cccc1C)C1CC1 ZINC000060467664 362664003 /nfs/dbraw/zinc/66/40/03/362664003.db2.gz VKEKVFAAJDTFQN-UHFFFAOYSA-N 1 2 271.368 2.263 10 0 CEAELO CC[N@@H+](Cc1nnnn1-c1c(C)cccc1C)C1CC1 ZINC000060467664 362664011 /nfs/dbraw/zinc/66/40/11/362664011.db2.gz VKEKVFAAJDTFQN-UHFFFAOYSA-N 1 2 271.368 2.263 10 0 CEAELO CCCn1cc[nH+]c1[C@@H](NN)c1ccccc1CC ZINC000097736315 185658505 /nfs/dbraw/zinc/65/85/05/185658505.db2.gz WJMFSVXDXVQWGL-AWEZNQCLSA-N 1 2 258.369 2.408 10 0 CEAELO CCc1nc(NC)c(I)c(CC)[nH+]1 ZINC000085460746 179068684 /nfs/dbraw/zinc/06/86/84/179068684.db2.gz KNHIMISUALEGRR-UHFFFAOYSA-N 1 2 291.136 2.248 10 0 CEAELO CC[NH2+][C@@](C)(COc1cc(C)ccc1F)C(=O)OCC ZINC000085560289 179093756 /nfs/dbraw/zinc/09/37/56/179093756.db2.gz KZYGUJBGEHBUOH-HNNXBMFYSA-N 1 2 283.343 2.444 10 0 CEAELO CCO[C@H]1C[C@H]([NH2+]C(C)(C)C(=O)OC)C12CCCC2 ZINC000085679649 179113499 /nfs/dbraw/zinc/11/34/99/179113499.db2.gz RDQGJGHZYPUFGC-RYUDHWBXSA-N 1 2 269.385 2.265 10 0 CEAELO CC[C@@H]1C[N@H+](Cc2ncccc2C(=O)OC)CCS1 ZINC000336807714 365842824 /nfs/dbraw/zinc/84/28/24/365842824.db2.gz MQKVWJKAFZNXTM-LLVKDONJSA-N 1 2 280.393 2.196 10 0 CEAELO CC[C@@H]1C[N@@H+](Cc2ncccc2C(=O)OC)CCS1 ZINC000336807714 365842832 /nfs/dbraw/zinc/84/28/32/365842832.db2.gz MQKVWJKAFZNXTM-LLVKDONJSA-N 1 2 280.393 2.196 10 0 CEAELO COC[C@@H]([NH2+][C@@H](c1ccco1)c1nccn1C)C(C)C ZINC000086695030 179320439 /nfs/dbraw/zinc/32/04/39/179320439.db2.gz WCBQRYTZUJPJLH-OCCSQVGLSA-N 1 2 277.368 2.363 10 0 CEAELO COCCCc1nc2sc3c(c2c(NN)[nH+]1)CCCC3 ZINC000086971440 179370610 /nfs/dbraw/zinc/37/06/10/179370610.db2.gz ACDPWUWHJHKHHU-UHFFFAOYSA-N 1 2 292.408 2.435 10 0 CEAELO CCCc1cc(N2CCc3n[nH]cc3C2)nc(C)[nH+]1 ZINC000067713899 362920025 /nfs/dbraw/zinc/92/00/25/362920025.db2.gz NDMNVJHWLIMNEL-UHFFFAOYSA-N 1 2 257.341 2.023 10 0 CEAELO NC(=O)N1CC[C@@H](c2ccc[nH+]c2N)c2ccccc21 ZINC000616676148 348557368 /nfs/dbraw/zinc/55/73/68/348557368.db2.gz IWIKREAOOQUSTO-SNVBAGLBSA-N 1 2 268.320 2.085 10 0 CEAELO COC(=O)N1c2ccccc2NC[C@@H]1c1ccc[nH+]c1N ZINC000616683489 348559730 /nfs/dbraw/zinc/55/97/30/348559730.db2.gz ROYOYROIGCDORQ-CYBMUJFWSA-N 1 2 284.319 2.403 10 0 CEAELO C[C@H]1C[C@H](O)C[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000401892396 233185908 /nfs/dbraw/zinc/18/59/08/233185908.db2.gz HVUMSWIOXKWBDG-UWVGGRQHSA-N 1 2 279.365 2.001 10 0 CEAELO C[C@H]1C[C@H](O)C[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000401892396 233185911 /nfs/dbraw/zinc/18/59/11/233185911.db2.gz HVUMSWIOXKWBDG-UWVGGRQHSA-N 1 2 279.365 2.001 10 0 CEAELO CO[C@@H](C)c1nsc(NCCc2[nH+]cccc2C)n1 ZINC000404600587 233193759 /nfs/dbraw/zinc/19/37/59/233193759.db2.gz WKGWYSGNGIMMGI-JTQLQIEISA-N 1 2 278.381 2.025 10 0 CEAELO CCOC(=O)[C@@H](CCO[C@@H](C)C(F)(F)F)[NH2+]C(C)C ZINC000090674328 180021746 /nfs/dbraw/zinc/02/17/46/180021746.db2.gz WCOJBUGLZYQRFA-VHSXEESVSA-N 1 2 285.306 2.274 10 0 CEAELO COC(=O)c1cc(NCc2csc(C)n2)cc[nH+]1 ZINC000090737510 180033945 /nfs/dbraw/zinc/03/39/45/180033945.db2.gz KGFNRBYLAZVATK-UHFFFAOYSA-N 1 2 263.322 2.245 10 0 CEAELO CCC[N@@H+](CC(=O)OCC)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894716 180055640 /nfs/dbraw/zinc/05/56/40/180055640.db2.gz XEDFLUMIUIRAEK-CQSZACIVSA-N 1 2 295.354 2.404 10 0 CEAELO CCC[N@H+](CC(=O)OCC)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894716 180055641 /nfs/dbraw/zinc/05/56/41/180055641.db2.gz XEDFLUMIUIRAEK-CQSZACIVSA-N 1 2 295.354 2.404 10 0 CEAELO COCC[NH2+][C@H](c1cncn1C(C)C)c1nccs1 ZINC000091273277 180117998 /nfs/dbraw/zinc/11/79/98/180117998.db2.gz FLFBNZYGSZDDMJ-GFCCVEGCSA-N 1 2 280.397 2.246 10 0 CEAELO COc1ccccc1N[C@H](C(N)=O)c1c[nH+]cn1C(C)C ZINC000091272591 180118202 /nfs/dbraw/zinc/11/82/02/180118202.db2.gz NJZZTWOXFYDIRI-AWEZNQCLSA-N 1 2 288.351 2.111 10 0 CEAELO Cn1c[nH+]cc1COc1ccc(Cl)cc1CO ZINC000091278639 180120991 /nfs/dbraw/zinc/12/09/91/180120991.db2.gz NRCSUUPKWJCOQL-UHFFFAOYSA-N 1 2 252.701 2.145 10 0 CEAELO C[C@H](C(=O)NC1CCCC1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000091499860 180174770 /nfs/dbraw/zinc/17/47/70/180174770.db2.gz JIVSUQAKPFAAMG-LLVKDONJSA-N 1 2 273.380 2.032 10 0 CEAELO C[C@H](C(=O)NC1CCCC1)[N@H+]1Cc2ccc(N)cc2C1 ZINC000091499860 180174771 /nfs/dbraw/zinc/17/47/71/180174771.db2.gz JIVSUQAKPFAAMG-LLVKDONJSA-N 1 2 273.380 2.032 10 0 CEAELO CC[C@@](C)(C(=O)Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000091610841 180205779 /nfs/dbraw/zinc/20/57/79/180205779.db2.gz UNLDJGUTGGSMRM-INIZCTEOSA-N 1 2 279.355 2.438 10 0 CEAELO CC[C@@](C)([C@H](O)c1cc(F)ccc1F)[NH+]1CCOCC1 ZINC000091611265 180206753 /nfs/dbraw/zinc/20/67/53/180206753.db2.gz OXYNFLRRYUFFAU-CABCVRRESA-N 1 2 285.334 2.499 10 0 CEAELO C[C@H](C[NH+]1CCCC1)n1c(=O)c2sccc2[nH]c1=S ZINC000105036093 186038588 /nfs/dbraw/zinc/03/85/88/186038588.db2.gz OSTANMXBZHPMFA-SECBINFHSA-N 1 2 295.433 2.404 10 0 CEAELO CC(C)c1cccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000105280024 186050372 /nfs/dbraw/zinc/05/03/72/186050372.db2.gz CDMGMWVLGZEGEM-HNNXBMFYSA-N 1 2 291.395 2.262 10 0 CEAELO CC(C)c1cccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000105280024 186050374 /nfs/dbraw/zinc/05/03/74/186050374.db2.gz CDMGMWVLGZEGEM-HNNXBMFYSA-N 1 2 291.395 2.262 10 0 CEAELO C[NH+](C)Cc1noc(-c2cc(Cl)ccc2N)n1 ZINC000091685411 180226422 /nfs/dbraw/zinc/22/64/22/180226422.db2.gz LEBZLHMLFQTYOB-UHFFFAOYSA-N 1 2 252.705 2.034 10 0 CEAELO C[N@@H+]1CCO[C@@H](C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000091688268 180226507 /nfs/dbraw/zinc/22/65/07/180226507.db2.gz JABGLWLDFWYLEI-LLVKDONJSA-N 1 2 289.253 2.099 10 0 CEAELO C[N@H+]1CCO[C@@H](C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000091688268 180226509 /nfs/dbraw/zinc/22/65/09/180226509.db2.gz JABGLWLDFWYLEI-LLVKDONJSA-N 1 2 289.253 2.099 10 0 CEAELO CC(C)c1ccc(CC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000091688480 180227017 /nfs/dbraw/zinc/22/70/17/180227017.db2.gz ZQKFTDUHMPKIBF-MRXNPFEDSA-N 1 2 261.365 2.252 10 0 CEAELO CC(C)c1ccc(CC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000091688480 180227018 /nfs/dbraw/zinc/22/70/18/180227018.db2.gz ZQKFTDUHMPKIBF-MRXNPFEDSA-N 1 2 261.365 2.252 10 0 CEAELO CCNc1nc([C@@H]2C[N@H+](C)CCO2)nc2c1CCCCC2 ZINC000091722864 180242158 /nfs/dbraw/zinc/24/21/58/180242158.db2.gz XRRKCISKWANMCA-AWEZNQCLSA-N 1 2 290.411 2.180 10 0 CEAELO CCNc1nc([C@@H]2C[N@@H+](C)CCO2)nc2c1CCCCC2 ZINC000091722864 180242161 /nfs/dbraw/zinc/24/21/61/180242161.db2.gz XRRKCISKWANMCA-AWEZNQCLSA-N 1 2 290.411 2.180 10 0 CEAELO CC[N@@H+]1CCO[C@@H](COc2cc(F)ccc2C(C)=O)C1 ZINC000092056637 180314189 /nfs/dbraw/zinc/31/41/89/180314189.db2.gz HQMSUIZCYDAVRM-CYBMUJFWSA-N 1 2 281.327 2.128 10 0 CEAELO CC[N@H+]1CCO[C@@H](COc2cc(F)ccc2C(C)=O)C1 ZINC000092056637 180314190 /nfs/dbraw/zinc/31/41/90/180314190.db2.gz HQMSUIZCYDAVRM-CYBMUJFWSA-N 1 2 281.327 2.128 10 0 CEAELO C[C@@H](O)c1cc(Cl)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092059025 180315492 /nfs/dbraw/zinc/31/54/92/180315492.db2.gz AHIMNNAASNBTAN-ZYHUDNBSSA-N 1 2 285.771 2.103 10 0 CEAELO C[C@@H](O)c1cc(Cl)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092059025 180315494 /nfs/dbraw/zinc/31/54/94/180315494.db2.gz 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ZINC000243384264 131082643 /nfs/dbraw/zinc/08/26/43/131082643.db2.gz MILRWMWKKDALCV-QWHCGFSZSA-N 1 2 276.384 2.304 10 0 CEAELO CCc1ccc(Nc2[nH+]cnc(N3CCOCC3)c2N)cc1 ZINC000040688416 134867714 /nfs/dbraw/zinc/86/77/14/134867714.db2.gz GPKBMPYJCOZBBQ-UHFFFAOYSA-N 1 2 299.378 2.201 10 0 CEAELO CC[NH2+][C@@H](CN1CCCc2cc(C)ccc21)C(=O)OCC ZINC000045370974 134916658 /nfs/dbraw/zinc/91/66/58/134916658.db2.gz AVGSPIGFJCXDIY-HNNXBMFYSA-N 1 2 290.407 2.289 10 0 CEAELO CCC(=O)[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000085682111 135037664 /nfs/dbraw/zinc/03/76/64/135037664.db2.gz GGCVUJZKUGMFBB-AWEZNQCLSA-N 1 2 260.381 2.485 10 0 CEAELO Nc1ccc2c(c1)[nH+]cnc2N1CCO[C@@H]2CCCC[C@@H]21 ZINC000087820825 135051519 /nfs/dbraw/zinc/05/15/19/135051519.db2.gz ORXJHSGGPXZAOS-LSDHHAIUSA-N 1 2 284.363 2.360 10 0 CEAELO Cc1cnc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)o1 ZINC000152307038 394992703 /nfs/dbraw/zinc/99/27/03/394992703.db2.gz KDSPSQLCPYCJOZ-ZDUSSCGKSA-N 1 2 259.309 2.031 10 0 CEAELO Cc1cnc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)o1 ZINC000152307038 394992704 /nfs/dbraw/zinc/99/27/04/394992704.db2.gz KDSPSQLCPYCJOZ-ZDUSSCGKSA-N 1 2 259.309 2.031 10 0 CEAELO C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)Nc1ccccc1Cl ZINC000399275088 395243651 /nfs/dbraw/zinc/24/36/51/395243651.db2.gz XQISYOYGGNMVSA-QWRGUYRKSA-N 1 2 282.771 2.124 10 0 CEAELO C[C@H]1CC[C@H](O)C[N@H+]1CC(=O)Nc1ccccc1Cl ZINC000399275088 395243652 /nfs/dbraw/zinc/24/36/52/395243652.db2.gz XQISYOYGGNMVSA-QWRGUYRKSA-N 1 2 282.771 2.124 10 0 CEAELO CCc1nnc(C[N@H+](C)[C@H]2CCc3ccccc32)n1C ZINC000195052765 395457780 /nfs/dbraw/zinc/45/77/80/395457780.db2.gz LSWOPUFAVHIZNI-AWEZNQCLSA-N 1 2 270.380 2.497 10 0 CEAELO CCc1nnc(C[N@@H+](C)[C@H]2CCc3ccccc32)n1C ZINC000195052765 395457784 /nfs/dbraw/zinc/45/77/84/395457784.db2.gz LSWOPUFAVHIZNI-AWEZNQCLSA-N 1 2 270.380 2.497 10 0 CEAELO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1conc1C ZINC000397881910 400559780 /nfs/dbraw/zinc/55/97/80/400559780.db2.gz BDTBQGSMDHYCBM-HUUCEWRRSA-N 1 2 263.385 2.432 10 0 CEAELO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1conc1C ZINC000397881910 400559790 /nfs/dbraw/zinc/55/97/90/400559790.db2.gz BDTBQGSMDHYCBM-HUUCEWRRSA-N 1 2 263.385 2.432 10 0 CEAELO C[C@@H]1CCC[C@H](CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263300632 289261189 /nfs/dbraw/zinc/26/11/89/289261189.db2.gz WZAYJEYLBADZHP-IJLUTSLNSA-N 1 2 274.355 2.316 10 0 CEAELO O=C(Cc1cn2ccccc2[nH+]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000193588340 153236360 /nfs/dbraw/zinc/23/63/60/153236360.db2.gz CDSIAPDUNKPSMT-LSDHHAIUSA-N 1 2 299.374 2.047 10 0 CEAELO CCOc1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1F ZINC000263031682 154008951 /nfs/dbraw/zinc/00/89/51/154008951.db2.gz RYSZSVDJGVAZHR-JTQLQIEISA-N 1 2 288.269 2.160 10 0 CEAELO C[C@@H](Nc1nc2c(cnn2C)c(N)[nH+]1)c1cccs1 ZINC000302860968 154199117 /nfs/dbraw/zinc/19/91/17/154199117.db2.gz UWUXGGZQRIWZJT-SSDOTTSWSA-N 1 2 274.353 2.180 10 0 CEAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCC2CCC2)C1 ZINC000177953829 165217363 /nfs/dbraw/zinc/21/73/63/165217363.db2.gz DMPDYDNQHIMXDT-CQSZACIVSA-N 1 2 290.411 2.184 10 0 CEAELO Ic1ccc2c(c1)C=[NH+]CC2 ZINC000006567516 170214247 /nfs/dbraw/zinc/21/42/47/170214247.db2.gz RPXLZKALUZPINB-UHFFFAOYSA-N 1 2 257.074 2.266 10 0 CEAELO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)[NH+]1CCSCC1 ZINC000020256947 171111867 /nfs/dbraw/zinc/11/18/67/171111867.db2.gz BHWDQVFYNCMLIL-VIFPVBQESA-N 1 2 299.827 2.298 10 0 CEAELO CC[NH+](CC)[C@@H](C[NH2+]CCC(=O)[O-])c1ccccc1 ZINC000020303459 171140192 /nfs/dbraw/zinc/14/01/92/171140192.db2.gz CLFWZZQJAPSGCU-AWEZNQCLSA-N 1 2 264.369 2.134 10 0 CEAELO C[C@H]1CCCCN1C(=O)CSc1ccc(N)[nH+]c1 ZINC000037192413 173020690 /nfs/dbraw/zinc/02/06/90/173020690.db2.gz JYDOIEHGAXMYDB-JTQLQIEISA-N 1 2 265.382 2.157 10 0 CEAELO NC(=O)c1ccc(CSc2ccc(N)[nH+]c2)cc1 ZINC000037192217 173020846 /nfs/dbraw/zinc/02/08/46/173020846.db2.gz JKJUPPZBZINDTK-UHFFFAOYSA-N 1 2 259.334 2.055 10 0 CEAELO CC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(N)[nH+]c1 ZINC000037192553 173022037 /nfs/dbraw/zinc/02/20/37/173022037.db2.gz SJKDZSROWJQEOD-BDAKNGLRSA-N 1 2 253.371 2.059 10 0 CEAELO CCC[NH2+][C@@](C)(C(=O)OCC)c1ccc(OC)cc1 ZINC000037513554 173244678 /nfs/dbraw/zinc/24/46/78/173244678.db2.gz YLWHWRQZWFXPDI-OAHLLOKOSA-N 1 2 265.353 2.473 10 0 CEAELO Cc1csc(C[NH2+]CC(=O)Nc2ccccc2)n1 ZINC000038091639 174105813 /nfs/dbraw/zinc/10/58/13/174105813.db2.gz HHROBOIAXBLCMW-UHFFFAOYSA-N 1 2 261.350 2.180 10 0 CEAELO Cc1nc(C)c([C@H](C)[NH2+]Cc2csnn2)s1 ZINC000040518173 174308068 /nfs/dbraw/zinc/30/80/68/174308068.db2.gz FWNSVRCPHUMZIR-LURJTMIESA-N 1 2 254.384 2.462 10 0 CEAELO Nc1c(Nc2ccc3c(c2)OCO3)[nH+]cnc1N1CCCC1 ZINC000040684651 174375117 /nfs/dbraw/zinc/37/51/17/174375117.db2.gz JUQZRHAQCDDWBH-UHFFFAOYSA-N 1 2 299.334 2.131 10 0 CEAELO Nc1c(Nc2ccc3c(c2)OCO3)nc[nH+]c1N1CCCC1 ZINC000040684651 174375118 /nfs/dbraw/zinc/37/51/18/174375118.db2.gz JUQZRHAQCDDWBH-UHFFFAOYSA-N 1 2 299.334 2.131 10 0 CEAELO CCCCNc1[nH+]cnc(Nc2cc(C)on2)c1N ZINC000040680839 174375507 /nfs/dbraw/zinc/37/55/07/174375507.db2.gz ANEJTSVOLHGRDG-UHFFFAOYSA-N 1 2 262.317 2.311 10 0 CEAELO Nc1cccc2c1cc[nH+]c2N1CC[C@H](CCO)C1 ZINC000663661480 415007077 /nfs/dbraw/zinc/00/70/77/415007077.db2.gz QEKSTUPIAQBMGT-LLVKDONJSA-N 1 2 257.337 2.026 10 0 CEAELO CCc1n[nH]c(=S)n1CCCCn1cc[nH+]c1 ZINC000045108443 175308838 /nfs/dbraw/zinc/30/88/38/175308838.db2.gz HYKSCGXZBFJBAJ-UHFFFAOYSA-N 1 2 251.359 2.180 10 0 CEAELO CCC[NH2+][C@](C)(CN1c2ccccc2C[C@@H]1C)C(=O)OC ZINC000045222624 175330883 /nfs/dbraw/zinc/33/08/83/175330883.db2.gz JXQSAUVBHPHZDP-SUMWQHHRSA-N 1 2 290.407 2.369 10 0 CEAELO CCC[NH2+][C@](C)(CCN1CCc2ccccc21)C(=O)OC ZINC000045224346 175332281 /nfs/dbraw/zinc/33/22/81/175332281.db2.gz MRQIFTXYRLPFCE-QGZVFWFLSA-N 1 2 290.407 2.371 10 0 CEAELO CCOC(=O)[C@@](C)(CN1CCc2ccccc21)[NH2+]C(C)C ZINC000045224267 175332381 /nfs/dbraw/zinc/33/23/81/175332381.db2.gz YGZHICAKWMWVOG-QGZVFWFLSA-N 1 2 290.407 2.369 10 0 CEAELO CC[NH2+][C@@](C)(CN(C)c1ccccc1)C(=O)OCC ZINC000045227583 175333553 /nfs/dbraw/zinc/33/35/53/175333553.db2.gz VDJIEDUCIPGEHW-HNNXBMFYSA-N 1 2 264.369 2.054 10 0 CEAELO CCN(CC[C@](C)([NH2+]C)C(=O)OC)c1ccccc1 ZINC000045232141 175335920 /nfs/dbraw/zinc/33/59/20/175335920.db2.gz YCYWQCGTEVHHKW-HNNXBMFYSA-N 1 2 264.369 2.054 10 0 CEAELO CCCC[NH+](CCCC)C[C@](C)([NH2+]CC)C(=O)[O-] ZINC000045232666 175336199 /nfs/dbraw/zinc/33/61/99/175336199.db2.gz TXBMPPGHMQXGFF-AWEZNQCLSA-N 1 2 258.406 2.341 10 0 CEAELO CC[NH2+][C@](C)(C[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273745 175344078 /nfs/dbraw/zinc/34/40/78/175344078.db2.gz UHECAKAPDCYJIH-CQSZACIVSA-N 1 2 258.406 2.053 10 0 CEAELO CCCN(CC(F)(F)F)C[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045274378 175344797 /nfs/dbraw/zinc/34/47/97/175344797.db2.gz YQCDDYKAKJPECH-GFCCVEGCSA-N 1 2 298.349 2.190 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281520 175352605 /nfs/dbraw/zinc/35/26/05/175352605.db2.gz RCNKYIVAVWXECK-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281520 175352607 /nfs/dbraw/zinc/35/26/07/175352607.db2.gz RCNKYIVAVWXECK-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO c1cc2c(s1)CC[NH2+][C@@H]2c1nc2cc[nH]cc-2n1 ZINC000071166723 176048824 /nfs/dbraw/zinc/04/88/24/176048824.db2.gz DKJOVNQDPDFZTM-LBPRGKRZSA-N 1 2 256.334 2.255 10 0 CEAELO c1ccc2c(c1)CC[NH2+][C@H]2c1nc2cc[nH]cc-2n1 ZINC000071166719 176048918 /nfs/dbraw/zinc/04/89/18/176048918.db2.gz XGZRGTVEDTZKPU-CQSZACIVSA-N 1 2 250.305 2.193 10 0 CEAELO CC[NH+](CC)CCn1cc(C(=O)O)c(=O)c2ccccc21 ZINC000071196886 176076799 /nfs/dbraw/zinc/07/67/99/176076799.db2.gz JLDDVHFAKNABIS-UHFFFAOYSA-N 1 2 288.347 2.042 10 0 CEAELO CCOC(=O)c1ncsc1N[C@H](C)Cn1cc[nH+]c1 ZINC000071201620 176078349 /nfs/dbraw/zinc/07/83/49/176078349.db2.gz AGKFEDBKELLOKR-SECBINFHSA-N 1 2 280.353 2.017 10 0 CEAELO CCCCC(=O)NCCc1cn2cc(F)ccc2[nH+]1 ZINC000071489952 176190023 /nfs/dbraw/zinc/19/00/23/176190023.db2.gz YSIUKXPRYYVDNL-UHFFFAOYSA-N 1 2 263.316 2.322 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cc2ccccc2o1 ZINC000078730052 177378106 /nfs/dbraw/zinc/37/81/06/177378106.db2.gz XMYCIISLNXMDRL-UHFFFAOYSA-N 1 2 255.277 2.128 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cc2ccccc2o1 ZINC000078730052 177378107 /nfs/dbraw/zinc/37/81/07/177378107.db2.gz XMYCIISLNXMDRL-UHFFFAOYSA-N 1 2 255.277 2.128 10 0 CEAELO C[C@@H]([NH2+]Cc1cnn[nH]1)c1cccc(Br)c1 ZINC000398371582 270357696 /nfs/dbraw/zinc/35/76/96/270357696.db2.gz OSHQPHQAZJMVKO-MRVPVSSYSA-N 1 2 281.157 2.418 10 0 CEAELO C[C@@H]([NH2+]Cc1c[nH]nn1)c1cccc(Br)c1 ZINC000398371582 270357698 /nfs/dbraw/zinc/35/76/98/270357698.db2.gz OSHQPHQAZJMVKO-MRVPVSSYSA-N 1 2 281.157 2.418 10 0 CEAELO C[C@@H]([NH2+]Cc1cn[nH]n1)c1cccc(Br)c1 ZINC000398371582 270357701 /nfs/dbraw/zinc/35/77/01/270357701.db2.gz OSHQPHQAZJMVKO-MRVPVSSYSA-N 1 2 281.157 2.418 10 0 CEAELO CNc1nc(N2CCCCC2)[nH+]cc1Br ZINC000085461879 277045942 /nfs/dbraw/zinc/04/59/42/277045942.db2.gz NTXPPSGRGQUMFH-UHFFFAOYSA-N 1 2 271.162 2.271 10 0 CEAELO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263307527 278086127 /nfs/dbraw/zinc/08/61/27/278086127.db2.gz YDHKFSJZRYTJHS-KWCYVHTRSA-N 1 2 294.345 2.388 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)OCC1CC1)C2 ZINC000189616760 280153459 /nfs/dbraw/zinc/15/34/59/280153459.db2.gz RJNMUKNYDRLNIF-UHFFFAOYSA-N 1 2 277.368 2.448 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCO[C@H]1CCCCO1 ZINC000248842231 280367763 /nfs/dbraw/zinc/36/77/63/280367763.db2.gz RERFAQVBPZCSHF-OLZOCXBDSA-N 1 2 287.400 2.192 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000248842231 280367764 /nfs/dbraw/zinc/36/77/64/280367764.db2.gz RERFAQVBPZCSHF-OLZOCXBDSA-N 1 2 287.400 2.192 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000120869244 288378702 /nfs/dbraw/zinc/37/87/02/288378702.db2.gz PFKPSWLKMPMZFR-QXSJWSMHSA-N 1 2 294.439 2.277 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000120869244 288378703 /nfs/dbraw/zinc/37/87/03/288378703.db2.gz PFKPSWLKMPMZFR-QXSJWSMHSA-N 1 2 294.439 2.277 10 0 CEAELO CC(C)[NH+]1CCN(c2nc(C3CC3)c(C=O)s2)CC1 ZINC000069180699 519683686 /nfs/dbraw/zinc/68/36/86/519683686.db2.gz OLXZXLUYXCQWIV-UHFFFAOYSA-N 1 2 279.409 2.363 10 0 CEAELO CCC[NH2+][C@@](C)(C[C@@H](C)N(C)CC(F)(F)F)C(=O)OC ZINC000068627502 520038627 /nfs/dbraw/zinc/03/86/27/520038627.db2.gz QDDPBLVQEHRBOL-PWSUYJOCSA-N 1 2 298.349 2.190 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](C)C[C@@H](C)CC)(C(=O)[O-])C1CC1 ZINC000069098572 520049364 /nfs/dbraw/zinc/04/93/64/520049364.db2.gz ATWIPWKZXVXYGP-SWLSCSKDSA-N 1 2 270.417 2.197 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](C)C[C@@H](C)CC)(C(=O)[O-])C1CC1 ZINC000069098572 520049370 /nfs/dbraw/zinc/04/93/70/520049370.db2.gz ATWIPWKZXVXYGP-SWLSCSKDSA-N 1 2 270.417 2.197 10 0 CEAELO CC[NH2+][C@@H](CCN(CC)c1ccccc1)C(=O)OCC ZINC000062443694 520086643 /nfs/dbraw/zinc/08/66/43/520086643.db2.gz JIZOWDOTJAKWIB-HNNXBMFYSA-N 1 2 278.396 2.444 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1cccc(F)c1)C(=O)OCC ZINC000062530003 520086001 /nfs/dbraw/zinc/08/60/01/520086001.db2.gz YNXXGVVXFIVBNZ-AWEZNQCLSA-N 1 2 282.359 2.193 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccccc1CC)C(=O)OC ZINC000062594574 520095507 /nfs/dbraw/zinc/09/55/07/520095507.db2.gz UXYCDSOOPZCAQP-ZDUSSCGKSA-N 1 2 265.353 2.169 10 0 CEAELO CCCNc1snnc1C[NH+]1CCC(OCC)CC1 ZINC000050814610 520203038 /nfs/dbraw/zinc/20/30/38/520203038.db2.gz SYRWMOBNYKUPFT-UHFFFAOYSA-N 1 2 284.429 2.361 10 0 CEAELO CCCc1nc([C@@H]([NH3+])c2cc(F)c(F)c(F)c2)no1 ZINC000062720012 521534399 /nfs/dbraw/zinc/53/43/99/521534399.db2.gz VTAFEONLMNTZHQ-NSHDSACASA-N 1 2 271.242 2.488 10 0 CEAELO CC(C)C[C@H](C[NH+](C)C)Nc1ccc([NH3+])cc1C(=O)[O-] ZINC000049561987 519345685 /nfs/dbraw/zinc/34/56/85/519345685.db2.gz FYDNSLBRKRFTNF-GFCCVEGCSA-N 1 2 279.384 2.355 10 0 CEAELO CCCNC(=O)CNC1=[NH+][C@]2(CS1)CCC[C@@H](C)C2 ZINC000053100070 519879878 /nfs/dbraw/zinc/87/98/78/519879878.db2.gz GEPIZOYZLXBIDQ-BXUZGUMPSA-N 1 2 283.441 2.154 10 0 CEAELO CCCNC(=O)[C@@H](C)Nc1ccc2[nH+]cccc2c1N ZINC000049194472 519888746 /nfs/dbraw/zinc/88/87/46/519888746.db2.gz FWVDWMNBZHKSAR-SNVBAGLBSA-N 1 2 272.352 2.144 10 0 CEAELO CCC[NH2+][C@@H](CCn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062807943 520006501 /nfs/dbraw/zinc/00/65/01/520006501.db2.gz SHLZDBMRLTZPPF-ZDUSSCGKSA-N 1 2 289.379 2.442 10 0 CEAELO CCC[NH2+][C@@H](CN(C)c1cccc(OC)c1)C(=O)OCC ZINC000049971741 520009890 /nfs/dbraw/zinc/00/98/90/520009890.db2.gz GBPKUYGLPORRMJ-HNNXBMFYSA-N 1 2 294.395 2.063 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](CC(C)C)C1CC1)(C(=O)[O-])C1CC1 ZINC000069132032 520049156 /nfs/dbraw/zinc/04/91/56/520049156.db2.gz OBRSPBZZLFNMJM-MRXNPFEDSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](CC(C)C)C1CC1)(C(=O)[O-])C1CC1 ZINC000069132032 520049164 /nfs/dbraw/zinc/04/91/64/520049164.db2.gz OBRSPBZZLFNMJM-MRXNPFEDSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[NH2+][C@](C[NH+](CCC)CCC)(C(=O)[O-])C1CC1 ZINC000069095587 520120345 /nfs/dbraw/zinc/12/03/45/520120345.db2.gz VCCUKHAQBZXSTE-HNNXBMFYSA-N 1 2 270.417 2.341 10 0 CEAELO CCCNc1cc(CSCC(=O)OC)cc[nH+]1 ZINC000052756409 520138361 /nfs/dbraw/zinc/13/83/61/520138361.db2.gz HXWCNUVPWLCHTP-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO CC[NH2+][C@H](CCOc1ccc(C)cc1OC)C(=O)OCC ZINC000062551157 520191865 /nfs/dbraw/zinc/19/18/65/520191865.db2.gz CLUXFQPWTRVLBZ-CYBMUJFWSA-N 1 2 295.379 2.314 10 0 CEAELO CC[NH2+][C@](CSCCCOC)(C(=O)OCC)C1CC1 ZINC000069191498 520253590 /nfs/dbraw/zinc/25/35/90/520253590.db2.gz RIJVKPURXQUNAX-AWEZNQCLSA-N 1 2 289.441 2.078 10 0 CEAELO CCNc1cc(Cn2ncc(=O)c3ccccc32)cc[nH+]1 ZINC000052733483 520272217 /nfs/dbraw/zinc/27/22/17/520272217.db2.gz BMHRHYYOSZEGKE-UHFFFAOYSA-N 1 2 280.331 2.272 10 0 CEAELO CCNc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC000061638519 520309290 /nfs/dbraw/zinc/30/92/90/520309290.db2.gz FDIGFABLOLTGOD-GFCCVEGCSA-N 1 2 296.802 2.007 10 0 CEAELO CCNc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC000061638519 520309298 /nfs/dbraw/zinc/30/92/98/520309298.db2.gz FDIGFABLOLTGOD-GFCCVEGCSA-N 1 2 296.802 2.007 10 0 CEAELO CCNc1[nH+]c2cc(OC)ccc2cc1Cn1cncn1 ZINC000050818525 520359537 /nfs/dbraw/zinc/35/95/37/520359537.db2.gz FBDBSSNJLILYEI-UHFFFAOYSA-N 1 2 283.335 2.315 10 0 CEAELO CCO[C@H]1CCC[N@H+](Cc2nc3sccc3c(N)n2)C1 ZINC000050818026 520526400 /nfs/dbraw/zinc/52/64/00/520526400.db2.gz JVOGBDVDTAUCGA-JTQLQIEISA-N 1 2 292.408 2.274 10 0 CEAELO CCO[C@H]1CCC[N@@H+](Cc2nc3sccc3c(N)n2)C1 ZINC000050818026 520526408 /nfs/dbraw/zinc/52/64/08/520526408.db2.gz JVOGBDVDTAUCGA-JTQLQIEISA-N 1 2 292.408 2.274 10 0 CEAELO CCCSC[C@@]([NH2+]C1CC1)(C(=O)OC)C1CC1 ZINC000069185314 520564563 /nfs/dbraw/zinc/56/45/63/520564563.db2.gz NPQYUFSKLYWJMB-ZDUSSCGKSA-N 1 2 257.399 2.203 10 0 CEAELO CCOC(=O)C=C(O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000068814576 520589276 /nfs/dbraw/zinc/58/92/76/520589276.db2.gz JWFQPEUTZKBSTD-UHFFFAOYSA-N 1 2 269.385 2.267 10 0 CEAELO CCC[C@@H]([NH2+]CC1=CCCOC1)C(=O)OC(C)(C)C ZINC000156565527 520772751 /nfs/dbraw/zinc/77/27/51/520772751.db2.gz GXXYPVIDJBGJJT-CYBMUJFWSA-N 1 2 269.385 2.433 10 0 CEAELO CCOc1ccc(-c2[nH+]c(C(C)C)n(N)c2N)cc1 ZINC000052839967 520815479 /nfs/dbraw/zinc/81/54/79/520815479.db2.gz PXCGIIGKTMIFDZ-UHFFFAOYSA-N 1 2 260.341 2.368 10 0 CEAELO CC1=NN(c2cc(C)ccc2C)C(=O)[C@H]1CCC[NH3+] ZINC000069505911 520890111 /nfs/dbraw/zinc/89/01/11/520890111.db2.gz PKVORCIUVGROQP-ZDUSSCGKSA-N 1 2 259.353 2.381 10 0 CEAELO CCOC(=O)[C@@H](CCn1c(CC)nc2ccccc21)[NH2+]C ZINC000062807958 521061733 /nfs/dbraw/zinc/06/17/33/521061733.db2.gz LIEPFSATHZYXLT-CYBMUJFWSA-N 1 2 289.379 2.140 10 0 CEAELO CCOC(=O)[C@@](C)(CCOc1ccc(F)cc1F)[NH2+]C ZINC000045508346 521145923 /nfs/dbraw/zinc/14/59/23/521145923.db2.gz AKMREJWHIKFOSG-CQSZACIVSA-N 1 2 287.306 2.275 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@@H](C)Oc1ccc(OC)cc1)[NH2+]C ZINC000068656807 521150792 /nfs/dbraw/zinc/15/07/92/521150792.db2.gz YGLROIXQEHEYCU-MLGOLLRUSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@@](COc1cccc(OC)c1)([NH2+]C)C1CC1 ZINC000069197129 521169191 /nfs/dbraw/zinc/16/91/91/521169191.db2.gz KJJYWKBIVFRBDQ-INIZCTEOSA-N 1 2 293.363 2.005 10 0 CEAELO CCN(C[C@@]([NH2+]C)(C(=O)OC)C1CC1)c1ccc(C)cc1 ZINC000069231302 521235068 /nfs/dbraw/zinc/23/50/68/521235068.db2.gz PSGPESZCBNMPAP-KRWDZBQOSA-N 1 2 290.407 2.363 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccccc1)[NH2+]C1CC1 ZINC000062550099 521247522 /nfs/dbraw/zinc/24/75/22/521247522.db2.gz IAIAVISMRCQFGO-AWEZNQCLSA-N 1 2 263.337 2.139 10 0 CEAELO CCCC[C@](CC)([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000069381781 521255658 /nfs/dbraw/zinc/25/56/58/521255658.db2.gz ZEJPZHNIBDWVRA-OCCSQVGLSA-N 1 2 257.374 2.267 10 0 CEAELO CCOC(=O)[C@](C)(CCOC1CCC1)[NH2+]C1CC1 ZINC000050521686 521320615 /nfs/dbraw/zinc/32/06/15/521320615.db2.gz SOQVVPUAARGLCJ-AWEZNQCLSA-N 1 2 255.358 2.019 10 0 CEAELO COC(=O)c1cc(NCc2c[nH+]c[nH]2)ccc1Cl ZINC000054764154 521894140 /nfs/dbraw/zinc/89/41/40/521894140.db2.gz JMCFCMVZZDPCBY-UHFFFAOYSA-N 1 2 265.700 2.462 10 0 CEAELO COC(=O)c1cc(NCc2c[nH]c[nH+]2)ccc1Cl ZINC000054764154 521894146 /nfs/dbraw/zinc/89/41/46/521894146.db2.gz JMCFCMVZZDPCBY-UHFFFAOYSA-N 1 2 265.700 2.462 10 0 CEAELO C[NH2+][C@@](COc1ccc2c(c1)CCC2)(C(=O)OC)C1CC1 ZINC000069196721 522431104 /nfs/dbraw/zinc/43/11/04/522431104.db2.gz WAUZTEZYFOGXQQ-QGZVFWFLSA-N 1 2 289.375 2.095 10 0 CEAELO C[NH2+][C@H](CCOc1ccc2ccccc2c1)C(=O)OC ZINC000062550764 522464050 /nfs/dbraw/zinc/46/40/50/522464050.db2.gz VUZYZBKRRVVRQE-OAHLLOKOSA-N 1 2 273.332 2.370 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)n1c(C)[nH+]c2ccccc21)C(=O)[O-] ZINC000068648805 522520722 /nfs/dbraw/zinc/52/07/22/522520722.db2.gz JJECPUYLQQIPIY-MEBBXXQBSA-N 1 2 275.352 2.359 10 0 CEAELO CCc1[nH+]ccn1-c1nc(CO)cc2ccccc21 ZINC000048822444 522580453 /nfs/dbraw/zinc/58/04/53/522580453.db2.gz KBYZSSSMMHJLLB-UHFFFAOYSA-N 1 2 253.305 2.475 10 0 CEAELO C[N@H+](CC1CCCCC1)c1ccc(N)cc1C(N)=O ZINC000048997103 522656756 /nfs/dbraw/zinc/65/67/56/522656756.db2.gz JMXZKRADQWLATF-UHFFFAOYSA-N 1 2 261.369 2.384 10 0 CEAELO C[N@@H+](CC1CCCCC1)c1ccc(N)cc1C(N)=O ZINC000048997103 522656764 /nfs/dbraw/zinc/65/67/64/522656764.db2.gz JMXZKRADQWLATF-UHFFFAOYSA-N 1 2 261.369 2.384 10 0 CEAELO CNc1[nH+]c2cc(OC)ccc2cc1COCCOC ZINC000050831324 522688197 /nfs/dbraw/zinc/68/81/97/522688197.db2.gz AYJYFEKNWHMNBI-UHFFFAOYSA-N 1 2 276.336 2.448 10 0 CEAELO CNc1[nH+]cnc2c1cnn2-c1cc(C)ccc1C ZINC000062366778 522716260 /nfs/dbraw/zinc/71/62/60/522716260.db2.gz DIRJFMAXEWUHEY-UHFFFAOYSA-N 1 2 253.309 2.474 10 0 CEAELO COC(=O)C(C)(C)[NH2+]Cc1cccc2cnccc21 ZINC000061125255 522802085 /nfs/dbraw/zinc/80/20/85/522802085.db2.gz BXHBWYYDOHILMJ-UHFFFAOYSA-N 1 2 258.321 2.276 10 0 CEAELO COC(=O)CCC[N@H+](C)Cc1cccnc1Cl ZINC000052718263 523010634 /nfs/dbraw/zinc/01/06/34/523010634.db2.gz SYRUEUWXZHBTPP-UHFFFAOYSA-N 1 2 256.733 2.120 10 0 CEAELO COC(=O)CCC[N@@H+](C)Cc1cccnc1Cl ZINC000052718263 523010642 /nfs/dbraw/zinc/01/06/42/523010642.db2.gz SYRUEUWXZHBTPP-UHFFFAOYSA-N 1 2 256.733 2.120 10 0 CEAELO CCn1ccnc1[C@H]([NH2+]C)c1ccc(Br)cn1 ZINC000061871221 523560365 /nfs/dbraw/zinc/56/03/65/523560365.db2.gz QEKJHJBFZLLHJL-LLVKDONJSA-N 1 2 295.184 2.369 10 0 CEAELO CCc1nc(C[NH2+]CCOC)[nH]c1-c1ccccc1 ZINC000069236720 523661201 /nfs/dbraw/zinc/66/12/01/523661201.db2.gz BVOIJRSZGJBPID-UHFFFAOYSA-N 1 2 259.353 2.375 10 0 CEAELO COC(=O)[C@@](C)(CCn1nc(C)c(Cl)c1C)[NH2+]C1CC1 ZINC000050588275 523815507 /nfs/dbraw/zinc/81/55/07/523815507.db2.gz FFSWEQUMRHJMCU-CQSZACIVSA-N 1 2 299.802 2.227 10 0 CEAELO COC(=O)[C@H]([NH2+]CC1CC1)c1ccc2ncccc2c1 ZINC000069503448 523924637 /nfs/dbraw/zinc/92/46/37/523924637.db2.gz XWCRZPOPEVRFPO-OAHLLOKOSA-N 1 2 270.332 2.449 10 0 CEAELO CC[C@H](C)N1CC[NH+]([C@H]2CCCCCC2=O)CC1 ZINC000055064227 523959594 /nfs/dbraw/zinc/95/95/94/523959594.db2.gz SCPDHZBACWRRQR-KBPBESRZSA-N 1 2 252.402 2.304 10 0 CEAELO COC(=O)[C@](C)(C[C@H](C)Sc1cnccn1)[NH2+]C1CC1 ZINC000068643090 524001024 /nfs/dbraw/zinc/00/10/24/524001024.db2.gz ITIMLIKZMLRTMZ-HZMBPMFUSA-N 1 2 295.408 2.031 10 0 CEAELO C[C@@H](C(=O)c1ccccc1)N(C)Cc1[nH+]ccn1C ZINC000062248531 524306660 /nfs/dbraw/zinc/30/66/60/524306660.db2.gz ZSDGURBFIXRATM-LBPRGKRZSA-N 1 2 257.337 2.123 10 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274.368 2.415 10 0 CEAELO C[C@H](C(=O)c1ccc(F)c(F)c1)[N@@H+]1CCCC[C@@H]1CO ZINC000050152335 526190165 /nfs/dbraw/zinc/19/01/65/526190165.db2.gz ORIDZUZIHRKFJZ-ZYHUDNBSSA-N 1 2 283.318 2.383 10 0 CEAELO C[C@H](C(=O)c1ccc(F)c(F)c1)[N@H+]1CCCC[C@@H]1CO ZINC000050152335 526190170 /nfs/dbraw/zinc/19/01/70/526190170.db2.gz ORIDZUZIHRKFJZ-ZYHUDNBSSA-N 1 2 283.318 2.383 10 0 CEAELO FC1(F)Oc2ccc(NCc3c[nH+]c[nH]3)cc2O1 ZINC000054763175 526279756 /nfs/dbraw/zinc/27/97/56/526279756.db2.gz APBYQUPGJNEAGM-UHFFFAOYSA-N 1 2 253.208 2.343 10 0 CEAELO FC1(F)Oc2ccc(NCc3c[nH]c[nH+]3)cc2O1 ZINC000054763175 526279758 /nfs/dbraw/zinc/27/97/58/526279758.db2.gz APBYQUPGJNEAGM-UHFFFAOYSA-N 1 2 253.208 2.343 10 0 CEAELO O=C([O-])c1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000050920927 526367602 /nfs/dbraw/zinc/36/76/02/526367602.db2.gz RLAMQGFVCBLQTM-UHFFFAOYSA-N 1 2 273.336 2.151 10 0 CEAELO c1c[nH+]c(N2CCCC2)c(NCc2cnccn2)c1 ZINC000054765872 526541908 /nfs/dbraw/zinc/54/19/08/526541908.db2.gz OBOPJGXRLRRDRJ-UHFFFAOYSA-N 1 2 255.325 2.084 10 0 CEAELO Cc1[nH+]c(-c2ccc(F)c(Br)c2)c(N)n1N ZINC000052838406 526573365 /nfs/dbraw/zinc/57/33/65/526573365.db2.gz KYLBCGFSDRQSAG-UHFFFAOYSA-N 1 2 285.120 2.056 10 0 CEAELO Cc1[nH]c(CNc2ccc(C(N)=O)c(Cl)c2)c[nH+]1 ZINC000054822113 526898389 /nfs/dbraw/zinc/89/83/89/526898389.db2.gz MSTPTVNCOIANNU-UHFFFAOYSA-N 1 2 264.716 2.083 10 0 CEAELO Cc1[nH]cc(CNc2ccc(C(N)=O)c(Cl)c2)[nH+]1 ZINC000054822113 526898393 /nfs/dbraw/zinc/89/83/93/526898393.db2.gz MSTPTVNCOIANNU-UHFFFAOYSA-N 1 2 264.716 2.083 10 0 CEAELO Cc1[nH]c(CNc2ccccc2N2CCCC2=O)c[nH+]1 ZINC000054798546 526901753 /nfs/dbraw/zinc/90/17/53/526901753.db2.gz YAKVSAJQOLBNOK-UHFFFAOYSA-N 1 2 270.336 2.457 10 0 CEAELO Cc1[nH]cc(CNc2ccccc2N2CCCC2=O)[nH+]1 ZINC000054798546 526901764 /nfs/dbraw/zinc/90/17/64/526901764.db2.gz YAKVSAJQOLBNOK-UHFFFAOYSA-N 1 2 270.336 2.457 10 0 CEAELO NC(=S)c1c(Cl)cccc1NCCn1cc[nH+]c1 ZINC000052906077 527112991 /nfs/dbraw/zinc/11/29/91/527112991.db2.gz UYOYVDZXSQRZLT-UHFFFAOYSA-N 1 2 280.784 2.283 10 0 CEAELO NC(=S)c1cc(Cl)ccc1NCCn1cc[nH+]c1 ZINC000052858609 527114065 /nfs/dbraw/zinc/11/40/65/527114065.db2.gz PMFIDNYLEFXERZ-UHFFFAOYSA-N 1 2 280.784 2.283 10 0 CEAELO Cc1[nH+]c2ccccc2n1Cc1ccnc(C(N)=S)c1 ZINC000068753230 527171950 /nfs/dbraw/zinc/17/19/50/527171950.db2.gz FQNMIYISRNSXHM-UHFFFAOYSA-N 1 2 282.372 2.422 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1cccc(-c2nncn2C)c1 ZINC000054796074 527216216 /nfs/dbraw/zinc/21/62/16/527216216.db2.gz IVNRFGKAMQOONT-UHFFFAOYSA-N 1 2 268.324 2.126 10 0 CEAELO CCOCC[N@@H+]1CCN(C(=O)c2oc(C)cc2C)C[C@H]1C ZINC000176755212 528749218 /nfs/dbraw/zinc/74/92/18/528749218.db2.gz FYMPQSYDCANZIH-CYBMUJFWSA-N 1 2 294.395 2.079 10 0 CEAELO CCOCC[N@H+]1CCN(C(=O)c2oc(C)cc2C)C[C@H]1C ZINC000176755212 528749223 /nfs/dbraw/zinc/74/92/23/528749223.db2.gz FYMPQSYDCANZIH-CYBMUJFWSA-N 1 2 294.395 2.079 10 0 CEAELO CC[C@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000177937235 529169499 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CEAELO Cn1cc[nH+]c1[C@@H](NN)c1ccc(F)c(C(F)(F)F)c1 ZINC000097736684 185659269 /nfs/dbraw/zinc/65/92/69/185659269.db2.gz INYNUVYRJATNIS-JTQLQIEISA-N 1 2 288.248 2.131 10 0 CEAELO [NH3+]Cc1ccc(S(=O)(=O)Nc2ccsc2)s1 ZINC000085535781 179092661 /nfs/dbraw/zinc/09/26/61/179092661.db2.gz ULSWQNXJKLXAIY-UHFFFAOYSA-N 1 2 274.392 2.069 10 0 CEAELO Cc1nc(C[NH+](C)C)nc(Cl)c1Br ZINC000085792383 179172030 /nfs/dbraw/zinc/17/20/30/179172030.db2.gz NFUBLEWTVDGXMI-UHFFFAOYSA-N 1 2 264.554 2.263 10 0 CEAELO CN1CC[N@H+](Cc2ccc3ccccc3n2)C(C)(C)C1=O ZINC000129718149 365889782 /nfs/dbraw/zinc/88/97/82/365889782.db2.gz PCSVHZUPCGLKMP-UHFFFAOYSA-N 1 2 283.375 2.287 10 0 CEAELO CN1CC[N@@H+](Cc2ccc3ccccc3n2)C(C)(C)C1=O ZINC000129718149 365889790 /nfs/dbraw/zinc/88/97/90/365889790.db2.gz PCSVHZUPCGLKMP-UHFFFAOYSA-N 1 2 283.375 2.287 10 0 CEAELO CC[NH2+][C@@H](c1occc1Br)C(OC)OC ZINC000086452413 179296668 /nfs/dbraw/zinc/29/66/68/179296668.db2.gz LVEFKSJPWRPOFT-QMMMGPOBSA-N 1 2 278.146 2.312 10 0 CEAELO 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C[N@@H+]1CCO[C@@H](CN[C@H](c2ccccc2)c2ccccn2)C1 ZINC000247769382 371139863 /nfs/dbraw/zinc/13/98/63/371139863.db2.gz ORGGYBSKGCSVIL-FUHWJXTLSA-N 1 2 297.402 2.091 10 0 CEAELO C[N@H+]1CCO[C@@H](CN[C@H](c2ccccc2)c2ccccn2)C1 ZINC000247769382 371139868 /nfs/dbraw/zinc/13/98/68/371139868.db2.gz ORGGYBSKGCSVIL-FUHWJXTLSA-N 1 2 297.402 2.091 10 0 CEAELO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1cc(F)ccc1F ZINC000645391661 374024322 /nfs/dbraw/zinc/02/43/22/374024322.db2.gz JWRNLDYIBYOQNS-CPCISQLKSA-N 1 2 290.260 2.139 10 0 CEAELO Cc1nnc([C@@H](C)Nc2nc[nH+]c(N)c2Cl)s1 ZINC000277938634 374688898 /nfs/dbraw/zinc/68/88/98/374688898.db2.gz WXAUFZSXWQBWGW-SCSAIBSYSA-N 1 2 270.749 2.045 10 0 CEAELO Cc1nnc([C@@H](C)Nc2[nH+]cnc(N)c2Cl)s1 ZINC000277938634 374688907 /nfs/dbraw/zinc/68/89/07/374688907.db2.gz WXAUFZSXWQBWGW-SCSAIBSYSA-N 1 2 270.749 2.045 10 0 CEAELO Brc1cccc2c1CC[C@@H]2[NH2+]Cc1cnn[nH]1 ZINC000398293528 375348456 /nfs/dbraw/zinc/34/84/56/375348456.db2.gz CDYAUCMZJMUNPJ-LBPRGKRZSA-N 1 2 293.168 2.344 10 0 CEAELO Brc1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH]nn1 ZINC000398293528 375348461 /nfs/dbraw/zinc/34/84/61/375348461.db2.gz CDYAUCMZJMUNPJ-LBPRGKRZSA-N 1 2 293.168 2.344 10 0 CEAELO Brc1cccc2c1CC[C@@H]2[NH2+]Cc1cn[nH]n1 ZINC000398293528 375348468 /nfs/dbraw/zinc/34/84/68/375348468.db2.gz CDYAUCMZJMUNPJ-LBPRGKRZSA-N 1 2 293.168 2.344 10 0 CEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC2(C1)CCCCC2 ZINC000263183229 284542593 /nfs/dbraw/zinc/54/25/93/284542593.db2.gz GZHJRHBLCRADQY-LLVKDONJSA-N 1 2 272.339 2.166 10 0 CEAELO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180857815 542267948 /nfs/dbraw/zinc/26/79/48/542267948.db2.gz SHOIJZOGGNENGM-ZYHUDNBSSA-N 1 2 288.399 2.099 10 0 CEAELO CC[C@@H]1C[C@H]1Nc1nc(NC)c(Br)c[nH+]1 ZINC000302534266 379391434 /nfs/dbraw/zinc/39/14/34/379391434.db2.gz MCGOLFODPZLTBY-HTRCEHHLSA-N 1 2 271.162 2.491 10 0 CEAELO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000335359268 208271887 /nfs/dbraw/zinc/27/18/87/208271887.db2.gz 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/nfs/dbraw/zinc/31/59/75/286315975.db2.gz ZQQCSVSCMPCHPX-TZMCWYRMSA-N 1 2 294.782 2.059 10 0 CEAELO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1C ZINC000195095400 153278325 /nfs/dbraw/zinc/27/83/25/153278325.db2.gz ZUNBTGLUXSHRHX-GFCCVEGCSA-N 1 2 288.399 2.041 10 0 CEAELO CC(C)c1nnc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1C ZINC000195095400 153278330 /nfs/dbraw/zinc/27/83/30/153278330.db2.gz ZUNBTGLUXSHRHX-GFCCVEGCSA-N 1 2 288.399 2.041 10 0 CEAELO CC(C)NC(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195367659 153287318 /nfs/dbraw/zinc/28/73/18/153287318.db2.gz YKYCXCXWIFAQQZ-LLVKDONJSA-N 1 2 267.398 2.195 10 0 CEAELO CC(C)NC(=O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195367659 153287325 /nfs/dbraw/zinc/28/73/25/153287325.db2.gz YKYCXCXWIFAQQZ-LLVKDONJSA-N 1 2 267.398 2.195 10 0 CEAELO CC(C)n1cc[nH+]c1CN1CCO[C@@H](c2nccs2)C1 ZINC000195521945 153293537 /nfs/dbraw/zinc/29/35/37/153293537.db2.gz AMJBBPLZYUHAPS-GFCCVEGCSA-N 1 2 292.408 2.494 10 0 CEAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCCC2)o1 ZINC000230642582 153395405 /nfs/dbraw/zinc/39/54/05/153395405.db2.gz IMRFHFLNOFUKRN-RYUDHWBXSA-N 1 2 279.384 2.471 10 0 CEAELO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230646124 153396487 /nfs/dbraw/zinc/39/64/87/153396487.db2.gz FZPYHYWKFWRESE-WCQGTBRESA-N 1 2 267.373 2.327 10 0 CEAELO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000247010503 153589902 /nfs/dbraw/zinc/58/99/02/153589902.db2.gz NWNWZWDLVVAGDO-TUVASFSCSA-N 1 2 282.428 2.133 10 0 CEAELO CCCCCC[C@@H](C)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000170781745 165041223 /nfs/dbraw/zinc/04/12/23/165041223.db2.gz KKNVPLGCDDEEKI-CABCVRRESA-N 1 2 284.444 2.430 10 0 CEAELO CCCCCC[C@@H](C)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000170781745 165041227 /nfs/dbraw/zinc/04/12/27/165041227.db2.gz KKNVPLGCDDEEKI-CABCVRRESA-N 1 2 284.444 2.430 10 0 CEAELO CCCCC[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173768338 165081849 /nfs/dbraw/zinc/08/18/49/165081849.db2.gz CLCBHZXZESJEJX-GJZGRUSLSA-N 1 2 297.443 2.071 10 0 CEAELO C[C@@H](NC(=O)c1ccnn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173925772 165092096 /nfs/dbraw/zinc/09/20/96/165092096.db2.gz JITLFVQXYBJEAQ-GFCCVEGCSA-N 1 2 295.346 2.097 10 0 CEAELO Cc1nc2n(n1)CCC[C@@H]2Nc1cc[nH+]c(C(C)C)n1 ZINC000176724539 165174342 /nfs/dbraw/zinc/17/43/42/165174342.db2.gz UHEIHZRGSPIQSQ-NSHDSACASA-N 1 2 272.356 2.447 10 0 CEAELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccoc1 ZINC000178494193 165245196 /nfs/dbraw/zinc/24/51/96/165245196.db2.gz RDZOVYDREVFEIM-PWSUYJOCSA-N 1 2 276.340 2.203 10 0 CEAELO Nc1[nH+]cccc1OCC(=O)Nc1ccccc1Cl ZINC000020483684 171223691 /nfs/dbraw/zinc/22/36/91/171223691.db2.gz FIBHOLZLBGPDJE-UHFFFAOYSA-N 1 2 277.711 2.335 10 0 CEAELO C[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C(=O)N(C)C ZINC000035138978 172006574 /nfs/dbraw/zinc/00/65/74/172006574.db2.gz RPRWRJDBFQCTCY-XJKSGUPXSA-N 1 2 283.375 2.237 10 0 CEAELO Nc1ccc2[nH]c(CSc3ncccn3)[nH+]c2c1 ZINC000037285764 173091966 /nfs/dbraw/zinc/09/19/66/173091966.db2.gz SLLJLGZQJYXNJN-UHFFFAOYSA-N 1 2 257.322 2.227 10 0 CEAELO CCOC(=O)[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037514890 173246952 /nfs/dbraw/zinc/24/69/52/173246952.db2.gz QJRITUYAMBPIMI-SECBINFHSA-N 1 2 263.215 2.148 10 0 CEAELO CC(C)NC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000040295889 174223925 /nfs/dbraw/zinc/22/39/25/174223925.db2.gz LTIAWWZLJBHLEK-UHFFFAOYSA-N 1 2 257.337 2.438 10 0 CEAELO O=Cc1ccc2ccccc2c1OCC[NH+]1CCOCC1 ZINC000040541803 174322785 /nfs/dbraw/zinc/32/27/85/174322785.db2.gz VCLXQUPJMHIPNE-UHFFFAOYSA-N 1 2 285.343 2.363 10 0 CEAELO CNc1[nH+]cnc(Nc2nc3ccccc3s2)c1N ZINC000040706932 174379501 /nfs/dbraw/zinc/37/95/01/174379501.db2.gz UOJSLXOKUQCHQS-UHFFFAOYSA-N 1 2 272.337 2.454 10 0 CEAELO CC(=O)c1cccc(Nc2[nH+]cnc(N(C)C)c2N)c1 ZINC000040705176 174379556 /nfs/dbraw/zinc/37/95/56/174379556.db2.gz DVVJGYKXQWBSSS-UHFFFAOYSA-N 1 2 271.324 2.071 10 0 CEAELO CC(=O)c1cccc(Nc2nc[nH+]c(N(C)C)c2N)c1 ZINC000040705176 174379558 /nfs/dbraw/zinc/37/95/58/174379558.db2.gz DVVJGYKXQWBSSS-UHFFFAOYSA-N 1 2 271.324 2.071 10 0 CEAELO CCNc1nc[nH+]c(Nc2ccc(NC(C)=O)cc2)c1N ZINC000040707498 174379849 /nfs/dbraw/zinc/37/98/49/174379849.db2.gz GPRIKUCOKRQBAA-UHFFFAOYSA-N 1 2 286.339 2.193 10 0 CEAELO CCNc1[nH+]cnc(Nc2ccc(NC(C)=O)cc2)c1N ZINC000040707498 174379850 /nfs/dbraw/zinc/37/98/50/174379850.db2.gz GPRIKUCOKRQBAA-UHFFFAOYSA-N 1 2 286.339 2.193 10 0 CEAELO COCCNc1nc[nH+]c(Nc2cccc(C)c2C)c1N ZINC000040755129 174396234 /nfs/dbraw/zinc/39/62/34/174396234.db2.gz DSFIJCKAHRQTCH-UHFFFAOYSA-N 1 2 287.367 2.478 10 0 CEAELO Cc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000122757530 414790407 /nfs/dbraw/zinc/79/04/07/414790407.db2.gz GDSVJUYLBRGCCR-CYBMUJFWSA-N 1 2 285.351 2.283 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271869 175342324 /nfs/dbraw/zinc/34/23/24/175342324.db2.gz WLECEWNNTMUROG-HNNXBMFYSA-N 1 2 270.417 2.484 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271869 175342326 /nfs/dbraw/zinc/34/23/26/175342326.db2.gz WLECEWNNTMUROG-HNNXBMFYSA-N 1 2 270.417 2.484 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281517 175353143 /nfs/dbraw/zinc/35/31/43/175353143.db2.gz RCNKYIVAVWXECK-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281517 175353145 /nfs/dbraw/zinc/35/31/45/175353145.db2.gz RCNKYIVAVWXECK-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO O=[S@@]1CC[NH2+][C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000070674647 176000667 /nfs/dbraw/zinc/00/06/67/176000667.db2.gz RDTVKOQRKJTGCO-BMIGLBTASA-N 1 2 264.177 2.386 10 0 CEAELO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nccs1 ZINC000070942272 176015190 /nfs/dbraw/zinc/01/51/90/176015190.db2.gz KDOCDGQWZDNTRH-NXEZZACHSA-N 1 2 255.387 2.051 10 0 CEAELO Cn1ccnc1C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000071140795 176038937 /nfs/dbraw/zinc/03/89/37/176038937.db2.gz STXBKHWODMBVBH-UHFFFAOYSA-N 1 2 255.243 2.127 10 0 CEAELO Cn1cc[nH+]c1CNc1ccc(Cl)cc1C(N)=S ZINC000071276276 176107350 /nfs/dbraw/zinc/10/73/50/176107350.db2.gz NURZWBBBVJPCSX-UHFFFAOYSA-N 1 2 280.784 2.320 10 0 CEAELO COc1ncnc(OC)c1C[NH2+]Cc1ccc(Cl)s1 ZINC000071306511 176115879 /nfs/dbraw/zinc/11/58/79/176115879.db2.gz ISIJPRFNBSPFEF-UHFFFAOYSA-N 1 2 299.783 2.499 10 0 CEAELO COC(=O)[C@@](C)([NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000071399815 176152088 /nfs/dbraw/zinc/15/20/88/176152088.db2.gz DUECSAQZOMFKNA-HIFRSBDPSA-N 1 2 269.385 2.267 10 0 CEAELO CC(C)(C)c1ccc(OCc2nnc(C[NH3+])[nH]2)cc1 ZINC000072236614 176345661 /nfs/dbraw/zinc/34/56/61/176345661.db2.gz NHNPKXGPDUVYSA-UHFFFAOYSA-N 1 2 260.341 2.140 10 0 CEAELO Cn1c2ccccc2[nH+]c1N1CCC[C@@H]1CCCO ZINC000079048940 177421491 /nfs/dbraw/zinc/42/14/91/177421491.db2.gz PPHRHEXKEBPLHV-GFCCVEGCSA-N 1 2 259.353 2.315 10 0 CEAELO C[C@H](NC(=O)N1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875920 260288641 /nfs/dbraw/zinc/28/86/41/260288641.db2.gz JGVHVTWXHOKBCE-LBPRGKRZSA-N 1 2 270.336 2.349 10 0 CEAELO COc1cccc(C[NH2+][C@H](CN(C)C)c2ccccc2)n1 ZINC000189426518 278013066 /nfs/dbraw/zinc/01/30/66/278013066.db2.gz LLEVTSHKHJIJOP-MRXNPFEDSA-N 1 2 285.391 2.483 10 0 CEAELO CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000373090432 280088043 /nfs/dbraw/zinc/08/80/43/280088043.db2.gz WGJNPNCAMJIQRJ-XQQFMLRXSA-N 1 2 277.368 2.134 10 0 CEAELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(O)c1 ZINC000194909873 280198390 /nfs/dbraw/zinc/19/83/90/280198390.db2.gz WNSDABZZBCMESY-GXFFZTMASA-N 1 2 258.325 2.169 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000247103372 280320637 /nfs/dbraw/zinc/32/06/37/280320637.db2.gz ONPMYYYLSZRATH-CHWSQXEVSA-N 1 2 298.427 2.097 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000247103372 280320640 /nfs/dbraw/zinc/32/06/40/280320640.db2.gz ONPMYYYLSZRATH-CHWSQXEVSA-N 1 2 298.427 2.097 10 0 CEAELO CC(C)n1c[nH+]c2c1[C@@H](CO)N(C(=O)OC(C)(C)C)CC2 ZINC000091303211 280783307 /nfs/dbraw/zinc/78/33/07/280783307.db2.gz JMBRLGSSSJULSD-GFCCVEGCSA-N 1 2 295.383 2.291 10 0 CEAELO Cc1ccc([C@@H](C)[NH2+]Cc2cn3cccnc3n2)o1 ZINC000193138871 289255337 /nfs/dbraw/zinc/25/53/37/289255337.db2.gz USJCWWLGQPRPDA-LLVKDONJSA-N 1 2 256.309 2.482 10 0 CEAELO COc1ccc([C@H](C)[NH2+]Cc2nc(C)no2)cc1OC ZINC000038034426 326869073 /nfs/dbraw/zinc/86/90/73/326869073.db2.gz PWYWQIHUZUQAEM-VIFPVBQESA-N 1 2 277.324 2.246 10 0 CEAELO CCC[NH2+][C@@](C)(C[C@H](C)N(C)CC(F)(F)F)C(=O)OC ZINC000068627509 520045559 /nfs/dbraw/zinc/04/55/59/520045559.db2.gz QDDPBLVQEHRBOL-JQWIXIFHSA-N 1 2 298.349 2.190 10 0 CEAELO CCC[NH2+][C@H](c1cscn1)c1nccn1CC ZINC000062361855 520090329 /nfs/dbraw/zinc/09/03/29/520090329.db2.gz NMDKOHMYCSUNDQ-LLVKDONJSA-N 1 2 250.371 2.449 10 0 CEAELO CC[NH2+][C@@](C[NH+](CC(C)C)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069100855 520152271 /nfs/dbraw/zinc/15/22/71/520152271.db2.gz CNPQQOWQQXPNCL-MRXNPFEDSA-N 1 2 284.444 2.443 10 0 CEAELO CCCNc1snnc1C[N@H+](CCO)C(CC)CC ZINC000050816952 520203285 /nfs/dbraw/zinc/20/32/85/520203285.db2.gz UEXLTXDJOPSEKZ-UHFFFAOYSA-N 1 2 286.445 2.343 10 0 CEAELO CCCNc1snnc1C[N@@H+](CCO)C(CC)CC ZINC000050816952 520203294 /nfs/dbraw/zinc/20/32/94/520203294.db2.gz UEXLTXDJOPSEKZ-UHFFFAOYSA-N 1 2 286.445 2.343 10 0 CEAELO CCCNc1snnc1C[N@H+](CCO)C1CCCC1 ZINC000050816376 520203398 /nfs/dbraw/zinc/20/33/98/520203398.db2.gz XOQJXNBPSRIISI-UHFFFAOYSA-N 1 2 284.429 2.097 10 0 CEAELO CCCNc1snnc1C[N@@H+](CCO)C1CCCC1 ZINC000050816376 520203407 /nfs/dbraw/zinc/20/34/07/520203407.db2.gz XOQJXNBPSRIISI-UHFFFAOYSA-N 1 2 284.429 2.097 10 0 CEAELO CCOC(=O)[C@](CSCC(C)C)([NH2+]C)C1CC1 ZINC000069184263 521342867 /nfs/dbraw/zinc/34/28/67/521342867.db2.gz IVBGBLSEDCQDLA-CYBMUJFWSA-N 1 2 259.415 2.307 10 0 CEAELO CC[NH+]1CCN(C[C@H]2C[C@@H](C(C)C)CCC2=O)CC1 ZINC000054558839 521687112 /nfs/dbraw/zinc/68/71/12/521687112.db2.gz IZRAYLCUOFDCSZ-LSDHHAIUSA-N 1 2 266.429 2.265 10 0 CEAELO CC(C)C1=NN(c2ccccc2)C(=O)[C@H]1CCC[NH3+] ZINC000069506737 519558679 /nfs/dbraw/zinc/55/86/79/519558679.db2.gz BEQCQJCUWSETBT-ZDUSSCGKSA-N 1 2 259.353 2.400 10 0 CEAELO CC(C)c1[nH+]c(-c2cc3c(c(Cl)c2)OCO3)c(N)n1N ZINC000052839996 519858363 /nfs/dbraw/zinc/85/83/63/519858363.db2.gz AOINJGUYXWRWDF-UHFFFAOYSA-N 1 2 294.742 2.352 10 0 CEAELO CCCCCCOC[C@@]([NH2+]C)(C(=O)OC)C1CC1 ZINC000069195320 520100816 /nfs/dbraw/zinc/10/08/16/520100816.db2.gz HEHFFNAWLQNOCA-AWEZNQCLSA-N 1 2 257.374 2.125 10 0 CEAELO CCC[NH2+][C@H](CO[C@H](C)CC(C)C)C(=O)OCC ZINC000045503969 520085003 /nfs/dbraw/zinc/08/50/03/520085003.db2.gz GKXNXIRVHMWIJG-CHWSQXEVSA-N 1 2 259.390 2.369 10 0 CEAELO CC[NH2+][C@@H](CCSc1nc(C)cc(C)n1)C(=O)OCC ZINC000062602991 520094961 /nfs/dbraw/zinc/09/49/61/520094961.db2.gz NJYHNASKNJXOBE-LBPRGKRZSA-N 1 2 297.424 2.117 10 0 CEAELO CCC[NH2+][C@](C[NH+]1[C@@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096103 520121594 /nfs/dbraw/zinc/12/15/94/520121594.db2.gz SLFTZLSYWJVXPU-XEZPLFJOSA-N 1 2 282.428 2.482 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)Oc1cccc(OC)c1)C(=O)OC ZINC000068655574 520146585 /nfs/dbraw/zinc/14/65/85/520146585.db2.gz KGNJDEIVKBTPPQ-LRDDRELGSA-N 1 2 295.379 2.394 10 0 CEAELO CC[NH2+][C@@](CSC(C)(C)C)(C(=O)OC)C1CC1 ZINC000069185273 520158535 /nfs/dbraw/zinc/15/85/35/520158535.db2.gz JRTGNAKNQLDTPX-CYBMUJFWSA-N 1 2 259.415 2.449 10 0 CEAELO CC[NH2+][C@H](CCOc1cccc(N(C)C)c1)C(=O)OCC ZINC000062541652 520192399 /nfs/dbraw/zinc/19/23/99/520192399.db2.gz BACMLGUCIJRPNQ-OAHLLOKOSA-N 1 2 294.395 2.063 10 0 CEAELO CC[NH2+][C@H](CCOc1cccc(OC)c1)C(=O)OCC ZINC000062548460 520193360 /nfs/dbraw/zinc/19/33/60/520193360.db2.gz FYMHVQWPVIQKTB-CQSZACIVSA-N 1 2 281.352 2.005 10 0 CEAELO CCCNc1[nH+]cccc1CN1C(=O)N[C@@H](CCC)C1=O ZINC000052732718 520196451 /nfs/dbraw/zinc/19/64/51/520196451.db2.gz ZYTGAMWOFFTHES-LBPRGKRZSA-N 1 2 290.367 2.124 10 0 CEAELO CC[NH2+][C@](C)(CCOc1cccc(F)c1F)C(=O)OC ZINC000062653332 520230831 /nfs/dbraw/zinc/23/08/31/520230831.db2.gz XHIBXQBKVIUQHN-CQSZACIVSA-N 1 2 287.306 2.275 10 0 CEAELO CCNc1[nH+]cccc1CSc1ncnc2[nH]cnc21 ZINC000052756629 520377516 /nfs/dbraw/zinc/37/75/16/520377516.db2.gz DNRHOSOOFBGDHB-UHFFFAOYSA-N 1 2 286.364 2.472 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@@H](C)Sc1nccc(C)n1)[NH2+]C ZINC000068640454 521149552 /nfs/dbraw/zinc/14/95/52/521149552.db2.gz JXHSISUXTUHTGN-BXUZGUMPSA-N 1 2 297.424 2.197 10 0 CEAELO CCOc1ccc(OCC[C@H]([NH2+]C2CC2)C(=O)OC)cc1 ZINC000062547637 521176327 /nfs/dbraw/zinc/17/63/27/521176327.db2.gz PJKLNESKDATWTI-HNNXBMFYSA-N 1 2 293.363 2.148 10 0 CEAELO CCOc1ccc(O[C@H](C)C[C@](C)([NH2+]C)C(=O)OC)cc1 ZINC000068655142 521181476 /nfs/dbraw/zinc/18/14/76/521181476.db2.gz ZOIPGNWKUCFHLR-WBMJQRKESA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@H](CCOCCC(C)C)[NH2+]C1CC1 ZINC000062543977 521248024 /nfs/dbraw/zinc/24/80/24/521248024.db2.gz RTGBVYXAGCNOFF-ZDUSSCGKSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@H](COc1cccc(F)c1F)[NH2+]C(C)C ZINC000062653869 521253383 /nfs/dbraw/zinc/25/33/83/521253383.db2.gz AZLKGZTYWVFSLM-NSHDSACASA-N 1 2 287.306 2.273 10 0 CEAELO CCOC(=O)[C@H](CSCc1cccc(C)c1)[NH2+]C ZINC000054966441 521253904 /nfs/dbraw/zinc/25/39/04/521253904.db2.gz CHHLACYXCIGFTH-ZDUSSCGKSA-N 1 2 267.394 2.379 10 0 CEAELO CCOc1cccc(OCC[C@@H]([NH2+]C(C)C)C(=O)OC)c1 ZINC000062595904 521403049 /nfs/dbraw/zinc/40/30/49/521403049.db2.gz WDAWCAYLIZAVCZ-OAHLLOKOSA-N 1 2 295.379 2.394 10 0 CEAELO CCCc1[nH+]c(-c2ccccc2Cl)c(N)n1N ZINC000052839364 521466448 /nfs/dbraw/zinc/46/64/48/521466448.db2.gz WUWJGJLHLXXAGF-UHFFFAOYSA-N 1 2 250.733 2.452 10 0 CEAELO C[NH2+][C@H](c1cnccn1)c1ccc(F)c(F)c1F ZINC000061838522 522486182 /nfs/dbraw/zinc/48/61/82/522486182.db2.gz NQPAUWRHPBPKLT-LBPRGKRZSA-N 1 2 253.227 2.203 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)Oc1ccccc1OC)C(=O)OC ZINC000068656639 522519902 /nfs/dbraw/zinc/51/99/02/522519902.db2.gz VXLHRYYCMITMSL-IAQYHMDHSA-N 1 2 281.352 2.004 10 0 CEAELO CNc1snnc1Cn1c(C)[nH+]c2ccccc21 ZINC000050829165 522734751 /nfs/dbraw/zinc/73/47/51/522734751.db2.gz YQKCVGOJJRAQCM-UHFFFAOYSA-N 1 2 259.338 2.286 10 0 CEAELO COC(=O)[C@H](CCN(C)c1ccccc1OC)[NH2+]C(C)C ZINC000062528331 523898240 /nfs/dbraw/zinc/89/82/40/523898240.db2.gz MIQBEFDWUNORBC-ZDUSSCGKSA-N 1 2 294.395 2.061 10 0 CEAELO COCC[NH2+][C@@H](c1nc(C)c(C)s1)c1cccnc1 ZINC000053290862 523960244 /nfs/dbraw/zinc/96/02/44/523960244.db2.gz SDWCPBOYZQZZCO-CYBMUJFWSA-N 1 2 277.393 2.480 10 0 CEAELO COC(=O)[C@](C)(CN(C)c1cccc(F)c1)[NH2+]C(C)C ZINC000050008387 523998869 /nfs/dbraw/zinc/99/88/69/523998869.db2.gz BSAJFLFYISKUNC-HNNXBMFYSA-N 1 2 282.359 2.192 10 0 CEAELO COc1ccc(Cc2nc(N)c3c([nH+]2)CCC3)cc1OC ZINC000050844680 524165092 /nfs/dbraw/zinc/16/50/92/524165092.db2.gz SBOMSPQNBJSWQH-UHFFFAOYSA-N 1 2 285.347 2.156 10 0 CEAELO Cc1cc(C)c(-n2ncc3c2nc[nH+]c3N)c(C)c1 ZINC000062367210 524212157 /nfs/dbraw/zinc/21/21/57/524212157.db2.gz WCFLGWKNFZHHFA-UHFFFAOYSA-N 1 2 253.309 2.323 10 0 CEAELO Cc1ccc(CN(C)c2cc[nH+]c(C(N)=S)c2)o1 ZINC000061812545 524400934 /nfs/dbraw/zinc/40/09/34/524400934.db2.gz IKBGZUXWNSACTQ-UHFFFAOYSA-N 1 2 261.350 2.254 10 0 CEAELO C[C@H]1CCc2ccccc2N1C(=O)c1cccc(NN)[nH+]1 ZINC000051088899 524439013 /nfs/dbraw/zinc/43/90/13/524439013.db2.gz CUCSRVMTCXSTHY-NSHDSACASA-N 1 2 282.347 2.349 10 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CEAELO C[C@@H]1C[C@@H](C)CN(c2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061535283 525215235 /nfs/dbraw/zinc/21/52/35/525215235.db2.gz LLLULXFHLKSJJI-NXEZZACHSA-N 1 2 292.774 2.193 10 0 CEAELO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000069074416 526780649 /nfs/dbraw/zinc/78/06/49/526780649.db2.gz XCAIBFWMKRAPCR-UHFFFAOYSA-N 1 2 278.783 2.441 10 0 CEAELO Cc1[nH]c(C[NH2+][C@@H](CC(=O)[O-])c2cccs2)c[nH+]1 ZINC000054822037 526891482 /nfs/dbraw/zinc/89/14/82/526891482.db2.gz FPZCSASHDOORNW-JTQLQIEISA-N 1 2 265.338 2.085 10 0 CEAELO Clc1nc(-n2cc[nH+]c2)nc(N2CCCCCCC2)n1 ZINC000061535746 527003828 /nfs/dbraw/zinc/00/38/28/527003828.db2.gz REQUQJLIRRTOFC-UHFFFAOYSA-N 1 2 292.774 2.481 10 0 CEAELO Cc1[nH]c2ccc(NC(=O)Cc3csc(N)n3)cc2[nH+]1 ZINC000055272140 527125330 /nfs/dbraw/zinc/12/53/30/527125330.db2.gz ZCNAPQWZSADIDR-UHFFFAOYSA-N 1 2 287.348 2.091 10 0 CEAELO Cn1cc(Br)cc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680296 527147885 /nfs/dbraw/zinc/14/78/85/527147885.db2.gz YDWQTSCSJQPWKU-UHFFFAOYSA-N 1 2 295.140 2.017 10 0 CEAELO Nc1c(-c2ccc(SC(F)(F)F)cc2)[nH+]cn1N ZINC000052838060 527422779 /nfs/dbraw/zinc/42/27/79/527422779.db2.gz ALWINICTWDLXMQ-UHFFFAOYSA-N 1 2 274.271 2.458 10 0 CEAELO Nc1c(-c2ccc3c(c2)CCO3)[nH+]c(C2CCCC2)n1N ZINC000052839588 527423134 /nfs/dbraw/zinc/42/31/34/527423134.db2.gz QMGMWNJQFWVFNZ-UHFFFAOYSA-N 1 2 284.363 2.439 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000062725887 527536294 /nfs/dbraw/zinc/53/62/94/527536294.db2.gz DNOSOKBIXOEDDD-UHFFFAOYSA-N 1 2 279.303 2.102 10 0 CEAELO Nc1nc(N2CCCC2)[nH+]cc1-c1cccc(F)c1 ZINC000061675389 527554677 /nfs/dbraw/zinc/55/46/77/527554677.db2.gz RGIRMAGGHPGBSE-UHFFFAOYSA-N 1 2 258.300 2.465 10 0 CEAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC000157995793 527663044 /nfs/dbraw/zinc/66/30/44/527663044.db2.gz HGZGFGYMGGRPGJ-CYBMUJFWSA-N 1 2 260.341 2.362 10 0 CEAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccon1 ZINC000157995793 527663048 /nfs/dbraw/zinc/66/30/48/527663048.db2.gz HGZGFGYMGGRPGJ-CYBMUJFWSA-N 1 2 260.341 2.362 10 0 CEAELO CCC[N@@H+](Cc1nnc(C2CC2)n1C)C[C@@H]1CCCCO1 ZINC000170958223 528156499 /nfs/dbraw/zinc/15/64/99/528156499.db2.gz ZUJQDAWENURTOO-AWEZNQCLSA-N 1 2 292.427 2.474 10 0 CEAELO CCC[N@H+](Cc1nnc(C2CC2)n1C)C[C@@H]1CCCCO1 ZINC000170958223 528156502 /nfs/dbraw/zinc/15/65/02/528156502.db2.gz ZUJQDAWENURTOO-AWEZNQCLSA-N 1 2 292.427 2.474 10 0 CEAELO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1ccccc1 ZINC000070254118 641649584 /nfs/dbraw/zinc/64/95/84/641649584.db2.gz UXDWIUUAJAZCNA-KGLIPLIRSA-N 1 2 255.321 2.407 10 0 CEAELO CON(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000185360743 641969580 /nfs/dbraw/zinc/96/95/80/641969580.db2.gz LAKGQUSVDJBIHS-LLVKDONJSA-N 1 2 274.324 2.136 10 0 CEAELO CCn1cc[nH+]c1CNc1cccc(Cl)c1C(N)=O ZINC000124685191 187148698 /nfs/dbraw/zinc/14/86/98/187148698.db2.gz UKMNBANXGAMTON-UHFFFAOYSA-N 1 2 278.743 2.267 10 0 CEAELO Cc1cccc(C(N)=O)c1NCc1[nH+]ccn1C(C)C ZINC000124721795 187150575 /nfs/dbraw/zinc/15/05/75/187150575.db2.gz XOWBSZZNYSKNIT-UHFFFAOYSA-N 1 2 272.352 2.483 10 0 CEAELO CCOC(=O)C1CCN(c2cccc3[nH+]c[nH]c32)CC1 ZINC000033886363 361784833 /nfs/dbraw/zinc/78/48/33/361784833.db2.gz ISGFHNSENRQSKV-UHFFFAOYSA-N 1 2 273.336 2.342 10 0 CEAELO CCOc1cc([C@H]2C[N@H+](C)CCC2=O)ccc1OC ZINC000090216309 344139251 /nfs/dbraw/zinc/13/92/51/344139251.db2.gz GSXQQALDBDMONK-GFCCVEGCSA-N 1 2 263.337 2.082 10 0 CEAELO CCOc1cc([C@H]2C[N@@H+](C)CCC2=O)ccc1OC ZINC000090216309 344139252 /nfs/dbraw/zinc/13/92/52/344139252.db2.gz GSXQQALDBDMONK-GFCCVEGCSA-N 1 2 263.337 2.082 10 0 CEAELO O=c1[nH]cccc1-c1ccc2c(c1)-c1[nH+]ccn1CCO2 ZINC000116314838 344286200 /nfs/dbraw/zinc/28/62/00/344286200.db2.gz HEWVHWIMKAYTKE-UHFFFAOYSA-N 1 2 279.299 2.298 10 0 CEAELO C[C@@H](Nc1cc(Br)ncn1)c1[nH]cc[nH+]1 ZINC000229338430 344566240 /nfs/dbraw/zinc/56/62/40/344566240.db2.gz KKKRYFNKTHNXAI-ZCFIWIBFSA-N 1 2 268.118 2.135 10 0 CEAELO C[C@H](Nc1nc[nH+]c(N)c1Br)C1CC1 ZINC000235560094 344591705 /nfs/dbraw/zinc/59/17/05/344591705.db2.gz VPBHWWXNGPPIPC-YFKPBYRVSA-N 1 2 257.135 2.032 10 0 CEAELO C[C@H](Nc1[nH+]cnc(N)c1Br)C1CC1 ZINC000235560094 344591706 /nfs/dbraw/zinc/59/17/06/344591706.db2.gz VPBHWWXNGPPIPC-YFKPBYRVSA-N 1 2 257.135 2.032 10 0 CEAELO Cc1cc[nH+]c(NCc2cn[nH]c2)c1Br ZINC000235940309 344593705 /nfs/dbraw/zinc/59/37/05/344593705.db2.gz XQEFAEDDXZCLRA-UHFFFAOYSA-N 1 2 267.130 2.488 10 0 CEAELO Cc1cc(N[C@@H]2CCc3cc(N)ccc32)c(C#N)c[nH+]1 ZINC000399117349 344856857 /nfs/dbraw/zinc/85/68/57/344856857.db2.gz NICFRBDGDAVLGY-OAHLLOKOSA-N 1 2 264.332 2.365 10 0 CEAELO C[C@H](NC(=O)Cc1cc[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175050955 232303790 /nfs/dbraw/zinc/30/37/90/232303790.db2.gz UITMSGCDEXZISO-LBPRGKRZSA-N 1 2 295.346 2.015 10 0 CEAELO CC[C@](C)([C@@H](NN)c1ccc(F)c(C)c1)[NH+]1CCOCC1 ZINC000097585731 185631734 /nfs/dbraw/zinc/63/17/34/185631734.db2.gz FHWDPPGNDSJKGG-JKSUJKDBSA-N 1 2 295.402 2.139 10 0 CEAELO CCc1nnc([C@H]2C[N@H+](Cc3ccc(C)s3)CCO2)[nH]1 ZINC000129126824 365827597 /nfs/dbraw/zinc/82/75/97/365827597.db2.gz GXIJXXSTQBBBNZ-GFCCVEGCSA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nnc([C@H]2C[N@@H+](Cc3ccc(C)s3)CCO2)[nH]1 ZINC000129126824 365827602 /nfs/dbraw/zinc/82/76/02/365827602.db2.gz GXIJXXSTQBBBNZ-GFCCVEGCSA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nc([C@H]2C[N@H+](Cc3ccc(C)s3)CCO2)n[nH]1 ZINC000129126824 365827609 /nfs/dbraw/zinc/82/76/09/365827609.db2.gz GXIJXXSTQBBBNZ-GFCCVEGCSA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nc([C@H]2C[N@@H+](Cc3ccc(C)s3)CCO2)n[nH]1 ZINC000129126824 365827614 /nfs/dbraw/zinc/82/76/14/365827614.db2.gz GXIJXXSTQBBBNZ-GFCCVEGCSA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nnc([C@@H]2C[N@H+](Cc3cccs3)CCO2)[nH]1 ZINC000129208352 365837223 /nfs/dbraw/zinc/83/72/23/365837223.db2.gz MLOSCRQGVNYSHC-NSHDSACASA-N 1 2 278.381 2.002 10 0 CEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3cccs3)CCO2)[nH]1 ZINC000129208352 365837230 /nfs/dbraw/zinc/83/72/30/365837230.db2.gz MLOSCRQGVNYSHC-NSHDSACASA-N 1 2 278.381 2.002 10 0 CEAELO [NH3+][C@]1(c2nc(Cc3c(F)cccc3Cl)no2)CCOC1 ZINC000085852238 179188811 /nfs/dbraw/zinc/18/88/11/179188811.db2.gz WYZCIYOGSGEUNX-CYBMUJFWSA-N 1 2 297.717 2.027 10 0 CEAELO COc1cc([NH2+]C[C@@H]2CCCC[C@H]2O)ccc1N ZINC000085966567 179206181 /nfs/dbraw/zinc/20/61/81/179206181.db2.gz OQTKQFWDBVKRME-GXFFZTMASA-N 1 2 250.342 2.240 10 0 CEAELO Cc1cc(Cl)cc(C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000130118784 365925286 /nfs/dbraw/zinc/92/52/86/365925286.db2.gz BDEUJFQOXZZJSC-LBPRGKRZSA-N 1 2 296.798 2.099 10 0 CEAELO COC[C@@H](Nc1[nH+]c(C)ccc1C(N)=S)C(C)C ZINC000086701709 179321550 /nfs/dbraw/zinc/32/15/50/179321550.db2.gz QNQUZWKFVWVJDY-LLVKDONJSA-N 1 2 267.398 2.107 10 0 CEAELO COCC[NH2+][C@@]1(C(=O)OC)CCC[C@@H](C(C)C)CC1 ZINC000086950129 179368821 /nfs/dbraw/zinc/36/88/21/179368821.db2.gz SEZUWYJDGXNYBX-HIFRSBDPSA-N 1 2 271.401 2.371 10 0 CEAELO Brc1ccc2oc([C@@H]3COCC[NH2+]3)nc2c1 ZINC000087049437 179389022 /nfs/dbraw/zinc/38/90/22/179389022.db2.gz IMMGQRXNOYBSAM-VIFPVBQESA-N 1 2 283.125 2.251 10 0 CEAELO CCOC(=O)N1CCC[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616626823 348539502 /nfs/dbraw/zinc/53/95/02/348539502.db2.gz FQXFBJATZSZTRD-LLVKDONJSA-N 1 2 263.341 2.220 10 0 CEAELO NC(=O)c1ccccc1[C@@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000616639045 348543069 /nfs/dbraw/zinc/54/30/69/348543069.db2.gz LVNQAAKICNEZKN-KRWDZBQOSA-N 1 2 296.370 2.359 10 0 CEAELO NC(=O)c1ccccc1[C@@H]1COCC[N@H+]1Cc1ccccc1 ZINC000616639045 348543074 /nfs/dbraw/zinc/54/30/74/348543074.db2.gz LVNQAAKICNEZKN-KRWDZBQOSA-N 1 2 296.370 2.359 10 0 CEAELO CC(=O)N1c2ccccc2NC[C@H]1c1ccc(N)[nH+]c1 ZINC000616684518 348560017 /nfs/dbraw/zinc/56/00/17/348560017.db2.gz ULUOTVGURSQNRK-AWEZNQCLSA-N 1 2 268.320 2.014 10 0 CEAELO Cc1nnsc1-c1nnc([C@H]([NH3+])c2ccccc2)s1 ZINC000088811083 179676352 /nfs/dbraw/zinc/67/63/52/179676352.db2.gz BLBRGBOJVTYTLR-SECBINFHSA-N 1 2 289.389 2.413 10 0 CEAELO Cn1c[nH+]cc1[C@@H](CO)Nc1ccc(Br)cc1 ZINC000090169394 179925345 /nfs/dbraw/zinc/92/53/45/179925345.db2.gz AMULHGXNKVNFBQ-LLVKDONJSA-N 1 2 296.168 2.328 10 0 CEAELO CCn1c[nH+]cc1[C@@H](O)Cc1ccncc1Cl ZINC000090203464 179930653 /nfs/dbraw/zinc/93/06/53/179930653.db2.gz SFOBQECAZKTWSI-LBPRGKRZSA-N 1 2 251.717 2.228 10 0 CEAELO CC[NH2+][C@](C)(CCO[C@@H](C)C(F)(F)F)C(=O)OCC ZINC000090674229 180021511 /nfs/dbraw/zinc/02/15/11/180021511.db2.gz ISMAGTCBSOXALN-GXSJLCMTSA-N 1 2 285.306 2.275 10 0 CEAELO COC(=O)c1cc(NCc2cc(N)ccc2OC)cc[nH+]1 ZINC000090739504 180035234 /nfs/dbraw/zinc/03/52/34/180035234.db2.gz YJOHWMUXYUWOAE-UHFFFAOYSA-N 1 2 287.319 2.071 10 0 CEAELO CCOC(=O)[C@@](C)(CCSC[C@@H](C)CO)[NH2+]C(C)C ZINC000091259049 180115529 /nfs/dbraw/zinc/11/55/29/180115529.db2.gz GVUKNZJCELIZHV-GXTWGEPZSA-N 1 2 291.457 2.058 10 0 CEAELO Cc1cc(C(N)=O)ccc1NCc1c[nH+]cn1C1CC1 ZINC000091274822 180118728 /nfs/dbraw/zinc/11/87/28/180118728.db2.gz HVEYMFNXKYGDKL-UHFFFAOYSA-N 1 2 270.336 2.237 10 0 CEAELO Cc1nn(Cc2c[nH+]cn2C2CC2)c(N)c1Br ZINC000091276142 180118775 /nfs/dbraw/zinc/11/87/75/180118775.db2.gz FRATVNFYKRIISW-UHFFFAOYSA-N 1 2 296.172 2.116 10 0 CEAELO CCOC(=O)[C@H](N[C@@H](C)CC)c1c[nH+]cn1C1CC1 ZINC000091276971 180119795 /nfs/dbraw/zinc/11/97/95/180119795.db2.gz DYMUGPFSRFEGDA-GXFFZTMASA-N 1 2 265.357 2.210 10 0 CEAELO O[C@@H](c1c[nH+]cn1C1CC1)[C@@H]1Cc2ccccc2N1 ZINC000091277337 180120356 /nfs/dbraw/zinc/12/03/56/180120356.db2.gz GOTKKUWMPKSVKI-DZGCQCFKSA-N 1 2 255.321 2.288 10 0 CEAELO OCC1C[NH+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000091487477 180167739 /nfs/dbraw/zinc/16/77/39/180167739.db2.gz ANRDIQRZKWPGOV-UHFFFAOYSA-N 1 2 277.698 2.366 10 0 CEAELO CC(C)([C@@H](O)c1ccccc1Cl)[NH+]1CCOCC1 ZINC000091565785 180193317 /nfs/dbraw/zinc/19/33/17/180193317.db2.gz AFUXPDHOYUBHNG-ZDUSSCGKSA-N 1 2 269.772 2.484 10 0 CEAELO Cc1ccc(F)c([C@@H](O)C(C)(C)[NH+]2CCOCC2)c1 ZINC000091565889 180193915 /nfs/dbraw/zinc/19/39/15/180193915.db2.gz UVCOMNRHCYWERS-CQSZACIVSA-N 1 2 267.344 2.278 10 0 CEAELO CCc1cccc(C)c1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105280872 186049945 /nfs/dbraw/zinc/04/99/45/186049945.db2.gz NKOTVMZRMAIVRI-CQSZACIVSA-N 1 2 291.395 2.010 10 0 CEAELO CCc1cccc(C)c1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105280872 186049946 /nfs/dbraw/zinc/04/99/46/186049946.db2.gz NKOTVMZRMAIVRI-CQSZACIVSA-N 1 2 291.395 2.010 10 0 CEAELO C[NH+](C)Cc1noc(-c2c(N)cccc2Cl)n1 ZINC000091685418 180225984 /nfs/dbraw/zinc/22/59/84/180225984.db2.gz IEQSKIYUVFOOBD-UHFFFAOYSA-N 1 2 252.705 2.034 10 0 CEAELO C[N@@H+]1CCO[C@@H](C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000091688582 180227028 /nfs/dbraw/zinc/22/70/28/180227028.db2.gz SUFWBPDGWCQOAU-CYBMUJFWSA-N 1 2 288.174 2.436 10 0 CEAELO C[N@H+]1CCO[C@@H](C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000091688582 180227030 /nfs/dbraw/zinc/22/70/30/180227030.db2.gz SUFWBPDGWCQOAU-CYBMUJFWSA-N 1 2 288.174 2.436 10 0 CEAELO C[NH+](C)Cc1noc(-c2ccc(Cl)cc2O)n1 ZINC000091747876 180245383 /nfs/dbraw/zinc/24/53/83/180245383.db2.gz XYAOQKWNUVOZJK-UHFFFAOYSA-N 1 2 253.689 2.157 10 0 CEAELO COC(=O)[C@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275142 180356475 /nfs/dbraw/zinc/35/64/75/180356475.db2.gz KCZHGHYXFHOFIE-VHSXEESVSA-N 1 2 251.351 2.027 10 0 CEAELO C/C=C/C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000106086910 186101286 /nfs/dbraw/zinc/10/12/86/186101286.db2.gz SYOGPOVNNKLVKA-RRFAQUSLSA-N 1 2 255.321 2.202 10 0 CEAELO Cc1cc(NC(=O)[C@@H]2Cc3ccccc3N2)cc[nH+]1 ZINC000092349725 180367676 /nfs/dbraw/zinc/36/76/76/180367676.db2.gz PJNVJRUTMURXOH-AWEZNQCLSA-N 1 2 253.305 2.365 10 0 CEAELO Cc1cc(NS(=O)(=O)c2cc(N)c(C)cc2F)cc[nH+]1 ZINC000092348768 180367739 /nfs/dbraw/zinc/36/77/39/180367739.db2.gz MWSPXJSVMFJYOU-UHFFFAOYSA-N 1 2 295.339 2.221 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)OC(C)(C)C)C2 ZINC000106387217 186113682 /nfs/dbraw/zinc/11/36/82/186113682.db2.gz VDCHTHNLGNESNE-UHFFFAOYSA-N 1 2 293.411 2.243 10 0 CEAELO Cn1cc[nH+]c1CCn1c(=S)[nH]c2cnccc21 ZINC000092514533 180399524 /nfs/dbraw/zinc/39/95/24/180399524.db2.gz UGRPNFDWWGZLMT-UHFFFAOYSA-N 1 2 259.338 2.070 10 0 CEAELO Cc1c(-n2cnnn2)ccc2cc(C(C)(C)C)c(N)[nH+]c12 ZINC000109607799 186268021 /nfs/dbraw/zinc/26/80/21/186268021.db2.gz QHBSDUNFIWUWEE-UHFFFAOYSA-N 1 2 282.351 2.399 10 0 CEAELO CCc1[nH+]c(-c2ccc(OC)c(O)c2)nc(N)c1C ZINC000110468042 186298216 /nfs/dbraw/zinc/29/82/16/186298216.db2.gz CKXQWVRSEWOEKA-UHFFFAOYSA-N 1 2 259.309 2.311 10 0 CEAELO CCc1[nH+]c(-c2ccc3c(c2)OCCO3)nc(N)c1C ZINC000110477304 186299307 /nfs/dbraw/zinc/29/93/07/186299307.db2.gz UCBAFGVJESWBEV-UHFFFAOYSA-N 1 2 271.320 2.368 10 0 CEAELO COc1cc(N[C@H](C)Cn2cc[nH+]c2)c(N)cc1F ZINC000110626918 186307083 /nfs/dbraw/zinc/30/70/83/186307083.db2.gz BSNLFDCLZBKCTC-SECBINFHSA-N 1 2 264.304 2.114 10 0 CEAELO Nc1cc(F)c(OC(F)F)cc1N1CCn2cc[nH+]c2C1 ZINC000110641370 186307295 /nfs/dbraw/zinc/30/72/95/186307295.db2.gz VQCFYDUUZSHGMV-UHFFFAOYSA-N 1 2 298.268 2.226 10 0 CEAELO CCc1nc([C@@H]([NH3+])c2ccc(OC)c(OC)c2Cl)no1 ZINC000110831223 186327979 /nfs/dbraw/zinc/32/79/79/186327979.db2.gz JQKCNLFXGJGDCG-NSHDSACASA-N 1 2 297.742 2.351 10 0 CEAELO CCOc1cc(N(C)Cc2[nH+]ccn2C)ccc1N ZINC000111056127 186349193 /nfs/dbraw/zinc/34/91/93/186349193.db2.gz NIRWANOMYYTAKY-UHFFFAOYSA-N 1 2 260.341 2.037 10 0 CEAELO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000130893151 366001670 /nfs/dbraw/zinc/00/16/70/366001670.db2.gz IOYQPNPBGOINLN-KBPBESRZSA-N 1 2 261.369 2.216 10 0 CEAELO COc1nc2sccn2c1C[NH2+]Cc1cscn1 ZINC000111625516 186433687 /nfs/dbraw/zinc/43/36/87/186433687.db2.gz KDXMDDHVIJOZND-UHFFFAOYSA-N 1 2 280.378 2.151 10 0 CEAELO Cc1ccc(CCC(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000074785178 363390620 /nfs/dbraw/zinc/39/06/20/363390620.db2.gz YWKSGMAMZNZVMK-UHFFFAOYSA-N 1 2 269.348 2.167 10 0 CEAELO CCc1ncc2c(n1)CN(c1[nH]c3ccccc3[nH+]1)CC2 ZINC000134961687 366378944 /nfs/dbraw/zinc/37/89/44/366378944.db2.gz VQQAHIFJCKGQKD-UHFFFAOYSA-N 1 2 279.347 2.478 10 0 CEAELO Cc1ccc([C@@H](CNC(=O)C(C)C)[NH+]2CCOCC2)s1 ZINC000176560570 189000184 /nfs/dbraw/zinc/00/01/84/189000184.db2.gz WEYVZOKWMYALPI-CYBMUJFWSA-N 1 2 296.436 2.202 10 0 CEAELO Cc1ccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(C)[nH+]1 ZINC000176774914 189008652 /nfs/dbraw/zinc/00/86/52/189008652.db2.gz KFZKAYXFWQNEFZ-CYBMUJFWSA-N 1 2 299.378 2.453 10 0 CEAELO O=C(CCC1CCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177787709 189069478 /nfs/dbraw/zinc/06/94/78/189069478.db2.gz CUUSIBQRJFAYLS-CQSZACIVSA-N 1 2 261.369 2.454 10 0 CEAELO O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177812130 189071316 /nfs/dbraw/zinc/07/13/16/189071316.db2.gz LYAZPCAOVLDKTH-UONOGXRCSA-N 1 2 259.353 2.230 10 0 CEAELO CCOC(=O)CC(=O)CSCc1[nH+]ccn1C(C)C ZINC000179388510 189190461 /nfs/dbraw/zinc/19/04/61/189190461.db2.gz OGAPRWYGXKHQQE-UHFFFAOYSA-N 1 2 284.381 2.220 10 0 CEAELO CCc1nnc(C[N@H+](C)C[C@@H](C)c2nccs2)n1C ZINC000183998765 189374161 /nfs/dbraw/zinc/37/41/61/189374161.db2.gz QQDUMFNKVRCRGR-SNVBAGLBSA-N 1 2 279.413 2.070 10 0 CEAELO CCc1nnc(C[N@@H+](C)C[C@@H](C)c2nccs2)n1C ZINC000183998765 189374162 /nfs/dbraw/zinc/37/41/62/189374162.db2.gz QQDUMFNKVRCRGR-SNVBAGLBSA-N 1 2 279.413 2.070 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@](=O)c1cccc(O)c1 ZINC000184038450 189375069 /nfs/dbraw/zinc/37/50/69/189375069.db2.gz ILOWUNPBXFNRME-SFHVURJKSA-N 1 2 264.350 2.477 10 0 CEAELO 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Cc1nc(NCC2CC(O)C2)c(Br)c(C)[nH+]1 ZINC000322768378 376832373 /nfs/dbraw/zinc/83/23/73/376832373.db2.gz DXLKGHIIISQPSK-UHFFFAOYSA-N 1 2 286.173 2.039 10 0 CEAELO Cc1ccc([C@H](C)[NH2+]Cc2nccc(N)n2)cc1F ZINC000181360568 542273422 /nfs/dbraw/zinc/27/34/22/542273422.db2.gz YPPGXIJMQMRTFH-JTQLQIEISA-N 1 2 260.316 2.357 10 0 CEAELO Cc1cc2[nH+]cn(Cc3c[nH]c(=NN)s3)c2cc1C ZINC000094194628 184761862 /nfs/dbraw/zinc/76/18/62/184761862.db2.gz XVRYYMBIXXOEMU-UHFFFAOYSA-N 1 2 273.365 2.444 10 0 CEAELO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2[nH+]cccc2O)C1 ZINC000095087780 184939419 /nfs/dbraw/zinc/93/94/19/184939419.db2.gz FWWFKPCOVSNOOI-NSHDSACASA-N 1 2 293.367 2.138 10 0 CEAELO C[C@@H]1CC[C@@H](C)N(c2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000088710934 135056433 /nfs/dbraw/zinc/05/64/33/135056433.db2.gz YJYJZUPGGWKPFB-NXEZZACHSA-N 1 2 292.774 2.336 10 0 CEAELO Cc1nc(C[NH+]2CCN(c3cccc(N)c3)CC2)cs1 ZINC000089234580 135058777 /nfs/dbraw/zinc/05/87/77/135058777.db2.gz WFRFZIYLGUYSKF-UHFFFAOYSA-N 1 2 288.420 2.356 10 0 CEAELO C[C@H]1C(=O)CC[N@H+](c2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000093035274 135078400 /nfs/dbraw/zinc/07/84/00/135078400.db2.gz JDTMGORYGCOZCE-KGLIPLIRSA-N 1 2 288.391 2.327 10 0 CEAELO C[C@H]1C(=O)CC[N@@H+](c2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000093035274 135078401 /nfs/dbraw/zinc/07/84/01/135078401.db2.gz JDTMGORYGCOZCE-KGLIPLIRSA-N 1 2 288.391 2.327 10 0 CEAELO Nc1[nH+]cnc(N2CC[C@H]3CCCC[C@@H]32)c1Cl ZINC000227849070 394474187 /nfs/dbraw/zinc/47/41/87/394474187.db2.gz GVKLXKFJAMBKBR-BDAKNGLRSA-N 1 2 252.749 2.481 10 0 CEAELO Nc1nc[nH+]c(N2CC[C@H]3CCCC[C@@H]32)c1Cl ZINC000227849070 394474191 /nfs/dbraw/zinc/47/41/91/394474191.db2.gz GVKLXKFJAMBKBR-BDAKNGLRSA-N 1 2 252.749 2.481 10 0 CEAELO CN(C)c1[nH+]cccc1NC(=O)NCc1ccccc1 ZINC000307002904 394519697 /nfs/dbraw/zinc/51/96/97/394519697.db2.gz CRJSXKSNGIGAMM-UHFFFAOYSA-N 1 2 270.336 2.469 10 0 CEAELO C[C@@H](CCC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000131810803 394919474 /nfs/dbraw/zinc/91/94/74/394919474.db2.gz WDVWWSZBYYBRMU-HOCLYGCPSA-N 1 2 290.407 2.017 10 0 CEAELO C[C@@H](CCC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000131810803 394919478 /nfs/dbraw/zinc/91/94/78/394919478.db2.gz WDVWWSZBYYBRMU-HOCLYGCPSA-N 1 2 290.407 2.017 10 0 CEAELO COc1cccc(C[NH2+][C@H]2CCCn3ncnc32)c1F ZINC000192693623 153216329 /nfs/dbraw/zinc/21/63/29/153216329.db2.gz SUHLYZOHULFPNA-NSHDSACASA-N 1 2 276.315 2.051 10 0 CEAELO CCCN(CCC)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505957 153291396 /nfs/dbraw/zinc/29/13/96/153291396.db2.gz FITQWBSTTMUEQO-UHFFFAOYSA-N 1 2 292.427 2.238 10 0 CEAELO CC(C)(C)OCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521900 153291573 /nfs/dbraw/zinc/29/15/73/153291573.db2.gz GNUQJGLDVOSTEY-NSHDSACASA-N 1 2 270.398 2.332 10 0 CEAELO CC(C)(C)OCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521900 153291579 /nfs/dbraw/zinc/29/15/79/153291579.db2.gz GNUQJGLDVOSTEY-NSHDSACASA-N 1 2 270.398 2.332 10 0 CEAELO CCc1ccc(C[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173681191 165077729 /nfs/dbraw/zinc/07/77/29/165077729.db2.gz 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/nfs/dbraw/zinc/18/16/00/165181600.db2.gz AYQYTGVWCYRVGB-UHFFFAOYSA-N 1 2 294.376 2.447 10 0 CEAELO O=C(c1cccc2cn[nH]c21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177757356 165205809 /nfs/dbraw/zinc/20/58/09/165205809.db2.gz VPBBBPJKWXCFRY-CYBMUJFWSA-N 1 2 295.346 2.064 10 0 CEAELO O=C(c1cccc2c[nH]nc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177757356 165205812 /nfs/dbraw/zinc/20/58/12/165205812.db2.gz VPBBBPJKWXCFRY-CYBMUJFWSA-N 1 2 295.346 2.064 10 0 CEAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)OCC(C)C ZINC000181453111 165343776 /nfs/dbraw/zinc/34/37/76/165343776.db2.gz NCNZXZJBGSHDDO-CQSZACIVSA-N 1 2 293.411 2.373 10 0 CEAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)OCC(C)C ZINC000181453111 165343780 /nfs/dbraw/zinc/34/37/80/165343780.db2.gz NCNZXZJBGSHDDO-CQSZACIVSA-N 1 2 293.411 2.373 10 0 CEAELO CCOC(=O)[C@@](C)([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037514917 173246523 /nfs/dbraw/zinc/24/65/23/173246523.db2.gz CKRJEIAAUAHPSP-NSHDSACASA-N 1 2 277.242 2.322 10 0 CEAELO CCOC(=O)[C@](C)([NH3+])c1cccc(OC(F)F)c1 ZINC000037514866 173246796 /nfs/dbraw/zinc/24/67/96/173246796.db2.gz SAHAAURABKWIOL-GFCCVEGCSA-N 1 2 259.252 2.025 10 0 CEAELO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccc2c(c1)CCO2 ZINC000038067323 174078849 /nfs/dbraw/zinc/07/88/49/174078849.db2.gz DFGBLDMUMMNJOS-IINYFYTJSA-N 1 2 263.337 2.224 10 0 CEAELO Nc1[nH+]cnc(Nc2ccccc2Br)c1N ZINC000040723905 174386102 /nfs/dbraw/zinc/38/61/02/174386102.db2.gz YOAWYPRWDBCYCG-UHFFFAOYSA-N 1 2 280.129 2.147 10 0 CEAELO CCN[C@@H](C[N@H+](C)CC)c1ccc(OC)cc1OC ZINC000043820283 175113598 /nfs/dbraw/zinc/11/35/98/175113598.db2.gz QPUYKXXWSBSWIF-AWEZNQCLSA-N 1 2 266.385 2.306 10 0 CEAELO CCN[C@@H](C[N@@H+](C)CC)c1ccc(OC)cc1OC ZINC000043820283 175113600 /nfs/dbraw/zinc/11/36/00/175113600.db2.gz QPUYKXXWSBSWIF-AWEZNQCLSA-N 1 2 266.385 2.306 10 0 CEAELO CCOC(=O)[C@@](C)(CCN1c2ccccc2C[C@@H]1C)[NH2+]C ZINC000045222694 175330778 /nfs/dbraw/zinc/33/07/78/175330778.db2.gz WKGJUZPZVYMWRB-SUMWQHHRSA-N 1 2 290.407 2.369 10 0 CEAELO CC(C)[NH2+][C@](C)(C[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223629 175331198 /nfs/dbraw/zinc/33/11/98/175331198.db2.gz HDUBHVWGTHMCAP-CQSZACIVSA-N 1 2 256.390 2.094 10 0 CEAELO CC[NH2+][C@](C)(CCN1CCc2ccccc21)C(=O)OCC ZINC000045224338 175331914 /nfs/dbraw/zinc/33/19/14/175331914.db2.gz UEWWNUWEALBFES-QGZVFWFLSA-N 1 2 290.407 2.371 10 0 CEAELO CCC(CC)C[N@H+](CC)C[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045277758 175347532 /nfs/dbraw/zinc/34/75/32/175347532.db2.gz FQWMZKJKBVWKPX-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CCC(CC)C[N@@H+](CC)C[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045277758 175347533 /nfs/dbraw/zinc/34/75/33/175347533.db2.gz FQWMZKJKBVWKPX-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO O=[S@]1CC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000070674384 176000636 /nfs/dbraw/zinc/00/06/36/176000636.db2.gz IVPXHWAAWVXZOX-ZUZCIYMTSA-N 1 2 264.177 2.386 10 0 CEAELO CCOC(=O)c1[nH+]c(C)n([C@H]2CCC[C@H]2C)c1N ZINC000071209296 176081710 /nfs/dbraw/zinc/08/17/10/176081710.db2.gz IOTSBFCSKVHYKO-SCZZXKLOSA-N 1 2 251.330 2.312 10 0 CEAELO CC(C)Nc1ccccc1C(=O)NCc1[nH+]ccn1C ZINC000071276467 176107121 /nfs/dbraw/zinc/10/71/21/176107121.db2.gz VDLBHEGIMSXYJT-UHFFFAOYSA-N 1 2 272.352 2.170 10 0 CEAELO CCNc1[nH+]cccc1Cn1c(C)c(C)sc1=O ZINC000071351862 176134909 /nfs/dbraw/zinc/13/49/09/176134909.db2.gz LDSSNALHLSPYKS-UHFFFAOYSA-N 1 2 263.366 2.402 10 0 CEAELO CCOC(=O)[C@@](C)([NH2+]CCOC)C1CCCCC1 ZINC000071399913 176152206 /nfs/dbraw/zinc/15/22/06/176152206.db2.gz YWGXMZAVTOTMJE-AWEZNQCLSA-N 1 2 257.374 2.125 10 0 CEAELO Cc1ccn2cc(CCNC(=O)c3ccncc3)[nH+]c2c1 ZINC000071490320 176190261 /nfs/dbraw/zinc/19/02/61/176190261.db2.gz ODSNBCAOMPGQLB-UHFFFAOYSA-N 1 2 280.331 2.010 10 0 CEAELO CCOC(=O)Cc1cn2cc(C(F)(F)F)ccc2[nH+]1 ZINC000071571319 176197486 /nfs/dbraw/zinc/19/74/86/176197486.db2.gz ILPCIUCABJONPE-UHFFFAOYSA-N 1 2 272.226 2.459 10 0 CEAELO Cc1cc(NC(=O)c2cccn3ccnc23)cc[nH+]1 ZINC000074749891 176607988 /nfs/dbraw/zinc/60/79/88/176607988.db2.gz ROUKUZCESXSWJD-UHFFFAOYSA-N 1 2 252.277 2.290 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1csc2c1CCCC2 ZINC000078742468 177380510 /nfs/dbraw/zinc/38/05/10/177380510.db2.gz KANPTNLTDIXZSH-UHFFFAOYSA-N 1 2 275.377 2.323 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1csc2c1CCCC2 ZINC000078742468 177380512 /nfs/dbraw/zinc/38/05/12/177380512.db2.gz KANPTNLTDIXZSH-UHFFFAOYSA-N 1 2 275.377 2.323 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1coc2ccccc12 ZINC000078742293 177380597 /nfs/dbraw/zinc/38/05/97/177380597.db2.gz KRKIRYAGLTXPCI-UHFFFAOYSA-N 1 2 255.277 2.128 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1coc2ccccc12 ZINC000078742293 177380599 /nfs/dbraw/zinc/38/05/99/177380599.db2.gz KRKIRYAGLTXPCI-UHFFFAOYSA-N 1 2 255.277 2.128 10 0 CEAELO COc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc2c1OCCO2 ZINC000126946771 277377444 /nfs/dbraw/zinc/37/74/44/277377444.db2.gz IHVGYVVCSFHEEU-RYUDHWBXSA-N 1 2 293.363 2.076 10 0 CEAELO COC(=O)[C@@H]1CCCC[N@@H+]1CCc1ccccc1F ZINC000137566007 280069046 /nfs/dbraw/zinc/06/90/46/280069046.db2.gz MYWSEHDUSFTQFY-AWEZNQCLSA-N 1 2 265.328 2.396 10 0 CEAELO COC(=O)[C@@H]1CCCC[N@H+]1CCc1ccccc1F ZINC000137566007 280069050 /nfs/dbraw/zinc/06/90/50/280069050.db2.gz MYWSEHDUSFTQFY-AWEZNQCLSA-N 1 2 265.328 2.396 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000247030647 297152360 /nfs/dbraw/zinc/15/23/60/297152360.db2.gz PFKPSWLKMPMZFR-QKPAOTATSA-N 1 2 294.439 2.277 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000247030647 297152361 /nfs/dbraw/zinc/15/23/61/297152361.db2.gz PFKPSWLKMPMZFR-QKPAOTATSA-N 1 2 294.439 2.277 10 0 CEAELO CC(C)[NH2+][C@@](C[NH+]1[C@@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096113 519737631 /nfs/dbraw/zinc/73/76/31/519737631.db2.gz MIDOYYBXCCAGHZ-HEHGZKQESA-N 1 2 282.428 2.481 10 0 CEAELO CCC[NH2+][C@@](C)(CSc1ccccn1)C(=O)OCC ZINC000045582234 520039015 /nfs/dbraw/zinc/03/90/15/520039015.db2.gz FJGTWJWETYWUQO-AWEZNQCLSA-N 1 2 282.409 2.495 10 0 CEAELO CC[NH2+][C@@](C)(COCCCC(C)C)C(=O)OCC ZINC000045474795 520136827 /nfs/dbraw/zinc/13/68/27/520136827.db2.gz UDEMCXINLBVBJJ-AWEZNQCLSA-N 1 2 259.390 2.371 10 0 CEAELO CC[NH2+][C@H](CCSCc1ccco1)C(=O)OCC ZINC000062596462 520194155 /nfs/dbraw/zinc/19/41/55/520194155.db2.gz FDXODEGOTTXXQU-GFCCVEGCSA-N 1 2 271.382 2.444 10 0 CEAELO CC[NH2+][C@H](CCSc1cccc(OC)c1)C(=O)OC ZINC000062598533 520195335 /nfs/dbraw/zinc/19/53/35/520195335.db2.gz HZNGAARGCRIFSC-CYBMUJFWSA-N 1 2 283.393 2.329 10 0 CEAELO CCOC(=O)[C@@H](CCOc1cc(C)cc(C)c1)[NH2+]C ZINC000062549575 521060804 /nfs/dbraw/zinc/06/08/04/521060804.db2.gz LMNVTTLDTQXAIM-CQSZACIVSA-N 1 2 265.353 2.223 10 0 CEAELO COC(=O)c1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000411129011 533804660 /nfs/dbraw/zinc/80/46/60/533804660.db2.gz SMQVWKSBPHMHIZ-UWVGGRQHSA-N 1 2 269.366 2.144 10 0 CEAELO CC(C)CCN1N=C(C(C)(C)C)[C@H](CC[NH3+])C1=O ZINC000069506689 519654278 /nfs/dbraw/zinc/65/42/78/519654278.db2.gz XXSYLNYDOFNZRH-NSHDSACASA-N 1 2 253.390 2.242 10 0 CEAELO CC(C)CCn1[nH]c(C(C)(C)C)c(CC[NH3+])c1=O ZINC000069506689 519654279 /nfs/dbraw/zinc/65/42/79/519654279.db2.gz XXSYLNYDOFNZRH-NSHDSACASA-N 1 2 253.390 2.242 10 0 CEAELO CCC[NH+]1CCC(Nc2ccc([NH3+])cc2C(=O)[O-])CC1 ZINC000049561979 519847241 /nfs/dbraw/zinc/84/72/41/519847241.db2.gz SABURUAQVFIZFH-UHFFFAOYSA-N 1 2 277.368 2.253 10 0 CEAELO CCC[NH2+][C@@](COCCC)(C(=O)OCC)C1CC1 ZINC000069198032 520055708 /nfs/dbraw/zinc/05/57/08/520055708.db2.gz PXPAGFNNBMTHHU-CQSZACIVSA-N 1 2 257.374 2.125 10 0 CEAELO CCC[NH2+][C@H](CCOCCCC(C)C)C(=O)OC ZINC000062543095 520077760 /nfs/dbraw/zinc/07/77/60/520077760.db2.gz XDDGWWRKEIESQN-CYBMUJFWSA-N 1 2 259.390 2.371 10 0 CEAELO CCC[NH2+][C@H](CCOc1cccc(OCC)c1)C(=O)OC ZINC000062595858 520078756 /nfs/dbraw/zinc/07/87/56/520078756.db2.gz UWVVYIOIUANCLD-OAHLLOKOSA-N 1 2 295.379 2.395 10 0 CEAELO CC[NH2+][C@@H](CCOc1cccc2cccnc21)C(=O)OC ZINC000062545719 520095772 /nfs/dbraw/zinc/09/57/72/520095772.db2.gz WVPADWBJRDDMHM-ZDUSSCGKSA-N 1 2 288.347 2.155 10 0 CEAELO CC[NH2+][C@@H](CCn1cnc2cc(C)c(C)cc21)C(=O)OC ZINC000062534582 520096468 /nfs/dbraw/zinc/09/64/68/520096468.db2.gz MUTBCTUNWVUCHO-ZDUSSCGKSA-N 1 2 289.379 2.194 10 0 CEAELO CC[NH2+][C@@H](c1nnc([C@@H]2CCOC2)o1)c1ccccc1 ZINC000050618139 520115224 /nfs/dbraw/zinc/11/52/24/520115224.db2.gz ZDVGLJOIOBSTIV-CHWSQXEVSA-N 1 2 273.336 2.272 10 0 CEAELO CC[NH2+][C@@](CO[C@H](C)CC(C)C)(C(=O)OC)C1CC1 ZINC000069196513 520156694 /nfs/dbraw/zinc/15/66/94/520156694.db2.gz UZSREJMZNXASCS-IUODEOHRSA-N 1 2 271.401 2.369 10 0 CEAELO CCCNc1ccc(Cn2c(C)cccc2=O)c[nH+]1 ZINC000050829653 520165670 /nfs/dbraw/zinc/16/56/70/520165670.db2.gz JGVKWIJZJJPKMY-UHFFFAOYSA-N 1 2 257.337 2.422 10 0 CEAELO CC[NH2+][C@H](CCOc1ccc(OC)cc1)C(=O)OCC ZINC000062550596 520192694 /nfs/dbraw/zinc/19/26/94/520192694.db2.gz IGWRIQHGYVGXNE-CQSZACIVSA-N 1 2 281.352 2.005 10 0 CEAELO CC[NH2+][C@H](CCOc1cccc(CC)c1)C(=O)OC ZINC000062545221 520193458 /nfs/dbraw/zinc/19/34/58/520193458.db2.gz YRHKXHGOWLQWQP-CQSZACIVSA-N 1 2 265.353 2.169 10 0 CEAELO CCCNc1[nH+]cccc1CN1C(=O)[C@@H]2[C@H](C1=O)C2(C)C ZINC000068689849 520195878 /nfs/dbraw/zinc/19/58/78/520195878.db2.gz VNGWVYYJJHAFEF-TXEJJXNPSA-N 1 2 287.363 2.045 10 0 CEAELO CCCNc1[nH+]cccc1Cn1c(C)cccc1=O ZINC000052733544 520196828 /nfs/dbraw/zinc/19/68/28/520196828.db2.gz YQQFQQMOPXHVDV-UHFFFAOYSA-N 1 2 257.337 2.422 10 0 CEAELO CC[NH2+][C@](C[N@@H+]1CCC[C@@H]1C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069131997 520247820 /nfs/dbraw/zinc/24/78/20/520247820.db2.gz GLSFQVSLELCJPH-WBVHZDCISA-N 1 2 294.439 2.484 10 0 CEAELO CC[NH2+][C@](C[N@H+]1CCC[C@@H]1C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069131997 520247826 /nfs/dbraw/zinc/24/78/26/520247826.db2.gz GLSFQVSLELCJPH-WBVHZDCISA-N 1 2 294.439 2.484 10 0 CEAELO CC[NH2+][C@](COc1ccccc1OC)(C(=O)OC)C1CC1 ZINC000069197634 520250656 /nfs/dbraw/zinc/25/06/56/520250656.db2.gz OZUJZVDGPDQGEG-INIZCTEOSA-N 1 2 293.363 2.005 10 0 CEAELO CCNc1cc(CSCCC(=O)OC)cc[nH+]1 ZINC000052756401 520272580 /nfs/dbraw/zinc/27/25/80/520272580.db2.gz TZKFPAHAVWYRJQ-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO CCNc1[nH+]cccc1COc1ccc(C(N)=O)cc1 ZINC000052755272 520377588 /nfs/dbraw/zinc/37/75/88/520377588.db2.gz CVJZZPGQEVCRQV-UHFFFAOYSA-N 1 2 271.320 2.191 10 0 CEAELO CCNc1snnc1C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000050816718 520387193 /nfs/dbraw/zinc/38/71/93/520387193.db2.gz ZYFHWHPNECBJKP-JTQLQIEISA-N 1 2 284.429 2.217 10 0 CEAELO CCNc1snnc1C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000050816718 520387200 /nfs/dbraw/zinc/38/72/00/520387200.db2.gz ZYFHWHPNECBJKP-JTQLQIEISA-N 1 2 284.429 2.217 10 0 CEAELO CCOC(=O)C=C(O)C[NH+]1CCC(CC)(CC)CC1 ZINC000068814755 520590028 /nfs/dbraw/zinc/59/00/28/520590028.db2.gz LJRSYTJTDVXGFG-UHFFFAOYSA-N 1 2 269.385 2.411 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+][C@H](CC)c1ccc(O)cc1 ZINC000049368009 521214319 /nfs/dbraw/zinc/21/43/19/521214319.db2.gz IXZHAYHRHNRHNZ-GXFFZTMASA-N 1 2 251.326 2.385 10 0 CEAELO CC[N@H+](C[C@@]([NH2+]C)(C(=O)[O-])C1CC1)C1CCCCC1 ZINC000069091381 521234840 /nfs/dbraw/zinc/23/48/40/521234840.db2.gz ZWWKSXXQPCHOGT-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CC[N@@H+](C[C@@]([NH2+]C)(C(=O)[O-])C1CC1)C1CCCCC1 ZINC000069091381 521234846 /nfs/dbraw/zinc/23/48/46/521234846.db2.gz ZWWKSXXQPCHOGT-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CCOC(=O)[C@H](CCOc1c(C)cccc1C)[NH2+]C ZINC000062547439 521248526 /nfs/dbraw/zinc/24/85/26/521248526.db2.gz WYFWJTUNGMFSND-ZDUSSCGKSA-N 1 2 265.353 2.223 10 0 CEAELO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccnc(NC)c1 ZINC000052722171 521286705 /nfs/dbraw/zinc/28/67/05/521286705.db2.gz PIOMCLQOZTYDGV-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccnc(NC)c1 ZINC000052722171 521286711 /nfs/dbraw/zinc/28/67/11/521286711.db2.gz PIOMCLQOZTYDGV-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO CC[C@@H](C)OC[C@@]([NH2+]C(C)C)(C(=O)OC)C1CC1 ZINC000069198263 522253929 /nfs/dbraw/zinc/25/39/29/522253929.db2.gz OISZMTBVZYGCOX-RISCZKNCSA-N 1 2 257.374 2.121 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)Oc1ccc(OC)cc1)C(=O)OC ZINC000068656850 522415915 /nfs/dbraw/zinc/41/59/15/522415915.db2.gz ZQNZGRZJLRZVFY-ABAIWWIYSA-N 1 2 281.352 2.004 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)Oc1cccc(N(C)C)c1)C(=O)OC ZINC000068652060 522521430 /nfs/dbraw/zinc/52/14/30/522521430.db2.gz IINNDNJTKTVETO-MLGOLLRUSA-N 1 2 294.395 2.061 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)n1ccc(C(F)(F)F)n1)C(=O)OC ZINC000068649328 522523469 /nfs/dbraw/zinc/52/34/69/522523469.db2.gz MXUVASBCCCCNFP-LDYMZIIASA-N 1 2 293.289 2.004 10 0 CEAELO Cn1cc(C[N@H+](C)Cc2cc3ccccc3nc2N)cn1 ZINC000050817248 523514571 /nfs/dbraw/zinc/51/45/71/523514571.db2.gz AAGQQBDYHAMRMJ-UHFFFAOYSA-N 1 2 281.363 2.183 10 0 CEAELO Cn1cc(C[N@@H+](C)Cc2cc3ccccc3nc2N)cn1 ZINC000050817248 523514581 /nfs/dbraw/zinc/51/45/81/523514581.db2.gz AAGQQBDYHAMRMJ-UHFFFAOYSA-N 1 2 281.363 2.183 10 0 CEAELO COC(=O)[C@@](C)(C[C@@H](C)Sc1ncccn1)[NH2+]C(C)C ZINC000068638217 523815805 /nfs/dbraw/zinc/81/58/05/523815805.db2.gz WSHJKQMUZKYLHN-BXUZGUMPSA-N 1 2 297.424 2.277 10 0 CEAELO COC(=O)[C@@](COC1CCCC1)([NH2+]C(C)C)C1CC1 ZINC000069196800 523823428 /nfs/dbraw/zinc/82/34/28/523823428.db2.gz IQPNFUFFCGZEHQ-HNNXBMFYSA-N 1 2 269.385 2.265 10 0 CEAELO COC(=O)[C@H](CCN1CCCc2ccccc21)[NH2+]C(C)C ZINC000062442811 523897867 /nfs/dbraw/zinc/89/78/67/523897867.db2.gz QPTDTXOTCCHUOO-HNNXBMFYSA-N 1 2 290.407 2.369 10 0 CEAELO COC(=O)[C@](C)(CCSc1cc(C)nn1C)[NH2+]C(C)C ZINC000052312222 523998986 /nfs/dbraw/zinc/99/89/86/523998986.db2.gz VPZGFFRQXAMSIB-AWEZNQCLSA-N 1 2 299.440 2.140 10 0 CEAELO C[C@@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCC(O)CC1 ZINC000049537523 524306343 /nfs/dbraw/zinc/30/63/43/524306343.db2.gz YHSBNUDSAMTYBE-JTQLQIEISA-N 1 2 267.756 2.368 10 0 CEAELO C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N)CCO1 ZINC000050792518 524986950 /nfs/dbraw/zinc/98/69/50/524986950.db2.gz KHHFXMACRGAIAM-LLVKDONJSA-N 1 2 257.337 2.038 10 0 CEAELO C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N)CCO1 ZINC000050792518 524986960 /nfs/dbraw/zinc/98/69/60/524986960.db2.gz KHHFXMACRGAIAM-LLVKDONJSA-N 1 2 257.337 2.038 10 0 CEAELO Cc1cc(N)nc(-c2cc(Cl)c3c(c2)OCCO3)[nH+]1 ZINC000050866380 525040974 /nfs/dbraw/zinc/04/09/74/525040974.db2.gz HTGQGLHKHQHYOI-UHFFFAOYSA-N 1 2 277.711 2.459 10 0 CEAELO Cc1cc(N)nc(-c2ccc3c(c2)CCCN3C)[nH+]1 ZINC000050866407 525042094 /nfs/dbraw/zinc/04/20/94/525042094.db2.gz SSGRRMKTLORHFZ-UHFFFAOYSA-N 1 2 254.337 2.417 10 0 CEAELO CS(=O)(=O)c1ccc(-n2c[nH+]c3cc(N)ccc32)cc1 ZINC000052842888 525240865 /nfs/dbraw/zinc/24/08/65/525240865.db2.gz PDFNZRMLHZRUHU-UHFFFAOYSA-N 1 2 287.344 2.011 10 0 CEAELO COc1ccc2cc(C[N@@H+]3CCO[C@@H](C)C3)c(N)nc2c1 ZINC000050792517 525629434 /nfs/dbraw/zinc/62/94/34/525629434.db2.gz DPSCCWTVMRSOSG-NSHDSACASA-N 1 2 287.363 2.046 10 0 CEAELO COc1ccc2cc(C[N@H+]3CCO[C@@H](C)C3)c(N)nc2c1 ZINC000050792517 525629443 /nfs/dbraw/zinc/62/94/43/525629443.db2.gz DPSCCWTVMRSOSG-NSHDSACASA-N 1 2 287.363 2.046 10 0 CEAELO C[C@@H](O)[C@@H]([NH3+])c1nc(C2(c3ccccc3)CCCC2)no1 ZINC000062782410 525846383 /nfs/dbraw/zinc/84/63/83/525846383.db2.gz RJMGCDQOJAUFCD-DGCLKSJQSA-N 1 2 287.363 2.310 10 0 CEAELO Cc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)cs1 ZINC000069341330 526655419 /nfs/dbraw/zinc/65/54/19/526655419.db2.gz ZBOKAEHMJMSPRE-UHFFFAOYSA-N 1 2 285.332 2.285 10 0 CEAELO Cc1nc(CNc2cc[nH+]c(C(N)=S)c2)cs1 ZINC000061812975 526900774 /nfs/dbraw/zinc/90/07/74/526900774.db2.gz HKEHHKPZRBOIHV-UHFFFAOYSA-N 1 2 264.379 2.093 10 0 CEAELO O=C1CNc2ccccc2N1Cc1cn2ccccc2[nH+]1 ZINC000061441709 527012578 /nfs/dbraw/zinc/01/25/78/527012578.db2.gz QIUNGMAYVOSGIJ-UHFFFAOYSA-N 1 2 278.315 2.293 10 0 CEAELO NC(=O)c1cc(N)ccc1[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050601544 527027920 /nfs/dbraw/zinc/02/79/20/527027920.db2.gz JTBKRCAODHMUCM-CYBMUJFWSA-N 1 2 281.359 2.362 10 0 CEAELO NC(=O)c1cc(N)ccc1[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050601544 527027928 /nfs/dbraw/zinc/02/79/28/527027928.db2.gz JTBKRCAODHMUCM-CYBMUJFWSA-N 1 2 281.359 2.362 10 0 CEAELO NNc1cccc(C(=O)Nc2cccc(Cl)c2)[nH+]1 ZINC000051096298 527282977 /nfs/dbraw/zinc/28/29/77/527282977.db2.gz KQRFCMGCCCNZIF-UHFFFAOYSA-N 1 2 262.700 2.273 10 0 CEAELO Cc1[nH+]cn(-c2nc(Cl)nc(OC(C)C)n2)c1C ZINC000061543130 527461361 /nfs/dbraw/zinc/46/13/61/527461361.db2.gz GQDHWFPHKPRMGP-UHFFFAOYSA-N 1 2 267.720 2.115 10 0 CEAELO Nc1ccc2[nH+]c(N3CCCC[C@@H]3CO)ccc2c1 ZINC000048857510 527509298 /nfs/dbraw/zinc/50/92/98/527509298.db2.gz BYMAAEITXSADGY-CYBMUJFWSA-N 1 2 257.337 2.168 10 0 CEAELO Cc1[nH]c[nH+]c1-c1cc(-c2ccn(C)c2)nc(N)c1C#N ZINC000067688318 631669298 /nfs/dbraw/zinc/66/92/98/631669298.db2.gz AYUYHCQOJWNORL-UHFFFAOYSA-N 1 2 278.319 2.240 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccccc1)C2 ZINC000220589550 539258589 /nfs/dbraw/zinc/25/85/89/539258589.db2.gz FVLBZFKBAXFQHL-LLVKDONJSA-N 1 2 255.321 2.462 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccccc1)CC2 ZINC000220589550 539258590 /nfs/dbraw/zinc/25/85/90/539258590.db2.gz FVLBZFKBAXFQHL-LLVKDONJSA-N 1 2 255.321 2.462 10 0 CEAELO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1cccs1 ZINC000043291293 362142636 /nfs/dbraw/zinc/14/26/36/362142636.db2.gz NZSOJKCKOUPRCF-SNVBAGLBSA-N 1 2 264.354 2.005 10 0 CEAELO Cc1nc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)no1 ZINC000036762332 343424206 /nfs/dbraw/zinc/42/42/06/343424206.db2.gz NLWBWOXSLLEVAI-VIFPVBQESA-N 1 2 257.215 2.445 10 0 CEAELO CCOC(=O)c1cc2ccc(C[NH+]3CCOCC3)cc2o1 ZINC000118444726 344291447 /nfs/dbraw/zinc/29/14/47/344291447.db2.gz WFJNZANRPUGQMC-UHFFFAOYSA-N 1 2 289.331 2.442 10 0 CEAELO CNc1nc(N2CCCC2)nc(NCc2ccccc2)[nH+]1 ZINC000128083744 344334204 /nfs/dbraw/zinc/33/42/04/344334204.db2.gz ODOXHVRMCSKCGD-UHFFFAOYSA-N 1 2 284.367 2.126 10 0 CEAELO CNc1nc(NCc2ccccc2)nc(N2CCCC2)[nH+]1 ZINC000128083744 344334207 /nfs/dbraw/zinc/33/42/07/344334207.db2.gz ODOXHVRMCSKCGD-UHFFFAOYSA-N 1 2 284.367 2.126 10 0 CEAELO CNc1nc(NCc2ccccc2)[nH+]c(N2CCCC2)n1 ZINC000128083744 344334209 /nfs/dbraw/zinc/33/42/09/344334209.db2.gz ODOXHVRMCSKCGD-UHFFFAOYSA-N 1 2 284.367 2.126 10 0 CEAELO CN1c2ccccc2N=C(c2ccccc2)[C@H]([NH3+])C1=O ZINC000165449493 344474404 /nfs/dbraw/zinc/47/44/04/344474404.db2.gz BPFPGKAMYLTIOA-AWEZNQCLSA-N 1 2 265.316 2.111 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(O)cc1)C2 ZINC000220593671 344538719 /nfs/dbraw/zinc/53/87/19/344538719.db2.gz ISPWBMVKTLTDGO-JTQLQIEISA-N 1 2 271.320 2.167 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(O)cc1)CC2 ZINC000220593671 344538721 /nfs/dbraw/zinc/53/87/21/344538721.db2.gz ISPWBMVKTLTDGO-JTQLQIEISA-N 1 2 271.320 2.167 10 0 CEAELO OCC[C@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000227576303 344554629 /nfs/dbraw/zinc/55/46/29/344554629.db2.gz NRDXMBXVQCNLSM-SNVBAGLBSA-N 1 2 279.365 2.002 10 0 CEAELO OCC[C@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000227576303 344554631 /nfs/dbraw/zinc/55/46/31/344554631.db2.gz NRDXMBXVQCNLSM-SNVBAGLBSA-N 1 2 279.365 2.002 10 0 CEAELO OCc1c[nH+]cn1Cc1cc(Br)cs1 ZINC000085215955 178979153 /nfs/dbraw/zinc/97/91/53/178979153.db2.gz KLHHEDTWIMSTAJ-UHFFFAOYSA-N 1 2 273.155 2.248 10 0 CEAELO O=C(c1cc2ccccc2[nH]1)N1CCn2cc[nH+]c2C1 ZINC000062329303 362716563 /nfs/dbraw/zinc/71/65/63/362716563.db2.gz RENILKBXBZEBJU-UHFFFAOYSA-N 1 2 266.304 2.020 10 0 CEAELO CCCc1[nH+]c(CCCOC)nc(N)c1Br ZINC000085459919 179068995 /nfs/dbraw/zinc/06/89/95/179068995.db2.gz MCVMSYBZBCFPQU-UHFFFAOYSA-N 1 2 288.189 2.353 10 0 CEAELO CCO[C@@H]1C[C@@H]([NH2+]C(C)(C)C(=O)OC)C12CCCC2 ZINC000085679652 179113048 /nfs/dbraw/zinc/11/30/48/179113048.db2.gz RDQGJGHZYPUFGC-VXGBXAGGSA-N 1 2 269.385 2.265 10 0 CEAELO CCCNC(=O)c1cc2c(s1)C[N@@H+](C1CC1)C2 ZINC000065239035 362806255 /nfs/dbraw/zinc/80/62/55/362806255.db2.gz WBOUCNNYDXIJTA-UHFFFAOYSA-N 1 2 250.367 2.366 10 0 CEAELO CCCNC(=O)c1cc2c(s1)C[N@H+](C1CC1)C2 ZINC000065239035 362806260 /nfs/dbraw/zinc/80/62/60/362806260.db2.gz WBOUCNNYDXIJTA-UHFFFAOYSA-N 1 2 250.367 2.366 10 0 CEAELO Brc1csc(NCCc2c[nH]c[nH+]2)n1 ZINC000086290209 179265568 /nfs/dbraw/zinc/26/55/68/179265568.db2.gz USSMHAXIWKCDRP-UHFFFAOYSA-N 1 2 273.159 2.283 10 0 CEAELO Brc1csc(NCCc2c[nH+]c[nH]2)n1 ZINC000086290209 179265569 /nfs/dbraw/zinc/26/55/69/179265569.db2.gz USSMHAXIWKCDRP-UHFFFAOYSA-N 1 2 273.159 2.283 10 0 CEAELO Cn1c[nH+]cc1[C@@H](O)c1cscc1Br ZINC000086553974 179307424 /nfs/dbraw/zinc/30/74/24/179307424.db2.gz ZSONXEZSQIRAFJ-VIFPVBQESA-N 1 2 273.155 2.326 10 0 CEAELO CC[NH2+][C@](C)(CSc1nc(C)c(C)c(C)n1)C(=O)OC ZINC000086644992 179316320 /nfs/dbraw/zinc/31/63/20/179316320.db2.gz IKQKDKKCRHWCQU-CQSZACIVSA-N 1 2 297.424 2.035 10 0 CEAELO COC(=O)[C@@H]([NH2+]Cc1cn(C)c2ccccc12)C(C)C ZINC000086806772 179339713 /nfs/dbraw/zinc/33/97/13/179339713.db2.gz VWZGVOHJJNLTOW-HNNXBMFYSA-N 1 2 274.364 2.466 10 0 CEAELO COCCCc1nc2sc3c(c2c(NN)[nH+]1)CCC3 ZINC000086971442 179370894 /nfs/dbraw/zinc/37/08/94/179370894.db2.gz QNWJPUJEBFLPOV-UHFFFAOYSA-N 1 2 278.381 2.045 10 0 CEAELO CC[NH2+][C@H](c1ccn(C)n1)c1cc(F)ccc1F ZINC000087424769 179423797 /nfs/dbraw/zinc/42/37/97/179423797.db2.gz YZOYWJBEXNIOOI-ZDUSSCGKSA-N 1 2 251.280 2.397 10 0 CEAELO CC(=O)N1C[C@@H](c2ccc(N)[nH+]c2)Cc2ccccc21 ZINC000616689649 348561667 /nfs/dbraw/zinc/56/16/67/348561667.db2.gz IFROILSRYGRHDQ-AWEZNQCLSA-N 1 2 267.332 2.187 10 0 CEAELO CC(C)n1c[nH+]cc1CNc1ccc(F)c(C(N)=O)c1 ZINC000090208042 179933795 /nfs/dbraw/zinc/93/37/95/179933795.db2.gz QLMOJLRXBDAHGU-UHFFFAOYSA-N 1 2 276.315 2.314 10 0 CEAELO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1cscn1 ZINC000104447275 186004770 /nfs/dbraw/zinc/00/47/70/186004770.db2.gz FLESQGLXRXMSMG-QMMMGPOBSA-N 1 2 250.371 2.344 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874468 180049883 /nfs/dbraw/zinc/04/98/83/180049883.db2.gz SCTSVWKIJZZFAC-KBPBESRZSA-N 1 2 277.364 2.167 10 0 CEAELO OCc1cn(CCCn2cc[nH+]c2)c2ccccc12 ZINC000091006526 180084757 /nfs/dbraw/zinc/08/47/57/180084757.db2.gz AKAHIBBCJJPMPB-UHFFFAOYSA-N 1 2 255.321 2.420 10 0 CEAELO Cc1ccc(N[C@@H](C(N)=O)c2c[nH+]cn2C(C)C)cc1 ZINC000091272562 180117913 /nfs/dbraw/zinc/11/79/13/180117913.db2.gz UHKNXEILYFWMJZ-CQSZACIVSA-N 1 2 272.352 2.411 10 0 CEAELO Nc1c(-c2cncn2C2CC2)[nH+]c(C2CCCCC2)n1N ZINC000091275018 180119067 /nfs/dbraw/zinc/11/90/67/180119067.db2.gz KTVDFRQYTPFXLQ-UHFFFAOYSA-N 1 2 286.383 2.425 10 0 CEAELO O[C@H](c1c[nH+]cn1C1CC1)[C@@H]1Cc2ccccc2N1 ZINC000091277335 180119559 /nfs/dbraw/zinc/11/95/59/180119559.db2.gz GOTKKUWMPKSVKI-ZFWWWQNUSA-N 1 2 255.321 2.288 10 0 CEAELO COC(=O)[C@H](NC1CCCCC1)c1c[nH+]cn1C1CC1 ZINC000091276946 180120029 /nfs/dbraw/zinc/12/00/29/180120029.db2.gz FKQNNZDLQSCJST-CQSZACIVSA-N 1 2 277.368 2.354 10 0 CEAELO Cn1c[nH+]cc1COc1ccc(CO)cc1Br ZINC000091278682 180121258 /nfs/dbraw/zinc/12/12/58/180121258.db2.gz WZXMRYCDKWCSTA-UHFFFAOYSA-N 1 2 297.152 2.254 10 0 CEAELO Nc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C2 ZINC000091499670 180173755 /nfs/dbraw/zinc/17/37/55/180173755.db2.gz OPVPRTWPNSJEFQ-UHFFFAOYSA-N 1 2 285.322 2.362 10 0 CEAELO Nc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(F)cc1)C2 ZINC000091499670 180173757 /nfs/dbraw/zinc/17/37/57/180173757.db2.gz OPVPRTWPNSJEFQ-UHFFFAOYSA-N 1 2 285.322 2.362 10 0 CEAELO Cc1nc(-c2cnn(-c3ccccc3)c2)[nH+]c(NN)c1F ZINC000091499794 180174805 /nfs/dbraw/zinc/17/48/05/180174805.db2.gz IXHYCEHTCAPILH-UHFFFAOYSA-N 1 2 284.298 2.062 10 0 CEAELO CC(C)([C@@H](O)c1cccc(F)c1F)[NH+]1CCOCC1 ZINC000091566039 180194189 /nfs/dbraw/zinc/19/41/89/180194189.db2.gz HTDAYMOQBSYOKQ-ZDUSSCGKSA-N 1 2 271.307 2.109 10 0 CEAELO CC[C@@](C)([C@@H](O)c1cc(F)cc(F)c1)[NH+]1CCOCC1 ZINC000091611127 180206821 /nfs/dbraw/zinc/20/68/21/180206821.db2.gz MAAGCPIYUJPQOM-GJZGRUSLSA-N 1 2 285.334 2.499 10 0 CEAELO O=C(c1cc(F)ccc1F)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714023 180231476 /nfs/dbraw/zinc/23/14/76/180231476.db2.gz JABUEISSAKIOBY-MFKMUULPSA-N 1 2 267.275 2.011 10 0 CEAELO O=C(c1cc(F)ccc1F)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091714023 180231478 /nfs/dbraw/zinc/23/14/78/180231478.db2.gz JABUEISSAKIOBY-MFKMUULPSA-N 1 2 267.275 2.011 10 0 CEAELO CCNc1nc([C@H]2C[N@H+](C)CCO2)nc2c1CCCCC2 ZINC000091722865 180241660 /nfs/dbraw/zinc/24/16/60/180241660.db2.gz XRRKCISKWANMCA-CQSZACIVSA-N 1 2 290.411 2.180 10 0 CEAELO CCNc1nc([C@H]2C[N@@H+](C)CCO2)nc2c1CCCCC2 ZINC000091722865 180241661 /nfs/dbraw/zinc/24/16/61/180241661.db2.gz XRRKCISKWANMCA-CQSZACIVSA-N 1 2 290.411 2.180 10 0 CEAELO CC(C)CNc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ns1 ZINC000091747994 180245537 /nfs/dbraw/zinc/24/55/37/180245537.db2.gz ZECFCXDVQACOGA-MNOVXSKESA-N 1 2 282.413 2.142 10 0 CEAELO CC(C)CNc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)ns1 ZINC000091747994 180245539 /nfs/dbraw/zinc/24/55/39/180245539.db2.gz ZECFCXDVQACOGA-MNOVXSKESA-N 1 2 282.413 2.142 10 0 CEAELO Cc1ccc(N)cc1SCC[NH+]1CCOCC1 ZINC000091941953 180289858 /nfs/dbraw/zinc/28/98/58/180289858.db2.gz JRXHAMDAIMZNNB-UHFFFAOYSA-N 1 2 252.383 2.002 10 0 CEAELO CCC(=O)c1ccc(OC[C@H]2C[N@H+](CC)CCO2)cc1 ZINC000092056557 180314383 /nfs/dbraw/zinc/31/43/83/180314383.db2.gz IGAHWGYNQSRABA-OAHLLOKOSA-N 1 2 277.364 2.379 10 0 CEAELO CCC(=O)c1ccc(OC[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092056557 180314386 /nfs/dbraw/zinc/31/43/86/180314386.db2.gz IGAHWGYNQSRABA-OAHLLOKOSA-N 1 2 277.364 2.379 10 0 CEAELO CC[N@@H+]1CCO[C@H](COc2cccc(Cl)c2C=O)C1 ZINC000092057012 180314665 /nfs/dbraw/zinc/31/46/65/180314665.db2.gz ZYDPKRBTGHEHQS-NSHDSACASA-N 1 2 283.755 2.252 10 0 CEAELO CC[N@H+]1CCO[C@H](COc2cccc(Cl)c2C=O)C1 ZINC000092057012 180314667 /nfs/dbraw/zinc/31/46/67/180314667.db2.gz ZYDPKRBTGHEHQS-NSHDSACASA-N 1 2 283.755 2.252 10 0 CEAELO O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccc[nH]1 ZINC000105695553 186068625 /nfs/dbraw/zinc/06/86/25/186068625.db2.gz KAHVNURVZURSQQ-SECBINFHSA-N 1 2 260.259 2.472 10 0 CEAELO O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccc[nH]1 ZINC000105695553 186068627 /nfs/dbraw/zinc/06/86/27/186068627.db2.gz KAHVNURVZURSQQ-SECBINFHSA-N 1 2 260.259 2.472 10 0 CEAELO Nc1ccc(NC(=O)[C@@H]2CSc3ccccc32)c[nH+]1 ZINC000092239305 180351070 /nfs/dbraw/zinc/35/10/70/180351070.db2.gz FNXNFFYOUMDXKW-LLVKDONJSA-N 1 2 271.345 2.492 10 0 CEAELO CC1=NN(c2ccccc2Br)C(=O)[C@@H]1CC[NH3+] ZINC000092319881 180361778 /nfs/dbraw/zinc/36/17/78/180361778.db2.gz RRYMQIDBQMSZEA-SECBINFHSA-N 1 2 296.168 2.137 10 0 CEAELO C[C@@H]([NH2+][C@H]1C=CS(=O)(=O)C1)c1nc2ccccc2s1 ZINC000105959783 186094962 /nfs/dbraw/zinc/09/49/62/186094962.db2.gz 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CC(C)[C@@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482150 364947620 /nfs/dbraw/zinc/94/76/20/364947620.db2.gz CKCVCRVDLKVAFI-TZMCWYRMSA-N 1 2 278.400 2.097 10 0 CEAELO CCn1c(C)nnc1C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000162319298 367152049 /nfs/dbraw/zinc/15/20/49/367152049.db2.gz FRXDHJWHDPAICW-UHFFFAOYSA-N 1 2 287.411 2.304 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000162319298 367152055 /nfs/dbraw/zinc/15/20/55/367152055.db2.gz FRXDHJWHDPAICW-UHFFFAOYSA-N 1 2 287.411 2.304 10 0 CEAELO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)c1 ZINC000164625056 367291561 /nfs/dbraw/zinc/29/15/61/367291561.db2.gz KZQLOGKVMUXVHY-ABAIWWIYSA-N 1 2 299.378 2.422 10 0 CEAELO O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)Nc1ccncc1 ZINC000171051538 367467666 /nfs/dbraw/zinc/46/76/66/367467666.db2.gz FPGHAWXQQZMQSP-JTQLQIEISA-N 1 2 287.285 2.294 10 0 CEAELO O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)Nc1ccncc1 ZINC000171051538 367467670 /nfs/dbraw/zinc/46/76/70/367467670.db2.gz FPGHAWXQQZMQSP-JTQLQIEISA-N 1 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ZINC000090906054 135065967 /nfs/dbraw/zinc/06/59/67/135065967.db2.gz HYHCUCDHDAMOGX-PHIMTYICSA-N 1 2 255.321 2.185 10 0 CEAELO COC(=O)[C@H](C)[C@H](C)[N@@H+]1CCCc2cc(N)ccc21 ZINC000093038395 135078223 /nfs/dbraw/zinc/07/82/23/135078223.db2.gz PRCJXXFUOLIGFE-MNOVXSKESA-N 1 2 262.353 2.219 10 0 CEAELO COC(=O)[C@H](C)[C@H](C)[N@H+]1CCCc2cc(N)ccc21 ZINC000093038395 135078225 /nfs/dbraw/zinc/07/82/25/135078225.db2.gz PRCJXXFUOLIGFE-MNOVXSKESA-N 1 2 262.353 2.219 10 0 CEAELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc2c(c1)OCCO2 ZINC000120792895 394783928 /nfs/dbraw/zinc/78/39/28/394783928.db2.gz LLCPJADNPSGQEJ-RYUDHWBXSA-N 1 2 263.337 2.067 10 0 CEAELO Cc1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)no1 ZINC000152193439 394989575 /nfs/dbraw/zinc/98/95/75/394989575.db2.gz LVHDVWNOBVKINR-CQSZACIVSA-N 1 2 259.309 2.031 10 0 CEAELO Cc1cc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)no1 ZINC000152193439 394989580 /nfs/dbraw/zinc/98/95/80/394989580.db2.gz LVHDVWNOBVKINR-CQSZACIVSA-N 1 2 259.309 2.031 10 0 CEAELO CCc1ccccc1Cn1ncc2c1nc[nH+]c2NC ZINC000194431117 395435812 /nfs/dbraw/zinc/43/58/12/395435812.db2.gz ADJPVOCGNLYGRO-UHFFFAOYSA-N 1 2 267.336 2.479 10 0 CEAELO CNc1[nH+]cnc2c1cnn2CCc1ccc(F)c(F)c1 ZINC000194418515 395436062 /nfs/dbraw/zinc/43/60/62/395436062.db2.gz OFMGWCAGJTUPAB-UHFFFAOYSA-N 1 2 289.289 2.389 10 0 CEAELO Cc1nnc(C[NH2+][C@H](C)c2cc(F)ccc2F)[nH]1 ZINC000392410823 400543253 /nfs/dbraw/zinc/54/32/53/400543253.db2.gz ZDUJKEVBPXHTOR-SSDOTTSWSA-N 1 2 252.268 2.242 10 0 CEAELO C[C@H](Nc1nc2c(cnn2C)c(N)[nH+]1)c1cccs1 ZINC000302860969 154198869 /nfs/dbraw/zinc/19/88/69/154198869.db2.gz UWUXGGZQRIWZJT-ZETCQYMHSA-N 1 2 274.353 2.180 10 0 CEAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2CCCCCO)no1 ZINC000171147519 162380076 /nfs/dbraw/zinc/38/00/76/162380076.db2.gz SVCVKYAIOHQASM-LBPRGKRZSA-N 1 2 267.373 2.493 10 0 CEAELO CC(C)c1nc([C@@H]2CCC[N@H+]2CCCCCO)no1 ZINC000171147519 162380081 /nfs/dbraw/zinc/38/00/81/162380081.db2.gz SVCVKYAIOHQASM-LBPRGKRZSA-N 1 2 267.373 2.493 10 0 CEAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccoc1 ZINC000178494157 165243445 /nfs/dbraw/zinc/24/34/45/165243445.db2.gz RDZOVYDREVFEIM-CMPLNLGQSA-N 1 2 276.340 2.203 10 0 CEAELO Cc1nc([C@H]2C[N@H+](Cc3cccc(C)c3C)CCO2)n[nH]1 ZINC000180110058 165295809 /nfs/dbraw/zinc/29/58/09/165295809.db2.gz VNIAOITYKNBQOX-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@H]2C[N@@H+](Cc3cccc(C)c3C)CCO2)n[nH]1 ZINC000180110058 165295812 /nfs/dbraw/zinc/29/58/12/165295812.db2.gz VNIAOITYKNBQOX-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO CC(C)(C)C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)C(F)(F)F ZINC000181053951 165328502 /nfs/dbraw/zinc/32/85/02/165328502.db2.gz WBDOTAVCZHFTIL-SNVBAGLBSA-N 1 2 295.349 2.486 10 0 CEAELO NC(=O)c1ccc(N2Cc3ccccc3C2=[NH2+])cc1 ZINC000020078759 170985489 /nfs/dbraw/zinc/98/54/89/170985489.db2.gz HCDBEFBZQWHRDD-UHFFFAOYSA-N 1 2 251.289 2.131 10 0 CEAELO Nc1c[nH+]ccc1Oc1ccc2c(c1)CCC(=O)N2 ZINC000020370537 171167915 /nfs/dbraw/zinc/16/79/15/171167915.db2.gz KFBCMPJWBAGLKW-UHFFFAOYSA-N 1 2 255.277 2.341 10 0 CEAELO Nc1ccc2nc(NC(=O)CCn3cc[nH+]c3)sc2c1 ZINC000022222113 171378746 /nfs/dbraw/zinc/37/87/46/171378746.db2.gz RMDCLAHXOSMDLC-UHFFFAOYSA-N 1 2 287.348 2.104 10 0 CEAELO Cc1cc2c(cc1C)C(=O)[C@@H](N1CC[NH+](C)CC1)CCC2 ZINC000022589566 171393019 /nfs/dbraw/zinc/39/30/19/171393019.db2.gz HEBZXBVEYPXTCK-KRWDZBQOSA-N 1 2 286.419 2.438 10 0 CEAELO CC[C@H](C)NC(=O)[C@H](C)Sc1ccc(N)[nH+]c1 ZINC000037192554 173021733 /nfs/dbraw/zinc/02/17/33/173021733.db2.gz SJKDZSROWJQEOD-IUCAKERBSA-N 1 2 253.371 2.059 10 0 CEAELO Cc1noc(C[NH2+]Cc2ccc(Br)s2)n1 ZINC000038034270 174032972 /nfs/dbraw/zinc/03/29/72/174032972.db2.gz XHACQRBDFLBAHP-UHFFFAOYSA-N 1 2 288.170 2.492 10 0 CEAELO O=C([O-])[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2cccs2)CC1 ZINC000038042707 174046022 /nfs/dbraw/zinc/04/60/22/174046022.db2.gz RUGPNXLUQBSBIU-AWEZNQCLSA-N 1 2 294.420 2.262 10 0 CEAELO O=C([O-])[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2cccs2)CC1 ZINC000038042707 174046023 /nfs/dbraw/zinc/04/60/23/174046023.db2.gz RUGPNXLUQBSBIU-AWEZNQCLSA-N 1 2 294.420 2.262 10 0 CEAELO CC[C@H](C)[NH2+][C@@](C)(C(=O)OC)c1cccc(OC)c1 ZINC000038067043 174078299 /nfs/dbraw/zinc/07/82/99/174078299.db2.gz RAVSIPCZARDVMK-XHDPSFHLSA-N 1 2 265.353 2.472 10 0 CEAELO CCN(Cc1cccc(N)c1)c1[nH+]c(C)ccc1C(N)=O ZINC000043395993 175035493 /nfs/dbraw/zinc/03/54/93/175035493.db2.gz FYUAVFJESWQMQU-UHFFFAOYSA-N 1 2 284.363 2.098 10 0 CEAELO CCN(Cc1ccccc1N)c1[nH+]c(C)ccc1C(N)=O ZINC000043396010 175035556 /nfs/dbraw/zinc/03/55/56/175035556.db2.gz RRYDVDKZBKTUHW-UHFFFAOYSA-N 1 2 284.363 2.098 10 0 CEAELO Cc1cc(N)ccc1C(=O)N(Cc1[nH+]ccn1C)C1CC1 ZINC000044748761 175244012 /nfs/dbraw/zinc/24/40/12/175244012.db2.gz NYIDUAVMOKPOKT-UHFFFAOYSA-N 1 2 284.363 2.116 10 0 CEAELO Cc1cc(C[NH2+]Cc2cnc3ccccc3n2)on1 ZINC000044986910 175284600 /nfs/dbraw/zinc/28/46/00/175284600.db2.gz PGIJLHRINQHNLH-UHFFFAOYSA-N 1 2 254.293 2.216 10 0 CEAELO CC1(C)C[C@H]1Nc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000045137120 175314331 /nfs/dbraw/zinc/31/43/31/175314331.db2.gz JDTSXIMARHQEFH-LLVKDONJSA-N 1 2 261.394 2.415 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231707 175335697 /nfs/dbraw/zinc/33/56/97/175335697.db2.gz KIRSVTIHLUWVJE-SCRDCRAPSA-N 1 2 256.390 2.091 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231707 175335698 /nfs/dbraw/zinc/33/56/98/175335698.db2.gz KIRSVTIHLUWVJE-SCRDCRAPSA-N 1 2 256.390 2.091 10 0 CEAELO CCC1CCC([N@H+](C)C[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045281083 175352101 /nfs/dbraw/zinc/35/21/01/175352101.db2.gz WVFLCMAABPHZRX-PXCJXSSVSA-N 1 2 282.428 2.482 10 0 CEAELO CCC1CCC([N@@H+](C)C[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045281083 175352102 /nfs/dbraw/zinc/35/21/02/175352102.db2.gz WVFLCMAABPHZRX-PXCJXSSVSA-N 1 2 282.428 2.482 10 0 CEAELO CCOC(=O)[C@@H](CN(CC)c1ccccc1)[NH2+]C(C)C ZINC000045379847 175369105 /nfs/dbraw/zinc/36/91/05/175369105.db2.gz PDGSVQBOPDZPLK-OAHLLOKOSA-N 1 2 278.396 2.443 10 0 CEAELO CCC[NH2+][C@H](CN(CC(F)(F)F)C(C)C)C(=O)OCC ZINC000045420466 175378543 /nfs/dbraw/zinc/37/85/43/175378543.db2.gz BKEBTBXSMOMFET-LLVKDONJSA-N 1 2 298.349 2.190 10 0 CEAELO Cn1ccnc1C[NH2+]Cc1ccc(Br)o1 ZINC000070852845 176008800 /nfs/dbraw/zinc/00/88/00/176008800.db2.gz JFGJQRAZBNXDBR-UHFFFAOYSA-N 1 2 270.130 2.065 10 0 CEAELO Cc1cn2c(C[NH2+]Cc3nccn3C)c(C)nc2s1 ZINC000071140819 176038861 /nfs/dbraw/zinc/03/88/61/176038861.db2.gz IDAXKMKNBWMMLE-UHFFFAOYSA-N 1 2 275.381 2.036 10 0 CEAELO Nc1[nH+]cnc2c1cnn2CCCc1ccccc1 ZINC000071151584 176045673 /nfs/dbraw/zinc/04/56/73/176045673.db2.gz AUHIBNJZJYFSRQ-UHFFFAOYSA-N 1 2 253.309 2.041 10 0 CEAELO Cn1cc[nH+]c1CNc1ccc2ncccc2c1N ZINC000071275498 176106732 /nfs/dbraw/zinc/10/67/32/176106732.db2.gz MQQTVZCFIVURSA-UHFFFAOYSA-N 1 2 253.309 2.163 10 0 CEAELO Cn1cc[nH+]c1CNc1ccc(C(N)=S)cc1Cl ZINC000071276287 176107319 /nfs/dbraw/zinc/10/73/19/176107319.db2.gz XHCLRHHROYNKRH-UHFFFAOYSA-N 1 2 280.784 2.320 10 0 CEAELO CCOC(=O)CCCCCOc1ccc[nH+]c1N ZINC000071292384 176110497 /nfs/dbraw/zinc/11/04/97/176110497.db2.gz ANHXSUPCYMEAKT-UHFFFAOYSA-N 1 2 252.314 2.166 10 0 CEAELO C[C@H]1C[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H](C)C1 ZINC000662627208 415910266 /nfs/dbraw/zinc/91/02/66/415910266.db2.gz CCQDINXIQLAAOV-QCNOEVLYSA-N 1 2 274.355 2.172 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1NC(=O)c1ccco1 ZINC000076716305 177068951 /nfs/dbraw/zinc/06/89/51/177068951.db2.gz KWKYWECWGYTVMJ-UHFFFAOYSA-N 1 2 261.281 2.002 10 0 CEAELO CCN(C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1C ZINC000078272080 177329453 /nfs/dbraw/zinc/32/94/53/177329453.db2.gz QOOBXMYIHUEWAK-GASCZTMLSA-N 1 2 290.407 2.457 10 0 CEAELO CCN(C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1C ZINC000078272080 177329455 /nfs/dbraw/zinc/32/94/55/177329455.db2.gz QOOBXMYIHUEWAK-GASCZTMLSA-N 1 2 290.407 2.457 10 0 CEAELO COC(OC)[C@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000079614163 177525425 /nfs/dbraw/zinc/52/54/25/177525425.db2.gz PMCLRKUVJNIGCH-NSHDSACASA-N 1 2 252.358 2.480 10 0 CEAELO CCn1ccnc1[C@H]([NH2+]C)c1ccc(Cl)cn1 ZINC000079751035 177552179 /nfs/dbraw/zinc/55/21/79/177552179.db2.gz NJNBGLWDGIHAAQ-LLVKDONJSA-N 1 2 250.733 2.260 10 0 CEAELO C[C@H]1COC[C@H](C)[NH+]1CCOCC(F)(F)C(F)F ZINC000189377137 262171451 /nfs/dbraw/zinc/17/14/51/262171451.db2.gz WDGQLAQQJLLTDL-IUCAKERBSA-N 1 2 273.270 2.013 10 0 CEAELO C[C@@H]1C[NH+](CCOCC(F)(F)C(F)F)C[C@@H](C)O1 ZINC000188573837 262318397 /nfs/dbraw/zinc/31/83/97/262318397.db2.gz AUSTWMQHUGQSCN-RKDXNWHRSA-N 1 2 273.270 2.013 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccon1)C2 ZINC000158020099 276066211 /nfs/dbraw/zinc/06/62/11/276066211.db2.gz NGUHVJCNTHOHQU-UHFFFAOYSA-N 1 2 260.341 2.090 10 0 CEAELO CC1(C)Cc2cc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)ccc2O1 ZINC000263127960 278395575 /nfs/dbraw/zinc/39/55/75/278395575.db2.gz BJTHLMDVMXJZOX-NSHDSACASA-N 1 2 296.317 2.336 10 0 CEAELO O=C(N[C@@H]1COc2ccccc21)c1ccc2[nH+]ccn2c1 ZINC000171166252 279929735 /nfs/dbraw/zinc/92/97/35/279929735.db2.gz KUJUPNSXQUZOFY-CYBMUJFWSA-N 1 2 279.299 2.198 10 0 CEAELO C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000380882594 321831518 /nfs/dbraw/zinc/83/15/18/321831518.db2.gz CWPXWKCWFUOXKI-KCJUWKMLSA-N 1 2 279.727 2.439 10 0 CEAELO CCNc1[nH+]cccc1CSc1nnc(C)o1 ZINC000052756638 520377055 /nfs/dbraw/zinc/37/70/55/520377055.db2.gz AUJWDSIDOKPRTE-UHFFFAOYSA-N 1 2 250.327 2.497 10 0 CEAELO CCCCOCCOCC[C@@H]([NH2+]C(C)C)C(=O)OCC ZINC000062542820 520788926 /nfs/dbraw/zinc/78/89/26/520788926.db2.gz CLDNMHRDHNNCPH-CQSZACIVSA-N 1 2 289.416 2.140 10 0 CEAELO CC(=O)N(C)Cc1ccccc1NCc1[nH]c[nH+]c1C ZINC000054795189 519449698 /nfs/dbraw/zinc/44/96/98/519449698.db2.gz PYUCNOORHMNNID-UHFFFAOYSA-N 1 2 272.352 2.309 10 0 CEAELO CC(C)Cn1cnnc1[C@H]1[NH2+]CCc2sccc21 ZINC000054526298 519532396 /nfs/dbraw/zinc/53/23/96/519532396.db2.gz FBYPUXFKNGYHEE-LBPRGKRZSA-N 1 2 262.382 2.231 10 0 CEAELO CC(C)[NH2+][C@@](C[NH+]1C[C@H](C)C[C@@H](C)C1)(C(=O)[O-])C1CC1 ZINC000069091854 519737257 /nfs/dbraw/zinc/73/72/57/519737257.db2.gz MRAJDZKIMIDKIV-XJKCOSOUSA-N 1 2 282.428 2.196 10 0 CEAELO CC(C)[C@H](C[NH+](C)C)Nc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054531051 519815003 /nfs/dbraw/zinc/81/50/03/519815003.db2.gz XHEROGJAHSECHP-AWEZNQCLSA-N 1 2 291.395 2.267 10 0 CEAELO CCC[NH+]1CCC(Nc2cccc(C(=O)[O-])[nH+]2)CC1 ZINC000051043843 519847441 /nfs/dbraw/zinc/84/74/41/519847441.db2.gz TWFSBHITWQPBRK-UHFFFAOYSA-N 1 2 263.341 2.066 10 0 CEAELO CCNC(=O)c1ccc(NCc2c[nH+]c(C)[nH]2)c(C)c1 ZINC000054822342 519896121 /nfs/dbraw/zinc/89/61/21/519896121.db2.gz LUGGCHVDYUNWJK-UHFFFAOYSA-N 1 2 272.352 2.388 10 0 CEAELO CCNC(=O)c1ccc(NCc2c[nH]c(C)[nH+]2)c(C)c1 ZINC000054822342 519896122 /nfs/dbraw/zinc/89/61/22/519896122.db2.gz LUGGCHVDYUNWJK-UHFFFAOYSA-N 1 2 272.352 2.388 10 0 CEAELO CCC[NH2+][C@@](CSCC)(C(=O)OCC)C1CC1 ZINC000069185058 520057892 /nfs/dbraw/zinc/05/78/92/520057892.db2.gz SSKSPJUEZPFYGG-CYBMUJFWSA-N 1 2 259.415 2.451 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc(F)cc1F)C(=O)OCC ZINC000062547039 520092176 /nfs/dbraw/zinc/09/21/76/520092176.db2.gz MIYTUEVEFKPCNX-LBPRGKRZSA-N 1 2 287.306 2.275 10 0 CEAELO CCN(C(=O)c1cccc(NN)[nH+]1)c1ccc(F)cc1 ZINC000051094964 520100188 /nfs/dbraw/zinc/10/01/88/520100188.db2.gz PBGMQBKQHDDLBC-UHFFFAOYSA-N 1 2 274.299 2.173 10 0 CEAELO CCCNc1cc(Cn2c(C)cc(C)nc2=O)cc[nH+]1 ZINC000052732082 520137794 /nfs/dbraw/zinc/13/77/94/520137794.db2.gz GBXLUYNOGJPPAD-UHFFFAOYSA-N 1 2 272.352 2.125 10 0 CEAELO CC[NH2+][C@H](CCN(CC)c1ccccc1)C(=O)OCC ZINC000062443697 520187914 /nfs/dbraw/zinc/18/79/14/520187914.db2.gz JIZOWDOTJAKWIB-OAHLLOKOSA-N 1 2 278.396 2.444 10 0 CEAELO CC[NH2+][C@](C)(COc1cccc(COC)c1)C(=O)OCC ZINC000069508584 520234413 /nfs/dbraw/zinc/23/44/13/520234413.db2.gz AFSFJVBSOUQAEW-MRXNPFEDSA-N 1 2 295.379 2.143 10 0 CEAELO CC[NH2+][C@](COc1ccccc1F)(C(=O)OC)C1CC1 ZINC000069197243 520250916 /nfs/dbraw/zinc/25/09/16/520250916.db2.gz CTECKBRFMZGPBY-HNNXBMFYSA-N 1 2 281.327 2.136 10 0 CEAELO CC[NH2+][C@](COc1ccc(C)cc1)(C(=O)OC)C1CC1 ZINC000069196052 520250954 /nfs/dbraw/zinc/25/09/54/520250954.db2.gz CPUNTWGASFCREF-INIZCTEOSA-N 1 2 277.364 2.305 10 0 CEAELO CCNc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)OCC)ccn1 ZINC000052722180 520272731 /nfs/dbraw/zinc/27/27/31/520272731.db2.gz YMMAZZCQYCLGFQ-CQSZACIVSA-N 1 2 291.395 2.431 10 0 CEAELO CCNc1cc(C[N@H+]2CCCC[C@@H]2C(=O)OCC)ccn1 ZINC000052722180 520272738 /nfs/dbraw/zinc/27/27/38/520272738.db2.gz YMMAZZCQYCLGFQ-CQSZACIVSA-N 1 2 291.395 2.431 10 0 CEAELO CCNc1[nH+]cccc1Cn1c(=O)cnc2ccccc21 ZINC000052732539 520378397 /nfs/dbraw/zinc/37/83/97/520378397.db2.gz VJNIWGSGMGOOLG-UHFFFAOYSA-N 1 2 280.331 2.272 10 0 CEAELO CCNc1[nH+]cccc1CSCC(=O)OCC ZINC000052756414 520378788 /nfs/dbraw/zinc/37/87/88/520378788.db2.gz VXRLWKTVOKLZGP-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO CCNc1[nH+]cnc2c1cnn2[C@H]1CCCCC[C@@H]1O ZINC000062367191 520383357 /nfs/dbraw/zinc/38/33/57/520383357.db2.gz LAGSUIMYRZSOBP-RYUDHWBXSA-N 1 2 275.356 2.124 10 0 CEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000184165706 520595966 /nfs/dbraw/zinc/59/59/66/520595966.db2.gz VNRPGKXKZYKXFS-HNNXBMFYSA-N 1 2 276.380 2.434 10 0 CEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000184165706 520595970 /nfs/dbraw/zinc/59/59/70/520595970.db2.gz VNRPGKXKZYKXFS-HNNXBMFYSA-N 1 2 276.380 2.434 10 0 CEAELO CCOc1cc(-c2nc(N)cc(CC)[nH+]2)ccc1O ZINC000050866894 520613769 /nfs/dbraw/zinc/61/37/69/520613769.db2.gz LNRVUGQAOKNBHJ-UHFFFAOYSA-N 1 2 259.309 2.393 10 0 CEAELO CCCCOC[C@]([NH2+]C(C)C)(C(=O)OC)C1CC1 ZINC000069198067 520809636 /nfs/dbraw/zinc/80/96/36/520809636.db2.gz YOEGRQIEXGYNNY-CQSZACIVSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@@H](CCOc1cc(C)ccc1C)[NH2+]C ZINC000062549306 521059340 /nfs/dbraw/zinc/05/93/40/521059340.db2.gz OJYFHGLGTHSTFP-CYBMUJFWSA-N 1 2 265.353 2.223 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccc(O)cc1 ZINC000049368006 521210618 /nfs/dbraw/zinc/21/06/18/521210618.db2.gz IXZHAYHRHNRHNZ-GWCFXTLKSA-N 1 2 251.326 2.385 10 0 CEAELO CCOC(=O)[C@](C)(C[NH+]1Cc2ccccc2C1)NC1CC1 ZINC000050912224 521319849 /nfs/dbraw/zinc/31/98/49/521319849.db2.gz 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/nfs/dbraw/zinc/59/55/36/344595536.db2.gz NACWQJOMIMVPLA-UHFFFAOYSA-N 1 2 257.135 2.033 10 0 CEAELO OC[C@H]1CCC[N@H+](Cc2coc(Br)c2)C1 ZINC000306676754 344716295 /nfs/dbraw/zinc/71/62/95/344716295.db2.gz WYWAOFBRPWHSDV-VIFPVBQESA-N 1 2 274.158 2.246 10 0 CEAELO OC[C@H]1CCC[N@@H+](Cc2coc(Br)c2)C1 ZINC000306676754 344716296 /nfs/dbraw/zinc/71/62/96/344716296.db2.gz WYWAOFBRPWHSDV-VIFPVBQESA-N 1 2 274.158 2.246 10 0 CEAELO Cc1csc([C@H]2C[N@H+](Cc3cn(C)nc3C)CCO2)n1 ZINC000092789747 232183474 /nfs/dbraw/zinc/18/34/74/232183474.db2.gz VOJBOPFIJWYVEQ-CYBMUJFWSA-N 1 2 292.408 2.067 10 0 CEAELO Cc1csc([C@H]2C[N@@H+](Cc3cn(C)nc3C)CCO2)n1 ZINC000092789747 232183476 /nfs/dbraw/zinc/18/34/76/232183476.db2.gz VOJBOPFIJWYVEQ-CYBMUJFWSA-N 1 2 292.408 2.067 10 0 CEAELO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)OC)C1(C)C ZINC000085382293 179045838 /nfs/dbraw/zinc/04/58/38/179045838.db2.gz ZCSQVENPKCZDFP-RWMBFGLXSA-N 1 2 271.401 2.367 10 0 CEAELO C[NH2+][C@@](COc1cc(C)ccc1F)(C(=O)OC)C1CC1 ZINC000085561815 179094594 /nfs/dbraw/zinc/09/45/94/179094594.db2.gz RZPGBVHLRLRNFT-OAHLLOKOSA-N 1 2 281.327 2.054 10 0 CEAELO [NH3+]Cc1ccccc1NS(=O)(=O)c1cccs1 ZINC000085810695 179177913 /nfs/dbraw/zinc/17/79/13/179177913.db2.gz XQNJXQGTGFZCAV-UHFFFAOYSA-N 1 2 268.363 2.008 10 0 CEAELO CCOC(=O)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]32)s1 ZINC000602793337 347200905 /nfs/dbraw/zinc/20/09/05/347200905.db2.gz QJJXAESBOZMPPR-GXSJLCMTSA-N 1 2 266.366 2.304 10 0 CEAELO CCOC(=O)c1ncc(C[N@H+]2C[C@@H]3CCC[C@H]32)s1 ZINC000602793337 347200907 /nfs/dbraw/zinc/20/09/07/347200907.db2.gz QJJXAESBOZMPPR-GXSJLCMTSA-N 1 2 266.366 2.304 10 0 CEAELO [NH3+][C@]1(c2nc([C@@H]3CCCc4ccccc43)no2)CCOC1 ZINC000085852480 179188574 /nfs/dbraw/zinc/18/85/74/179188574.db2.gz SBPDSFAPCWJKPK-CZUORRHYSA-N 1 2 285.347 2.112 10 0 CEAELO Brc1csc(NCc2[nH]cc[nH+]2)n1 ZINC000086290034 179264283 /nfs/dbraw/zinc/26/42/83/179264283.db2.gz DKBDBVONISIFDS-UHFFFAOYSA-N 1 2 259.132 2.241 10 0 CEAELO CCn1cc[nH+]c1C[S@@](=O)Cc1nc(C)c(C)s1 ZINC000086969382 179370842 /nfs/dbraw/zinc/37/08/42/179370842.db2.gz HZISGWOLZSYEJF-SFHVURJKSA-N 1 2 283.422 2.425 10 0 CEAELO Fc1cc(F)c(-c2nc(C[NH2+]C3CC3)no2)c(F)c1 ZINC000086998685 179377865 /nfs/dbraw/zinc/37/78/65/179377865.db2.gz QXUBXSJTTWKSMW-UHFFFAOYSA-N 1 2 269.226 2.406 10 0 CEAELO CCOC(=O)N1CCC[C@@H](c2cccc(N)[nH+]2)CC1 ZINC000616628305 348539597 /nfs/dbraw/zinc/53/95/97/348539597.db2.gz PPKGLNPHUQIYDP-LLVKDONJSA-N 1 2 263.341 2.390 10 0 CEAELO CCOC(=O)c1ccccc1[C@@H]1COCC[N@@H+]1CC ZINC000616641750 348544780 /nfs/dbraw/zinc/54/47/80/348544780.db2.gz OQFPEHRZSXKKLL-AWEZNQCLSA-N 1 2 263.337 2.257 10 0 CEAELO CCOC(=O)c1ccccc1[C@@H]1COCC[N@H+]1CC ZINC000616641750 348544782 /nfs/dbraw/zinc/54/47/82/348544782.db2.gz OQFPEHRZSXKKLL-AWEZNQCLSA-N 1 2 263.337 2.257 10 0 CEAELO CC(C)[N@@H+]1CCOC[C@H]1c1cc2ccccc2nn1 ZINC000616641607 348544879 /nfs/dbraw/zinc/54/48/79/348544879.db2.gz KSEGZUMGUIRSTN-HNNXBMFYSA-N 1 2 257.337 2.412 10 0 CEAELO CC(C)[N@H+]1CCOC[C@H]1c1cc2ccccc2nn1 ZINC000616641607 348544882 /nfs/dbraw/zinc/54/48/82/348544882.db2.gz KSEGZUMGUIRSTN-HNNXBMFYSA-N 1 2 257.337 2.412 10 0 CEAELO NC(=O)N1c2ccccc2CC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616592692 348527809 /nfs/dbraw/zinc/52/78/09/348527809.db2.gz FZZCMLLGXYBZOB-CYBMUJFWSA-N 1 2 268.320 2.067 10 0 CEAELO CC(C)(C)OC(=O)N1CCOCC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616659268 348551055 /nfs/dbraw/zinc/55/10/55/348551055.db2.gz OXBVPDZULGCCCW-GFCCVEGCSA-N 1 2 293.367 2.193 10 0 CEAELO NC(=O)N1c2ccccc2CC[C@@H]1c1ccc[nH+]c1N ZINC000616667516 348555409 /nfs/dbraw/zinc/55/54/09/348555409.db2.gz CPWCKYZEHZLOOW-CYBMUJFWSA-N 1 2 268.320 2.236 10 0 CEAELO COC(=O)N1C[C@H](c2[nH]cc[nH+]2)Cc2ccccc21 ZINC000616670745 348556173 /nfs/dbraw/zinc/55/61/73/348556173.db2.gz OOPGRKXVSIQSNA-LLVKDONJSA-N 1 2 257.293 2.322 10 0 CEAELO CC[C@@H]([NH2+]Cc1cc(C)nn1C)c1nccs1 ZINC000089184235 179746480 /nfs/dbraw/zinc/74/64/80/179746480.db2.gz UHAVIQMGNLEFBA-LLVKDONJSA-N 1 2 250.371 2.426 10 0 CEAELO Cc1ccc2c(c1)C[C@H](COc1ccc[nH+]c1N)O2 ZINC000090896740 180057241 /nfs/dbraw/zinc/05/72/41/180057241.db2.gz OIKAVUVLYBCJQZ-GFCCVEGCSA-N 1 2 256.305 2.355 10 0 CEAELO CC[C@H](C)[C@H]([NH2+]Cc1c[nH]c2ncccc12)C(=O)OC ZINC000091016687 180086922 /nfs/dbraw/zinc/08/69/22/180086922.db2.gz KHBXSUMGALMZCL-GWCFXTLKSA-N 1 2 275.352 2.240 10 0 CEAELO CCc1nnc(C[N@H+](C)CCc2ccccc2OC)n1C ZINC000104711421 186018054 /nfs/dbraw/zinc/01/80/54/186018054.db2.gz VHOYCOBPZTXBKX-UHFFFAOYSA-N 1 2 288.395 2.061 10 0 CEAELO CCc1nnc(C[N@@H+](C)CCc2ccccc2OC)n1C ZINC000104711421 186018055 /nfs/dbraw/zinc/01/80/55/186018055.db2.gz VHOYCOBPZTXBKX-UHFFFAOYSA-N 1 2 288.395 2.061 10 0 CEAELO CCn1nc(C)cc1C[C@H](O)c1c[nH+]cn1C(C)C ZINC000091273335 180117970 /nfs/dbraw/zinc/11/79/70/180117970.db2.gz GLDQUUGDEAYKTR-AWEZNQCLSA-N 1 2 262.357 2.265 10 0 CEAELO CC(C)n1c[nH+]cc1[C@@H](Nc1ccccc1)C(N)=O ZINC000091272564 180117975 /nfs/dbraw/zinc/11/79/75/180117975.db2.gz KKXBSECSZHEKRD-CYBMUJFWSA-N 1 2 258.325 2.103 10 0 CEAELO COc1ccc([C@@H](O)c2c[nH+]cn2C2CC2)cc1F ZINC000091277579 180119862 /nfs/dbraw/zinc/11/98/62/180119862.db2.gz JGZZRZLQMLZXRT-CQSZACIVSA-N 1 2 262.284 2.447 10 0 CEAELO CC1CCC(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000091565518 180193663 /nfs/dbraw/zinc/19/36/63/180193663.db2.gz LGIXSXKNCQPWQQ-UHFFFAOYSA-N 1 2 253.386 2.493 10 0 CEAELO CC[C@](C)([C@@H](O)c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000091611048 180206263 /nfs/dbraw/zinc/20/62/63/180206263.db2.gz ODNMDOMIHLYICZ-LSDHHAIUSA-N 1 2 285.334 2.499 10 0 CEAELO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC000105280847 186049962 /nfs/dbraw/zinc/04/99/62/186049962.db2.gz FTRNPGMRRXKWMU-NSHDSACASA-N 1 2 297.786 2.101 10 0 CEAELO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC000105280847 186049963 /nfs/dbraw/zinc/04/99/63/186049963.db2.gz FTRNPGMRRXKWMU-NSHDSACASA-N 1 2 297.786 2.101 10 0 CEAELO C[NH+](C)Cc1noc(-c2cccc3c2CCCN3)n1 ZINC000091685017 180225877 /nfs/dbraw/zinc/22/58/77/180225877.db2.gz AAEAKHYEJUCTBL-UHFFFAOYSA-N 1 2 258.325 2.156 10 0 CEAELO O=C(c1ccc(F)cc1F)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714176 180231607 /nfs/dbraw/zinc/23/16/07/180231607.db2.gz ZCFTYQFWYAAMFF-MFKMUULPSA-N 1 2 267.275 2.011 10 0 CEAELO O=C(c1ccc(F)cc1F)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091714176 180231609 /nfs/dbraw/zinc/23/16/09/180231609.db2.gz ZCFTYQFWYAAMFF-MFKMUULPSA-N 1 2 267.275 2.011 10 0 CEAELO Nc1[nH+]cnc2c1cnn2-c1ccc(Cl)c(F)c1 ZINC000091947194 180290546 /nfs/dbraw/zinc/29/05/46/180290546.db2.gz BEXKJMADYBRQFH-UHFFFAOYSA-N 1 2 263.663 2.190 10 0 CEAELO Cc1cccc(SCC[NH+]2CCOCC2)c1N ZINC000091944857 180290914 /nfs/dbraw/zinc/29/09/14/180290914.db2.gz IJOSUKYXOLAQQD-UHFFFAOYSA-N 1 2 252.383 2.002 10 0 CEAELO C[N@@H+]1CCO[C@@H](COc2ccc3ccccc3c2C=O)C1 ZINC000092056989 180314677 /nfs/dbraw/zinc/31/46/77/180314677.db2.gz APSOPDHIGVTCSU-CQSZACIVSA-N 1 2 285.343 2.362 10 0 CEAELO C[N@H+]1CCO[C@@H](COc2ccc3ccccc3c2C=O)C1 ZINC000092056989 180314678 /nfs/dbraw/zinc/31/46/78/180314678.db2.gz APSOPDHIGVTCSU-CQSZACIVSA-N 1 2 285.343 2.362 10 0 CEAELO CC1=NN(c2cc(F)c(F)c(F)c2)C(=O)[C@@H]1CCC[NH3+] ZINC000092150484 180334027 /nfs/dbraw/zinc/33/40/27/180334027.db2.gz BSVALJFKQPMRIY-SECBINFHSA-N 1 2 285.269 2.182 10 0 CEAELO CCOC(=O)C[N@H+](C)C[C@H]1Cc2ccccc2S1 ZINC000092270218 180356006 /nfs/dbraw/zinc/35/60/06/180356006.db2.gz BADYDXXZFJWBGT-GFCCVEGCSA-N 1 2 265.378 2.198 10 0 CEAELO CCOC(=O)C[N@@H+](C)C[C@H]1Cc2ccccc2S1 ZINC000092270218 180356007 /nfs/dbraw/zinc/35/60/07/180356007.db2.gz BADYDXXZFJWBGT-GFCCVEGCSA-N 1 2 265.378 2.198 10 0 CEAELO CCNc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cn1 ZINC000092366207 180368840 /nfs/dbraw/zinc/36/88/40/180368840.db2.gz BWARYRQRIOGOGJ-UHFFFAOYSA-N 1 2 256.309 2.469 10 0 CEAELO Nc1cccc(CN2CCOc3ccccc3C2)[nH+]1 ZINC000092370658 180370307 /nfs/dbraw/zinc/37/03/07/180370307.db2.gz SMRMZCWRSKRVPP-UHFFFAOYSA-N 1 2 255.321 2.058 10 0 CEAELO CCC[C@H]1C(=O)NC(=O)C[C@H]1c1c[nH+]cn1C(C)C ZINC000092683290 180428837 /nfs/dbraw/zinc/42/88/37/180428837.db2.gz VHGLGCHWVSXCQR-GHMZBOCLSA-N 1 2 263.341 2.010 10 0 CEAELO CCc1nc2n(n1)C[C@H](Nc1cc[nH+]c(C(C)C)n1)CC2 ZINC000110578980 186303197 /nfs/dbraw/zinc/30/31/97/186303197.db2.gz ICZKANIGVOUQJS-LLVKDONJSA-N 1 2 286.383 2.181 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)c1cc(N)cn1C1CC1 ZINC000111043006 186347603 /nfs/dbraw/zinc/34/76/03/186347603.db2.gz ITWPPPSAXPQTFI-UHFFFAOYSA-N 1 2 256.309 2.361 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)c1cccc(C(N)=S)c1 ZINC000111043778 186347688 /nfs/dbraw/zinc/34/76/88/186347688.db2.gz BBIRGBKUBLKLTG-UHFFFAOYSA-N 1 2 271.345 2.277 10 0 CEAELO CNc1nc(NCCCCOC)[nH+]cc1Br ZINC000131520143 366061698 /nfs/dbraw/zinc/06/16/98/366061698.db2.gz UTKGMSZNGDBCKW-UHFFFAOYSA-N 1 2 289.177 2.119 10 0 CEAELO CC(C)c1nsc(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000630556958 351784968 /nfs/dbraw/zinc/78/49/68/351784968.db2.gz MUJIOCUZVPBBGI-MGCOHNPYSA-N 1 2 254.403 2.013 10 0 CEAELO Cc1cc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)ccc1F ZINC000122226082 187021761 /nfs/dbraw/zinc/02/17/61/187021761.db2.gz KGDDXEBKTNJAIF-OAHLLOKOSA-N 1 2 289.354 2.232 10 0 CEAELO Cc1cc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)ccc1F ZINC000122226082 187021762 /nfs/dbraw/zinc/02/17/62/187021762.db2.gz KGDDXEBKTNJAIF-OAHLLOKOSA-N 1 2 289.354 2.232 10 0 CEAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000122653955 187043684 /nfs/dbraw/zinc/04/36/84/187043684.db2.gz UPHVQKBHLWYYSU-HNNXBMFYSA-N 1 2 291.420 2.462 10 0 CEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000122653955 187043685 /nfs/dbraw/zinc/04/36/85/187043685.db2.gz UPHVQKBHLWYYSU-HNNXBMFYSA-N 1 2 291.420 2.462 10 0 CEAELO CC(C)c1nc([C@H]2CCC[N@@H+]2CCC2OCCO2)no1 ZINC000124046241 187119958 /nfs/dbraw/zinc/11/99/58/187119958.db2.gz LWGCIKGWHGMKML-LLVKDONJSA-N 1 2 281.356 2.093 10 0 CEAELO CC(C)c1nc([C@H]2CCC[N@H+]2CCC2OCCO2)no1 ZINC000124046241 187119959 /nfs/dbraw/zinc/11/99/59/187119959.db2.gz LWGCIKGWHGMKML-LLVKDONJSA-N 1 2 281.356 2.093 10 0 CEAELO COc1cccc([C@H](C)[NH2+]Cc2nnnn2C(C)C)c1 ZINC000341230181 215882511 /nfs/dbraw/zinc/88/25/11/215882511.db2.gz RFHVSISPNURPPI-NSHDSACASA-N 1 2 275.356 2.113 10 0 CEAELO Cc1cc(OCC[N@@H+]2CCOC[C@@H]2CO)ccc1C(C)C ZINC000168790959 540432524 /nfs/dbraw/zinc/43/25/24/540432524.db2.gz FBYIZRXWDRESSY-HNNXBMFYSA-N 1 2 293.407 2.190 10 0 CEAELO Cc1cc(OCC[N@H+]2CCOC[C@@H]2CO)ccc1C(C)C ZINC000168790959 540432528 /nfs/dbraw/zinc/43/25/28/540432528.db2.gz FBYIZRXWDRESSY-HNNXBMFYSA-N 1 2 293.407 2.190 10 0 CEAELO Cc1cccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177810103 189071516 /nfs/dbraw/zinc/07/15/16/189071516.db2.gz DUOGNBMZQXFAPS-OAHLLOKOSA-N 1 2 269.348 2.496 10 0 CEAELO CCn1c(C)nnc1C[N@H+](CC)CCc1nccs1 ZINC000179038214 189164081 /nfs/dbraw/zinc/16/40/81/189164081.db2.gz HPMNGUCKMAMUMB-UHFFFAOYSA-N 1 2 279.413 2.128 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](CC)CCc1nccs1 ZINC000179038214 189164082 /nfs/dbraw/zinc/16/40/82/189164082.db2.gz HPMNGUCKMAMUMB-UHFFFAOYSA-N 1 2 279.413 2.128 10 0 CEAELO Cn1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cn1 ZINC000082279453 363757561 /nfs/dbraw/zinc/75/75/61/363757561.db2.gz NURUCZKJQONVCF-UHFFFAOYSA-N 1 2 267.292 2.063 10 0 CEAELO c1cn(C[C@@H]2CCCN2c2nc(C3CC3)ns2)c[nH+]1 ZINC000301948622 201272374 /nfs/dbraw/zinc/27/23/74/201272374.db2.gz FIICEWAJNXVOTP-NSHDSACASA-N 1 2 275.381 2.281 10 0 CEAELO Cc1nc(NCC(=O)Nc2ccccn2)c2c([nH+]1)CCCC2 ZINC000302058997 201324173 /nfs/dbraw/zinc/32/41/73/201324173.db2.gz AYLQQCZLGXGLBL-UHFFFAOYSA-N 1 2 297.362 2.109 10 0 CEAELO Cc1cc(C)c(C(=O)NC[C@H](C)[NH+]2CCOCC2)c(C)c1 ZINC000090167663 364044904 /nfs/dbraw/zinc/04/49/04/364044904.db2.gz NHJVFOVKYNBCAU-HNNXBMFYSA-N 1 2 290.407 2.062 10 0 CEAELO COC(=O)c1ccc(CNc2ccc([NH+](C)C)cc2)[nH]1 ZINC000093084463 364137770 /nfs/dbraw/zinc/13/77/70/364137770.db2.gz VBUXXCVHRYBGGP-UHFFFAOYSA-N 1 2 273.336 2.479 10 0 CEAELO Cc1noc([C@@H]2COCC[N@@H+]2CC2CCCCC2)n1 ZINC000158520641 366857249 /nfs/dbraw/zinc/85/72/49/366857249.db2.gz LDSOIOKZGXEMEJ-ZDUSSCGKSA-N 1 2 265.357 2.332 10 0 CEAELO Cc1noc([C@@H]2COCC[N@H+]2CC2CCCCC2)n1 ZINC000158520641 366857252 /nfs/dbraw/zinc/85/72/52/366857252.db2.gz LDSOIOKZGXEMEJ-ZDUSSCGKSA-N 1 2 265.357 2.332 10 0 CEAELO C[C@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccc2ccccc2c1 ZINC000102686851 364606402 /nfs/dbraw/zinc/60/64/02/364606402.db2.gz MTUBBHGZIJBZBC-JTQLQIEISA-N 1 2 294.362 2.040 10 0 CEAELO CC[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000114321979 364936261 /nfs/dbraw/zinc/93/62/61/364936261.db2.gz WODDBVAOLUSOBB-JKSUJKDBSA-N 1 2 296.455 2.430 10 0 CEAELO CC[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000114321979 364936266 /nfs/dbraw/zinc/93/62/66/364936266.db2.gz WODDBVAOLUSOBB-JKSUJKDBSA-N 1 2 296.455 2.430 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](CCC)C(=O)OCC)C1 ZINC000114802505 364967061 /nfs/dbraw/zinc/96/70/61/364967061.db2.gz INRDOGOYVULIKF-KBPBESRZSA-N 1 2 298.427 2.099 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](CCC)C(=O)OCC)C1 ZINC000114802505 364967066 /nfs/dbraw/zinc/96/70/66/364967066.db2.gz INRDOGOYVULIKF-KBPBESRZSA-N 1 2 298.427 2.099 10 0 CEAELO CCc1ccsc1C(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117290854 365101857 /nfs/dbraw/zinc/10/18/57/365101857.db2.gz 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286.379 2.249 10 0 CEAELO CCc1cccc(C[N@@H+]2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000189449680 153092935 /nfs/dbraw/zinc/09/29/35/153092935.db2.gz COVXVDROMQXFOC-HNNXBMFYSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1cccc(C[N@H+]2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000189449680 153092938 /nfs/dbraw/zinc/09/29/38/153092938.db2.gz COVXVDROMQXFOC-HNNXBMFYSA-N 1 2 286.379 2.249 10 0 CEAELO CCn1cc([C@H]2C[N@H+](CCOC(C)(C)C)CCO2)cn1 ZINC000190796618 153143008 /nfs/dbraw/zinc/14/30/08/153143008.db2.gz BNIIRRITYMYVEK-CQSZACIVSA-N 1 2 281.400 2.091 10 0 CEAELO CCn1cc([C@H]2C[N@@H+](CCOC(C)(C)C)CCO2)cn1 ZINC000190796618 153143012 /nfs/dbraw/zinc/14/30/12/153143012.db2.gz BNIIRRITYMYVEK-CQSZACIVSA-N 1 2 281.400 2.091 10 0 CEAELO O[C@H](CC1CCCC1)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000191328764 153168238 /nfs/dbraw/zinc/16/82/38/153168238.db2.gz XXYFVPGJQCWQAU-KGLIPLIRSA-N 1 2 296.436 2.458 10 0 CEAELO O[C@H](CC1CCCC1)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000191328764 153168240 /nfs/dbraw/zinc/16/82/40/153168240.db2.gz 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CCc1nc(C2([NH2+]CCOCC3CC3)CCCC2)no1 ZINC000173690363 165079319 /nfs/dbraw/zinc/07/93/19/165079319.db2.gz HUWZDZSYTPJXCC-UHFFFAOYSA-N 1 2 279.384 2.418 10 0 CEAELO CCc1nc([C@H]2C[N@H+](CCC(C)(C)C)CCO2)n[nH]1 ZINC000173688915 165080479 /nfs/dbraw/zinc/08/04/79/165080479.db2.gz IBPGUUMRXULKLK-LLVKDONJSA-N 1 2 266.389 2.177 10 0 CEAELO CCc1nc([C@H]2C[N@@H+](CCC(C)(C)C)CCO2)n[nH]1 ZINC000173688915 165080483 /nfs/dbraw/zinc/08/04/83/165080483.db2.gz IBPGUUMRXULKLK-LLVKDONJSA-N 1 2 266.389 2.177 10 0 CEAELO C[C@H](NC(=O)[C@@H]1CCCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173946871 165090267 /nfs/dbraw/zinc/09/02/67/165090267.db2.gz ZRWKNQYVYAPFFU-DZGCQCFKSA-N 1 2 299.374 2.476 10 0 CEAELO CCCCCC(C)(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000177628797 165203355 /nfs/dbraw/zinc/20/33/55/165203355.db2.gz ORJKGRIZHVHRKR-ZDUSSCGKSA-N 1 2 270.417 2.040 10 0 CEAELO CCCCCC(C)(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000177628797 165203357 /nfs/dbraw/zinc/20/33/57/165203357.db2.gz ORJKGRIZHVHRKR-ZDUSSCGKSA-N 1 2 270.417 2.040 10 0 CEAELO Cc1nc([C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)n[nH]1 ZINC000180118799 165295555 /nfs/dbraw/zinc/29/55/55/165295555.db2.gz OUICQBXTFGLVMK-HNNXBMFYSA-N 1 2 297.362 2.168 10 0 CEAELO Cc1nc([C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)n[nH]1 ZINC000180118799 165295557 /nfs/dbraw/zinc/29/55/57/165295557.db2.gz OUICQBXTFGLVMK-HNNXBMFYSA-N 1 2 297.362 2.168 10 0 CEAELO Cc1nnc([C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)CCO2)[nH]1 ZINC000180114863 165297282 /nfs/dbraw/zinc/29/72/82/165297282.db2.gz QOHKEIRWLBBULX-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nnc([C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)CCO2)[nH]1 ZINC000180114863 165297284 /nfs/dbraw/zinc/29/72/84/165297284.db2.gz QOHKEIRWLBBULX-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)CCO2)n[nH]1 ZINC000180114863 165297286 /nfs/dbraw/zinc/29/72/86/165297286.db2.gz QOHKEIRWLBBULX-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)CCO2)n[nH]1 ZINC000180114863 165297288 /nfs/dbraw/zinc/29/72/88/165297288.db2.gz QOHKEIRWLBBULX-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO CCCCC[C@@H](CC)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000180107327 165298377 /nfs/dbraw/zinc/29/83/77/165298377.db2.gz QQYGMAJLDGHYBF-KGLIPLIRSA-N 1 2 270.417 2.040 10 0 CEAELO CCCCC[C@@H](CC)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000180107327 165298381 /nfs/dbraw/zinc/29/83/81/165298381.db2.gz QQYGMAJLDGHYBF-KGLIPLIRSA-N 1 2 270.417 2.040 10 0 CEAELO Cc1cc(NCCc2nnc3n2CCCC3)nc(C2CC2)[nH+]1 ZINC000182582781 165375723 /nfs/dbraw/zinc/37/57/23/165375723.db2.gz BHFOEQLMJFRLQU-UHFFFAOYSA-N 1 2 298.394 2.245 10 0 CEAELO C[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)[C@@H]1CCCO1 ZINC000183121335 165386033 /nfs/dbraw/zinc/38/60/33/165386033.db2.gz UTKQUIVYESINBH-ONGXEEELSA-N 1 2 279.365 2.455 10 0 CEAELO c1ccc2c(c1)nnn2C[C@H]1[NH+]=CNc2ccccc21 ZINC000005517697 170106951 /nfs/dbraw/zinc/10/69/51/170106951.db2.gz BVJDTROXYNIORW-CQSZACIVSA-N 1 2 263.304 2.436 10 0 CEAELO CC(C)n1nc(-c2cccc(O)c2)c2c1nc[nH+]c2N ZINC000008581890 170341639 /nfs/dbraw/zinc/34/16/39/170341639.db2.gz MWYBBCLGEHZSCP-UHFFFAOYSA-N 1 2 269.308 2.362 10 0 in-vivo CEAELO [NH3+]Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000020188932 171054882 /nfs/dbraw/zinc/05/48/82/171054882.db2.gz NIFRDDFROHDGQI-UHFFFAOYSA-N 1 2 280.324 2.085 10 0 CEAELO C[C@H](C(=O)c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000037332376 173133107 /nfs/dbraw/zinc/13/31/07/173133107.db2.gz QJGJMWXAEOTXQR-SECBINFHSA-N 1 2 272.801 2.220 10 0 CEAELO CC[C@@H](C)C[N@H+](C)CC(=O)c1ccc(O)cc1O ZINC000037336997 173137993 /nfs/dbraw/zinc/13/79/93/173137993.db2.gz SVKQXIUEXVYIDC-SNVBAGLBSA-N 1 2 251.326 2.258 10 0 CEAELO CC[C@@H](C)C[N@@H+](C)CC(=O)c1ccc(O)cc1O ZINC000037336997 173137995 /nfs/dbraw/zinc/13/79/95/173137995.db2.gz SVKQXIUEXVYIDC-SNVBAGLBSA-N 1 2 251.326 2.258 10 0 CEAELO COC1CC[NH+](CC(=O)c2ccc(C)s2)CC1 ZINC000037337352 173138798 /nfs/dbraw/zinc/13/87/98/173138798.db2.gz PIGJQQIPSRMTKE-UHFFFAOYSA-N 1 2 253.367 2.350 10 0 CEAELO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(C)no1)CCO2 ZINC000038034006 174032099 /nfs/dbraw/zinc/03/20/99/174032099.db2.gz GQQIXPXWSVDPLD-LBPRGKRZSA-N 1 2 275.308 2.000 10 0 CEAELO CO[C@H]1C[NH2+][C@@H](c2nc(C)c(-c3ccccc3)[nH]2)C1 ZINC000040637910 174361802 /nfs/dbraw/zinc/36/18/02/174361802.db2.gz PKQUYUGRFRXHGZ-CHWSQXEVSA-N 1 2 257.337 2.435 10 0 CEAELO Nc1c(NCc2ccccc2)nc[nH+]c1N1CCCC1 ZINC000040709212 174380552 /nfs/dbraw/zinc/38/05/52/174380552.db2.gz UDCSJCDFCOOFNI-UHFFFAOYSA-N 1 2 269.352 2.271 10 0 CEAELO COc1ccc(Cl)c(NCC[NH+]2CCOCC2)c1 ZINC000043317878 175005185 /nfs/dbraw/zinc/00/51/85/175005185.db2.gz GWSJCLBMNSDPQF-UHFFFAOYSA-N 1 2 270.760 2.093 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000043637882 175083650 /nfs/dbraw/zinc/08/36/50/175083650.db2.gz GFOSXSGGGWWWRI-OLZOCXBDSA-N 1 2 265.353 2.304 10 0 CEAELO Cc1c(C)n(Cc2ccnc(C)n2)c2nc(C)[nH+]c(N)c12 ZINC000045006757 175288124 /nfs/dbraw/zinc/28/81/24/175288124.db2.gz DXEUPXZINZCXRT-UHFFFAOYSA-N 1 2 282.351 2.085 10 0 CEAELO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)c2nncn2C)c1C ZINC000045170562 175320598 /nfs/dbraw/zinc/32/05/98/175320598.db2.gz VRNZKCWANSKIJE-ONGXEEELSA-N 1 2 276.388 2.060 10 0 CEAELO CCOC(=O)[C@](C)(CCN(C)c1ccccc1)[NH2+]C ZINC000045227700 175333260 /nfs/dbraw/zinc/33/32/60/175333260.db2.gz FPNWQIOSHKANDQ-HNNXBMFYSA-N 1 2 264.369 2.054 10 0 CEAELO CCC[NH2+][C@@](C)(CN(C)c1ccccc1)C(=O)OC ZINC000045227593 175333522 /nfs/dbraw/zinc/33/35/22/175333522.db2.gz VBYHFXPYQGZVJQ-HNNXBMFYSA-N 1 2 264.369 2.054 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231094 175334800 /nfs/dbraw/zinc/33/48/00/175334800.db2.gz OGLJVQQRPJZCRI-AWEZNQCLSA-N 1 2 256.390 2.092 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231094 175334802 /nfs/dbraw/zinc/33/48/02/175334802.db2.gz OGLJVQQRPJZCRI-AWEZNQCLSA-N 1 2 256.390 2.092 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231710 175335372 /nfs/dbraw/zinc/33/53/72/175335372.db2.gz KIRSVTIHLUWVJE-OBJOEFQTSA-N 1 2 256.390 2.091 10 0 CEAELO CCCC[N@H+](C[C@@](C)([NH2+]CC)C(=O)[O-])[C@@H](C)CC ZINC000045282497 175352712 /nfs/dbraw/zinc/35/27/12/175352712.db2.gz VWVLGXBRYFJGKG-GXTWGEPZSA-N 1 2 258.406 2.340 10 0 CEAELO CCCC[N@@H+](C[C@@](C)([NH2+]CC)C(=O)[O-])[C@@H](C)CC ZINC000045282497 175352713 /nfs/dbraw/zinc/35/27/13/175352713.db2.gz VWVLGXBRYFJGKG-GXTWGEPZSA-N 1 2 258.406 2.340 10 0 CEAELO CCC[NH2+][C@@H](CN(CC(F)(F)F)C(C)C)C(=O)OCC ZINC000045420465 175378808 /nfs/dbraw/zinc/37/88/08/175378808.db2.gz BKEBTBXSMOMFET-NSHDSACASA-N 1 2 298.349 2.190 10 0 CEAELO O=[S@@]1CC[NH2+][C@H](c2ccc(Cl)cc2Cl)C1 ZINC000070674525 176000568 /nfs/dbraw/zinc/00/05/68/176000568.db2.gz SVIXEFBFUJODCM-BONVTDFDSA-N 1 2 264.177 2.386 10 0 CEAELO COC(=O)[C@H]([NH2+]C[C@H]1OCCc2ccccc21)C(C)C ZINC000071090633 176031191 /nfs/dbraw/zinc/03/11/91/176031191.db2.gz KYPAPNAVUYWUPU-HUUCEWRRSA-N 1 2 277.364 2.088 10 0 CEAELO CCOC(=O)[C@]1([NH2+]CCOC)CCCC[C@@H]1CC ZINC000071162893 176046948 /nfs/dbraw/zinc/04/69/48/176046948.db2.gz IPQDSXRRKDZZBW-JSGCOSHPSA-N 1 2 257.374 2.125 10 0 CEAELO Cc1ncsc1CNc1cc[nH+]c(C(N)=S)c1 ZINC000071213667 176085423 /nfs/dbraw/zinc/08/54/23/176085423.db2.gz ZYZWYYXQBJLZOG-UHFFFAOYSA-N 1 2 264.379 2.093 10 0 CEAELO C[C@H](C[NH2+]CCCCCC(=O)[O-])[NH+]1CCCCC1 ZINC000071293966 176111629 /nfs/dbraw/zinc/11/16/29/176111629.db2.gz NTCFWACXNHFSCT-CYBMUJFWSA-N 1 2 256.390 2.095 10 0 CEAELO COC(=O)[C@](C)([NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000071399814 176152152 /nfs/dbraw/zinc/15/21/52/176152152.db2.gz DUECSAQZOMFKNA-UKRRQHHQSA-N 1 2 269.385 2.267 10 0 CEAELO O=C(Cc1ccccc1)NCc1cn2cc(F)ccc2[nH+]1 ZINC000071446293 176175475 /nfs/dbraw/zinc/17/54/75/176175475.db2.gz NJIQXKWZORVJGA-UHFFFAOYSA-N 1 2 283.306 2.332 10 0 CEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H](C2CCCCC2)C1 ZINC000662656317 415920980 /nfs/dbraw/zinc/92/09/80/415920980.db2.gz MNIDGMOCNOWFIN-STQMWFEESA-N 1 2 286.366 2.412 10 0 CEAELO COc1ccc(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)cc1 ZINC000074919821 176634888 /nfs/dbraw/zinc/63/48/88/176634888.db2.gz AQFFKGWHBWGCQE-MRXNPFEDSA-N 1 2 299.374 2.009 10 0 CEAELO CC(C)CCC[C@H](C)NC(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077657862 177291799 /nfs/dbraw/zinc/29/17/99/177291799.db2.gz QDWYPMXYRNRCFX-SOUVJXGZSA-N 1 2 284.444 2.427 10 0 CEAELO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077657862 177291800 /nfs/dbraw/zinc/29/18/00/177291800.db2.gz QDWYPMXYRNRCFX-SOUVJXGZSA-N 1 2 284.444 2.427 10 0 CEAELO C[C@@H]1Oc2c(cccc2C(=O)NCCc2c[nH+]c[nH]2)[C@@H]1C ZINC000078742464 177380441 /nfs/dbraw/zinc/38/04/41/177380441.db2.gz XDRWBRFFGRJSGN-MNOVXSKESA-N 1 2 285.347 2.267 10 0 CEAELO C[C@@H]1Oc2c(cccc2C(=O)NCCc2c[nH]c[nH+]2)[C@@H]1C ZINC000078742464 177380443 /nfs/dbraw/zinc/38/04/43/177380443.db2.gz XDRWBRFFGRJSGN-MNOVXSKESA-N 1 2 285.347 2.267 10 0 CEAELO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000192254511 270277219 /nfs/dbraw/zinc/27/72/19/270277219.db2.gz MXRUCUVCHFSUMY-KGLIPLIRSA-N 1 2 293.411 2.252 10 0 CEAELO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1noc(-c2ccsc2)n1 ZINC000399266152 270368797 /nfs/dbraw/zinc/36/87/97/270368797.db2.gz VNEORTRSLNZXTR-GXSJLCMTSA-N 1 2 279.365 2.143 10 0 CEAELO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1noc(-c2ccsc2)n1 ZINC000399266152 270368799 /nfs/dbraw/zinc/36/87/99/270368799.db2.gz VNEORTRSLNZXTR-GXSJLCMTSA-N 1 2 279.365 2.143 10 0 CEAELO Cn1ncc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000287195130 294534042 /nfs/dbraw/zinc/53/40/42/294534042.db2.gz WBUGTWFUEHUUTJ-ZDUSSCGKSA-N 1 2 272.352 2.207 10 0 CEAELO CCC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1CC[NH3+] ZINC000069506224 519849186 /nfs/dbraw/zinc/84/91/86/519849186.db2.gz CSLRZYQBODQPMG-LBPRGKRZSA-N 1 2 259.353 2.381 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+]1CCC[C@@H]1CC)(C(=O)[O-])C1CC1 ZINC000069088294 520052423 /nfs/dbraw/zinc/05/24/23/520052423.db2.gz MOPKGVUFWSBXRM-DZGCQCFKSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[NH2+][C@@](C[N@H+]1CCC[C@@H]1CC)(C(=O)[O-])C1CC1 ZINC000069088294 520052432 /nfs/dbraw/zinc/05/24/32/520052432.db2.gz MOPKGVUFWSBXRM-DZGCQCFKSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[NH2+][C@](CSCCC)(C(=O)OC)C1CC1 ZINC000069185295 520125960 /nfs/dbraw/zinc/12/59/60/520125960.db2.gz BPPIQCSAGKWOCS-ZDUSSCGKSA-N 1 2 259.415 2.451 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)Sc1cnn(C)c1)C(=O)OCC ZINC000068639968 520147959 /nfs/dbraw/zinc/14/79/59/520147959.db2.gz BNOJCMYZIXZNPS-FZMZJTMJSA-N 1 2 299.440 2.222 10 0 CEAELO CCOC(=O)CC(=O)C[N@H+](Cc1cccs1)C(C)C ZINC000068814392 520588948 /nfs/dbraw/zinc/58/89/48/520588948.db2.gz JNDUFGFAYBHXKI-UHFFFAOYSA-N 1 2 283.393 2.481 10 0 CEAELO CCOC(=O)CC(=O)C[N@@H+](Cc1cccs1)C(C)C ZINC000068814392 520588961 /nfs/dbraw/zinc/58/89/61/520588961.db2.gz JNDUFGFAYBHXKI-UHFFFAOYSA-N 1 2 283.393 2.481 10 0 CEAELO CCC[NH+](CCC)C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069095596 521648143 /nfs/dbraw/zinc/64/81/43/521648143.db2.gz ZSROQCAZTAVIGV-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO C[NH2+][C@](CSc1ccccc1OC)(C(=O)OC)C1CC1 ZINC000069188767 522531370 /nfs/dbraw/zinc/53/13/70/522531370.db2.gz XXYJWARLXPJJRR-HNNXBMFYSA-N 1 2 295.404 2.329 10 0 CEAELO CC(C)c1[nH+]c(-c2ccc3c(c2)OCCCO3)c(N)n1N ZINC000052840018 519858215 /nfs/dbraw/zinc/85/82/15/519858215.db2.gz ARMNYLNIPZEDAN-UHFFFAOYSA-N 1 2 288.351 2.131 10 0 CEAELO CCC[NH2+][C@H](c1ccnn1CCC)c1ncccn1 ZINC000069471284 520090495 /nfs/dbraw/zinc/09/04/95/520090495.db2.gz OMXCVRSJWVUEPE-CYBMUJFWSA-N 1 2 259.357 2.172 10 0 CEAELO CCC[NH2+][C@](C[N@H+]1[C@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096099 520122516 /nfs/dbraw/zinc/12/25/16/520122516.db2.gz SLFTZLSYWJVXPU-ZENOOKHLSA-N 1 2 282.428 2.482 10 0 CEAELO CCC[NH2+][C@](C[N@@H+]1[C@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096099 520122522 /nfs/dbraw/zinc/12/25/22/520122522.db2.gz SLFTZLSYWJVXPU-ZENOOKHLSA-N 1 2 282.428 2.482 10 0 CEAELO CC[NH2+][C@@](CN(C)c1ccccc1F)(C(=O)OC)C1CC1 ZINC000069231453 520151589 /nfs/dbraw/zinc/15/15/89/520151589.db2.gz BKTCGOAZVACNDJ-MRXNPFEDSA-N 1 2 294.370 2.193 10 0 CEAELO CC[NH2+][C@H](CCOc1cccc2cccnc21)C(=O)OC ZINC000062545721 520193304 /nfs/dbraw/zinc/19/33/04/520193304.db2.gz WVPADWBJRDDMHM-CYBMUJFWSA-N 1 2 288.347 2.155 10 0 CEAELO CCCNc1ncccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000050649735 520200812 /nfs/dbraw/zinc/20/08/12/520200812.db2.gz UTJCQWQGLJXZOM-UHFFFAOYSA-N 1 2 292.364 2.099 10 0 CEAELO CC[NH2+][C@](C)(CN(C)c1ccccc1F)C(=O)OCC ZINC000050007998 520231442 /nfs/dbraw/zinc/23/14/42/520231442.db2.gz AFEXIMOEHOWAND-OAHLLOKOSA-N 1 2 282.359 2.193 10 0 CEAELO CC[NH2+][C@](COc1ccc(F)cc1)(C(=O)OC)C1CC1 ZINC000069197514 520251454 /nfs/dbraw/zinc/25/14/54/520251454.db2.gz MOVWUNXKQFOWCX-HNNXBMFYSA-N 1 2 281.327 2.136 10 0 CEAELO CCO[C@@H]1CCC[N@H+](Cc2nc3sccc3c(N)n2)C1 ZINC000050818025 520319682 /nfs/dbraw/zinc/31/96/82/520319682.db2.gz JVOGBDVDTAUCGA-SNVBAGLBSA-N 1 2 292.408 2.274 10 0 CEAELO CCO[C@@H]1CCC[N@@H+](Cc2nc3sccc3c(N)n2)C1 ZINC000050818025 520319692 /nfs/dbraw/zinc/31/96/92/520319692.db2.gz JVOGBDVDTAUCGA-SNVBAGLBSA-N 1 2 292.408 2.274 10 0 CEAELO CCOC(=O)C=C(O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000068813743 520590087 /nfs/dbraw/zinc/59/00/87/520590087.db2.gz CECVXZWEVTXCDK-OCCSQVGLSA-N 1 2 267.369 2.163 10 0 CEAELO CCOC(=O)C=C(O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000068813743 520590100 /nfs/dbraw/zinc/59/01/00/520590100.db2.gz CECVXZWEVTXCDK-OCCSQVGLSA-N 1 2 267.369 2.163 10 0 CEAELO CCOC(=O)[C@@H](CCOCCC(C)C)[NH2+]C1CC1 ZINC000062543975 521059689 /nfs/dbraw/zinc/05/96/89/521059689.db2.gz RTGBVYXAGCNOFF-CYBMUJFWSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@@H](CCn1cnc2cc(C)c(C)cc21)[NH2+]C ZINC000062534624 521061488 /nfs/dbraw/zinc/06/14/88/521061488.db2.gz USHMBSUOOJEPIO-CYBMUJFWSA-N 1 2 289.379 2.194 10 0 CEAELO CCOC(=O)[C@H](CCOc1cccc(OC)c1)[NH2+]C1CC1 ZINC000062548484 521246589 /nfs/dbraw/zinc/24/65/89/521246589.db2.gz DRSQPMXBBHJVNR-HNNXBMFYSA-N 1 2 293.363 2.148 10 0 CEAELO CCOC(=O)[C@H](CCSc1cc(C)nn1C)[NH2+]C(C)C ZINC000062603242 521248455 /nfs/dbraw/zinc/24/84/55/521248455.db2.gz STFAZYWPLAAVIB-LBPRGKRZSA-N 1 2 299.440 2.140 10 0 CEAELO CCOc1cccc(-c2[nH+]c(C(C)C)n(N)c2N)c1 ZINC000052840016 521312976 /nfs/dbraw/zinc/31/29/76/521312976.db2.gz RSIUZAVUYKMULM-UHFFFAOYSA-N 1 2 260.341 2.368 10 0 CEAELO CCC(CC)[N@H+](C)C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069099494 521543204 /nfs/dbraw/zinc/54/32/04/521543204.db2.gz YBSLBICGMMYCEY-HNNXBMFYSA-N 1 2 270.417 2.338 10 0 CEAELO CCC(CC)[N@@H+](C)C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069099494 521543211 /nfs/dbraw/zinc/54/32/11/521543211.db2.gz YBSLBICGMMYCEY-HNNXBMFYSA-N 1 2 270.417 2.338 10 0 CEAELO CCC[N@H+](CC1CC1)C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069131912 521624230 /nfs/dbraw/zinc/62/42/30/521624230.db2.gz COYASPDTIJNPAJ-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[N@@H+](CC1CC1)C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069131912 521624235 /nfs/dbraw/zinc/62/42/35/521624235.db2.gz COYASPDTIJNPAJ-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[NH+](CCC)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069095554 521647766 /nfs/dbraw/zinc/64/77/66/521647766.db2.gz LVWFIMQZNUEYRB-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CCS(=O)(=O)c1ccc(NCc2[nH]c[nH+]c2C)cc1 ZINC000054795144 521689503 /nfs/dbraw/zinc/68/95/03/521689503.db2.gz JWCWHPYAOOWBKP-UHFFFAOYSA-N 1 2 279.365 2.124 10 0 CEAELO C[NH2+][C@H](CCSc1ccc(C)cc1)C(=O)OC ZINC000062598288 522464461 /nfs/dbraw/zinc/46/44/61/522464461.db2.gz YRXSSBWYTPOEMH-GFCCVEGCSA-N 1 2 253.367 2.238 10 0 CEAELO COCCCSC[C@]([NH2+]C(C)C)(C(=O)OC)C1CC1 ZINC000069191536 523442500 /nfs/dbraw/zinc/44/25/00/523442500.db2.gz ODQVVLYHKMWTGM-CQSZACIVSA-N 1 2 289.441 2.076 10 0 CEAELO COC(=O)[C@@H](CCn1c(C)nc2ccccc21)[NH2+]C(C)C ZINC000062534792 523575439 /nfs/dbraw/zinc/57/54/39/523575439.db2.gz UNDJRGBQXNMOMP-CQSZACIVSA-N 1 2 289.379 2.274 10 0 CEAELO CCc1cc(N)nc(-c2ccc3c(c2)OCCO3)[nH+]1 ZINC000050866926 523789755 /nfs/dbraw/zinc/78/97/55/523789755.db2.gz QSWUPFCLEHKMPB-UHFFFAOYSA-N 1 2 257.293 2.059 10 0 CEAELO COC(=O)[C@H](CCOc1cc(F)cc(F)c1)[NH2+]C(C)C ZINC000062596265 523899972 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OC[C@@H]1CC[N@H+](Cc2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000051887495 527591851 /nfs/dbraw/zinc/59/18/51/527591851.db2.gz ZOIJTUHXMKRHPT-SNVBAGLBSA-N 1 2 293.754 2.204 10 0 CEAELO OC[C@@H]1CC[N@@H+](Cc2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000051887495 527591856 /nfs/dbraw/zinc/59/18/56/527591856.db2.gz ZOIJTUHXMKRHPT-SNVBAGLBSA-N 1 2 293.754 2.204 10 0 CEAELO CCn1cc[nH+]c1Cn1ccnc1[C@@H](O)c1ccccc1 ZINC000154790133 640981907 /nfs/dbraw/zinc/98/19/07/640981907.db2.gz NELAKEUAJYNYSG-HNNXBMFYSA-N 1 2 282.347 2.230 10 0 CEAELO CCCCCNC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121816862 365619011 /nfs/dbraw/zinc/61/90/11/365619011.db2.gz KUTPYASREIUQSJ-CQSZACIVSA-N 1 2 278.400 2.243 10 0 CEAELO CCCCCNC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121816862 365619015 /nfs/dbraw/zinc/61/90/15/365619015.db2.gz KUTPYASREIUQSJ-CQSZACIVSA-N 1 2 278.400 2.243 10 0 CEAELO CC(C)(C)OC(=O)[C@@H]([NH3+])[C@H](O)c1ccc(Cl)c(F)c1 ZINC000725263935 539212412 /nfs/dbraw/zinc/21/24/12/539212412.db2.gz VMACWTFORDURDU-WDEREUQCSA-N 1 2 289.734 2.182 10 0 CEAELO FC(F)n1ccnc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000177961254 542247550 /nfs/dbraw/zinc/24/75/50/542247550.db2.gz TXMJEUVKRXPKGM-GFCCVEGCSA-N 1 2 294.305 2.327 10 0 CEAELO FC(F)n1ccnc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000177961254 542247554 /nfs/dbraw/zinc/24/75/54/542247554.db2.gz TXMJEUVKRXPKGM-GFCCVEGCSA-N 1 2 294.305 2.327 10 0 CEAELO CC[N@@H+]1CCO[C@H](CNc2nc3ccccc3s2)C1 ZINC000134431910 344374096 /nfs/dbraw/zinc/37/40/96/344374096.db2.gz QSZCTWCYCLLCEM-LLVKDONJSA-N 1 2 277.393 2.429 10 0 CEAELO CC[N@H+]1CCO[C@H](CNc2nc3ccccc3s2)C1 ZINC000134431910 344374098 /nfs/dbraw/zinc/37/40/98/344374098.db2.gz QSZCTWCYCLLCEM-LLVKDONJSA-N 1 2 277.393 2.429 10 0 CEAELO Cc1[nH+]c2c(C)cc(N)cn2c1I ZINC000157763214 344447620 /nfs/dbraw/zinc/44/76/20/344447620.db2.gz JAKOXBDWYGXURP-UHFFFAOYSA-N 1 2 287.104 2.138 10 0 CEAELO COC[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC000159326128 344454653 /nfs/dbraw/zinc/45/46/53/344454653.db2.gz FBHWPKJVJBTXCJ-SECBINFHSA-N 1 2 253.689 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CEAELO Cc1csc([C@@H]2C[N@H+](CC3=CCCOC3)CCO2)n1 ZINC000092790256 232183149 /nfs/dbraw/zinc/18/31/49/232183149.db2.gz OTXIPSNYERUAHX-ZDUSSCGKSA-N 1 2 280.393 2.172 10 0 CEAELO Cc1csc([C@@H]2C[N@@H+](CC3=CCCOC3)CCO2)n1 ZINC000092790256 232183150 /nfs/dbraw/zinc/18/31/50/232183150.db2.gz OTXIPSNYERUAHX-ZDUSSCGKSA-N 1 2 280.393 2.172 10 0 CEAELO COC(=O)[C@H](COC1C[C@H](C)C[C@H](C)C1)[NH2+]C(C)C ZINC000084962895 178934336 /nfs/dbraw/zinc/93/43/36/178934336.db2.gz VPHLVEMSBWVLPT-PIGZVRMJSA-N 1 2 271.401 2.367 10 0 CEAELO CC[C@@](C)([C@H](NN)c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000097585736 185632127 /nfs/dbraw/zinc/63/21/27/185632127.db2.gz CXRINVZMLAHUIJ-CVEARBPZSA-N 1 2 277.412 2.000 10 0 CEAELO COCCN1C[C@](C)(c2ccccc2)[NH2+]C[C@@H]1C(C)C ZINC000085532212 179091783 /nfs/dbraw/zinc/09/17/83/179091783.db2.gz KRXYQFYPSANGHD-IAGOWNOFSA-N 1 2 276.424 2.478 10 0 CEAELO OC[C@H]([NH2+]Cc1nccn1C(F)F)c1ccccc1 ZINC000063002876 362742459 /nfs/dbraw/zinc/74/24/59/362742459.db2.gz CTRRTAJJBHUKHA-NSHDSACASA-N 1 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/nfs/dbraw/zinc/05/57/13/180055713.db2.gz DOWJYTDNPOWBMJ-AWEZNQCLSA-N 1 2 293.338 2.157 10 0 CEAELO CCCNc1ncccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907387 180061293 /nfs/dbraw/zinc/06/12/93/180061293.db2.gz IGTZAENWMXZHDF-OKILXGFUSA-N 1 2 261.369 2.267 10 0 CEAELO CCCNc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907387 180061295 /nfs/dbraw/zinc/06/12/95/180061295.db2.gz IGTZAENWMXZHDF-OKILXGFUSA-N 1 2 261.369 2.267 10 0 CEAELO CC(C)n1c[nH+]cc1[C@@H](O)c1cc(Cl)cnc1N ZINC000091273668 180118064 /nfs/dbraw/zinc/11/80/64/180118064.db2.gz FXQHJMGPQACBSU-NSHDSACASA-N 1 2 266.732 2.176 10 0 CEAELO CCOC(=O)C(C)(C)[C@@H](O)c1c[nH+]cn1C(C)C ZINC000091273920 180118479 /nfs/dbraw/zinc/11/84/79/180118479.db2.gz JVEJPFBFCBKCLF-NSHDSACASA-N 1 2 254.330 2.087 10 0 CEAELO Cn1nc(C[C@H](O)c2c[nH+]cn2C2CC2)c2ccccc21 ZINC000091277396 180119980 /nfs/dbraw/zinc/11/99/80/180119980.db2.gz OAWDWHUTEPTCCB-INIZCTEOSA-N 1 2 282.347 2.381 10 0 CEAELO C[N@H+](CC1CC(O)C1)c1ccc(N)c2ncccc12 ZINC000091463910 180162118 /nfs/dbraw/zinc/16/21/18/180162118.db2.gz RJHJBBLUQYLKLS-UHFFFAOYSA-N 1 2 257.337 2.024 10 0 CEAELO C[N@@H+](CC1CC(O)C1)c1ccc(N)c2ncccc12 ZINC000091463910 180162120 /nfs/dbraw/zinc/16/21/20/180162120.db2.gz RJHJBBLUQYLKLS-UHFFFAOYSA-N 1 2 257.337 2.024 10 0 CEAELO Cc1ccc(F)cc1[C@H](O)C(C)(C)[NH+]1CCOCC1 ZINC000091565916 180194149 /nfs/dbraw/zinc/19/41/49/180194149.db2.gz NNIXGOXCNGHKBZ-AWEZNQCLSA-N 1 2 267.344 2.278 10 0 CEAELO C[N@@H+]1CCO[C@H](C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000091688449 180226954 /nfs/dbraw/zinc/22/69/54/180226954.db2.gz OYEBTQYTKLCAIL-ZDUSSCGKSA-N 1 2 288.174 2.436 10 0 CEAELO C[N@H+]1CCO[C@H](C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000091688449 180226957 /nfs/dbraw/zinc/22/69/57/180226957.db2.gz OYEBTQYTKLCAIL-ZDUSSCGKSA-N 1 2 288.174 2.436 10 0 CEAELO O=C(c1cc(F)ccc1F)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714024 180231642 /nfs/dbraw/zinc/23/16/42/180231642.db2.gz JABUEISSAKIOBY-ZWNOBZJWSA-N 1 2 267.275 2.011 10 0 CEAELO O=C(c1cc(F)ccc1F)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091714024 180231644 /nfs/dbraw/zinc/23/16/44/180231644.db2.gz JABUEISSAKIOBY-ZWNOBZJWSA-N 1 2 267.275 2.011 10 0 CEAELO COC(C)(C)c1noc([C@H]2[NH2+]CCc3sccc32)n1 ZINC000092137658 180333836 /nfs/dbraw/zinc/33/38/36/180333836.db2.gz DOPXMMROHWPYFU-JTQLQIEISA-N 1 2 279.365 2.248 10 0 CEAELO C[C@H]1CN(c2[nH+]c3c(cc2C(N)=S)CCC3)C[C@H]1C ZINC000092090845 180322075 /nfs/dbraw/zinc/32/20/75/180322075.db2.gz OXTYGGWMUDEMLM-AOOOYVTPSA-N 1 2 275.421 2.297 10 0 CEAELO CCOC(=O)[C@@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275146 180356276 /nfs/dbraw/zinc/35/62/76/180356276.db2.gz ZNAGJKRGNYJHRS-GHMZBOCLSA-N 1 2 265.378 2.417 10 0 CEAELO CC[N@@H+](CC(=O)OC)C[C@H]1CSc2ccccc21 ZINC000092292594 180357831 /nfs/dbraw/zinc/35/78/31/180357831.db2.gz MVQUPLIGGGWOGQ-NSHDSACASA-N 1 2 265.378 2.371 10 0 CEAELO CC[N@H+](CC(=O)OC)C[C@H]1CSc2ccccc21 ZINC000092292594 180357832 /nfs/dbraw/zinc/35/78/32/180357832.db2.gz MVQUPLIGGGWOGQ-NSHDSACASA-N 1 2 265.378 2.371 10 0 CEAELO CCCNc1cccc(CN2CCC[C@H]2C(=O)OC)[nH+]1 ZINC000092368569 180370054 /nfs/dbraw/zinc/37/00/54/180370054.db2.gz SWPJPKROIZYXGO-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CC(C)[C@@H]1CCC(=O)N(Cc2cccc(N)[nH+]2)CC1 ZINC000092372443 180371081 /nfs/dbraw/zinc/37/10/81/180371081.db2.gz URQHXXZNRIKFNP-GFCCVEGCSA-N 1 2 261.369 2.449 10 0 CEAELO COC(=O)[C@@]1([NH2+]C(C)C)CCCc2ccc(OC)cc21 ZINC000092386927 180374407 /nfs/dbraw/zinc/37/44/07/180374407.db2.gz IRPBFDWXAPZOGH-MRXNPFEDSA-N 1 2 277.364 2.398 10 0 CEAELO COC(=O)[C@H](CC(C)C)NC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402468 180377269 /nfs/dbraw/zinc/37/72/69/180377269.db2.gz KWSQZVQDGFEYJR-WDEREUQCSA-N 1 2 272.414 2.291 10 0 CEAELO CC(C)CC[N@@H+](c1ccc(N)c(C(N)=O)c1)C1CC1 ZINC000109281180 186247030 /nfs/dbraw/zinc/24/70/30/186247030.db2.gz ITYFQPKWPXYMLL-UHFFFAOYSA-N 1 2 261.369 2.383 10 0 CEAELO CC(C)CC[N@H+](c1ccc(N)c(C(N)=O)c1)C1CC1 ZINC000109281180 186247031 /nfs/dbraw/zinc/24/70/31/186247031.db2.gz ITYFQPKWPXYMLL-UHFFFAOYSA-N 1 2 261.369 2.383 10 0 CEAELO CCOCCCNc1nc(NC)c(Br)c[nH+]1 ZINC000130672985 365979705 /nfs/dbraw/zinc/97/97/05/365979705.db2.gz JKMYGFWVFSTOMX-UHFFFAOYSA-N 1 2 289.177 2.119 10 0 CEAELO C[C@H]1CCC[N@H+](CC(=O)c2ccc(O)cc2O)CC1 ZINC000110806879 186326326 /nfs/dbraw/zinc/32/63/26/186326326.db2.gz JJYLXYMAEKIMIN-NSHDSACASA-N 1 2 263.337 2.403 10 0 CEAELO C[C@H]1CCC[N@@H+](CC(=O)c2ccc(O)cc2O)CC1 ZINC000110806879 186326328 /nfs/dbraw/zinc/32/63/28/186326328.db2.gz JJYLXYMAEKIMIN-NSHDSACASA-N 1 2 263.337 2.403 10 0 CEAELO CCOc1cc([NH2+]CCC(=O)N[C@@H](C)CC)ccc1N ZINC000111054529 186348486 /nfs/dbraw/zinc/34/84/86/186348486.db2.gz FXMQAGATQCPPAN-NSHDSACASA-N 1 2 279.384 2.384 10 0 CEAELO CCOc1cc(NC2(CO)CCCC2)ccc1[NH3+] ZINC000111055581 186349523 /nfs/dbraw/zinc/34/95/23/186349523.db2.gz POSHQPXIWPWKJB-UHFFFAOYSA-N 1 2 250.342 2.385 10 0 CEAELO CCCOCCOCC[C@](C)([NH2+]C(C)C)C(=O)OCC ZINC000111110563 186353759 /nfs/dbraw/zinc/35/37/59/186353759.db2.gz CBRVFUOVOXEMJY-HNNXBMFYSA-N 1 2 289.416 2.140 10 0 CEAELO CCc1ccc(C[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)o1 ZINC000122418582 187031352 /nfs/dbraw/zinc/03/13/52/187031352.db2.gz LXPMNBBYWUDGJE-MRXNPFEDSA-N 1 2 289.379 2.248 10 0 CEAELO CCc1ccc(C[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)o1 ZINC000122418582 187031353 /nfs/dbraw/zinc/03/13/53/187031353.db2.gz LXPMNBBYWUDGJE-MRXNPFEDSA-N 1 2 289.379 2.248 10 0 CEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000154246630 188131774 /nfs/dbraw/zinc/13/17/74/188131774.db2.gz JKULZAWLNXCEKT-LLVKDONJSA-N 1 2 295.452 2.493 10 0 CEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000154246630 188131776 /nfs/dbraw/zinc/13/17/76/188131776.db2.gz JKULZAWLNXCEKT-LLVKDONJSA-N 1 2 295.452 2.493 10 0 CEAELO CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173930146 188875953 /nfs/dbraw/zinc/87/59/53/188875953.db2.gz IXWLVOZRBZYUPE-APHBMKBZSA-N 1 2 299.374 2.475 10 0 CEAELO Nc1cn(Cc2ccc(Br)cc2)c[nH+]1 ZINC000096959978 540165713 /nfs/dbraw/zinc/16/57/13/540165713.db2.gz SCNKRHIEEXOWQK-UHFFFAOYSA-N 1 2 252.115 2.276 10 0 CEAELO c1csc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000135164904 366403801 /nfs/dbraw/zinc/40/38/01/366403801.db2.gz AGWRMWYDTXCLFC-GFCCVEGCSA-N 1 2 261.350 2.191 10 0 CEAELO c1csc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000135164904 366403802 /nfs/dbraw/zinc/40/38/02/366403802.db2.gz AGWRMWYDTXCLFC-GFCCVEGCSA-N 1 2 261.350 2.191 10 0 CEAELO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H](c2nccs2)C1 ZINC000329454924 202344179 /nfs/dbraw/zinc/34/41/79/202344179.db2.gz PREBWELBDHRMTE-NSHDSACASA-N 1 2 290.392 2.205 10 0 CEAELO CCCCNC(=O)[C@@H](C)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176896963 189013857 /nfs/dbraw/zinc/01/38/57/189013857.db2.gz KSNDQHNIJOPRMC-MPBGBICISA-N 1 2 299.440 2.018 10 0 CEAELO O=C(CCc1ccccc1O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177744590 189066650 /nfs/dbraw/zinc/06/66/50/189066650.db2.gz FHNUVKJFUWVTIJ-OAHLLOKOSA-N 1 2 299.374 2.213 10 0 CEAELO O=C(Cc1ccsc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177766448 189067734 /nfs/dbraw/zinc/06/77/34/189067734.db2.gz PXJJBNFIZNMPMI-CYBMUJFWSA-N 1 2 275.377 2.178 10 0 CEAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cn(C)nc1C ZINC000178416004 189114991 /nfs/dbraw/zinc/11/49/91/189114991.db2.gz NSJIIOYQUCTMEH-MFKMUULPSA-N 1 2 288.399 2.068 10 0 CEAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cn(C)nc1C ZINC000178415983 189114678 /nfs/dbraw/zinc/11/46/78/189114678.db2.gz NSJIIOYQUCTMEH-GWCFXTLKSA-N 1 2 288.399 2.068 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ncc(C)s2)C1 ZINC000180463666 189256795 /nfs/dbraw/zinc/25/67/95/189256795.db2.gz KXFJFQLYNUYKKQ-GFCCVEGCSA-N 1 2 281.425 2.332 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC000180463666 189256796 /nfs/dbraw/zinc/25/67/96/189256796.db2.gz KXFJFQLYNUYKKQ-GFCCVEGCSA-N 1 2 281.425 2.332 10 0 CEAELO C[C@@H]1C[C@@H]1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000252217711 297309697 /nfs/dbraw/zinc/30/96/97/297309697.db2.gz ZPATUBYGSHFTIH-SNPRPXQTSA-N 1 2 290.432 2.301 10 0 CEAELO Oc1cccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831833 364112183 /nfs/dbraw/zinc/11/21/83/364112183.db2.gz FFFZRYZDWFCGNA-CYBMUJFWSA-N 1 2 276.361 2.422 10 0 CEAELO Oc1cccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831833 364112185 /nfs/dbraw/zinc/11/21/85/364112185.db2.gz FFFZRYZDWFCGNA-CYBMUJFWSA-N 1 2 276.361 2.422 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccccc1O)C2 ZINC000112725606 364835853 /nfs/dbraw/zinc/83/58/53/364835853.db2.gz PJOODOSZHUNJFX-UHFFFAOYSA-N 1 2 299.374 2.448 10 0 CEAELO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)no1 ZINC000116295828 365049898 /nfs/dbraw/zinc/04/98/98/365049898.db2.gz LZTSIFZKGSWFPH-LLVKDONJSA-N 1 2 275.308 2.352 10 0 CEAELO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)no1 ZINC000116295828 365049899 /nfs/dbraw/zinc/04/98/99/365049899.db2.gz LZTSIFZKGSWFPH-LLVKDONJSA-N 1 2 275.308 2.352 10 0 CEAELO COC[C@@H]([NH3+])c1nc(-c2cccc(Br)c2)no1 ZINC000159331214 366900833 /nfs/dbraw/zinc/90/08/33/366900833.db2.gz UNMUGEYHOQTZQG-SECBINFHSA-N 1 2 298.140 2.145 10 0 CEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ncc(C)o1 ZINC000245450025 370821669 /nfs/dbraw/zinc/82/16/69/370821669.db2.gz OFAAQZQLZIUSHN-XQQFMLRXSA-N 1 2 278.352 2.289 10 0 CEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ncc(C)o1 ZINC000245450025 370821673 /nfs/dbraw/zinc/82/16/73/370821673.db2.gz OFAAQZQLZIUSHN-XQQFMLRXSA-N 1 2 278.352 2.289 10 0 CEAELO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)cn1 ZINC000164789040 367296500 /nfs/dbraw/zinc/29/65/00/367296500.db2.gz VSYMINKSBLUEIP-DGCLKSJQSA-N 1 2 274.372 2.241 10 0 CEAELO O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccncc1 ZINC000171051541 367466999 /nfs/dbraw/zinc/46/69/99/367466999.db2.gz FPGHAWXQQZMQSP-SNVBAGLBSA-N 1 2 287.285 2.294 10 0 CEAELO O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccncc1 ZINC000171051541 367467004 /nfs/dbraw/zinc/46/70/04/367467004.db2.gz FPGHAWXQQZMQSP-SNVBAGLBSA-N 1 2 287.285 2.294 10 0 CEAELO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCS[C@@H](C)C1 ZINC000171696274 367597073 /nfs/dbraw/zinc/59/70/73/367597073.db2.gz YLAMZSCGWKIGNH-UWVGGRQHSA-N 1 2 299.827 2.499 10 0 CEAELO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCS[C@@H](C)C1 ZINC000171696274 367597076 /nfs/dbraw/zinc/59/70/76/367597076.db2.gz YLAMZSCGWKIGNH-UWVGGRQHSA-N 1 2 299.827 2.499 10 0 CEAELO Cc1nc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc[nH+]1 ZINC000246903034 371028723 /nfs/dbraw/zinc/02/87/23/371028723.db2.gz XTNOWUSKGBBUDQ-RISCZKNCSA-N 1 2 291.301 2.376 10 0 CEAELO Cc1nc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc[nH+]1 ZINC000246903019 371029120 /nfs/dbraw/zinc/02/91/20/371029120.db2.gz XTNOWUSKGBBUDQ-FZMZJTMJSA-N 1 2 291.301 2.376 10 0 CEAELO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000247010472 371045350 /nfs/dbraw/zinc/04/53/50/371045350.db2.gz NWNWZWDLVVAGDO-QPSCCSFWSA-N 1 2 282.428 2.133 10 0 CEAELO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248606061 371221087 /nfs/dbraw/zinc/22/10/87/371221087.db2.gz PBMZEESYOXWLIK-RWMBFGLXSA-N 1 2 257.374 2.121 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2ccoc2C)C1 ZINC000643772695 373263203 /nfs/dbraw/zinc/26/32/03/373263203.db2.gz OUBHRPDXVAKIIT-OLZOCXBDSA-N 1 2 261.325 2.273 10 0 CEAELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](Cc2ccoc2C)C1 ZINC000643772695 373263209 /nfs/dbraw/zinc/26/32/09/373263209.db2.gz OUBHRPDXVAKIIT-OLZOCXBDSA-N 1 2 261.325 2.273 10 0 CEAELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](Cc2ccoc2C)C1 ZINC000643772695 373263215 /nfs/dbraw/zinc/26/32/15/373263215.db2.gz OUBHRPDXVAKIIT-OLZOCXBDSA-N 1 2 261.325 2.273 10 0 CEAELO C[C@@H](CNc1ncc(C(F)(F)F)s1)[NH+]1CCOCC1 ZINC000276745231 374286725 /nfs/dbraw/zinc/28/67/25/374286725.db2.gz GYLDZFYEXWSTEK-QMMMGPOBSA-N 1 2 295.330 2.295 10 0 CEAELO CCOc1ccccc1[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC000293349950 377530474 /nfs/dbraw/zinc/53/04/74/377530474.db2.gz XXRTXQUNBZWBPQ-JTQLQIEISA-N 1 2 260.341 2.363 10 0 CEAELO COCc1noc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000180235076 542261697 /nfs/dbraw/zinc/26/16/97/542261697.db2.gz BBZDLLJNEQRZRK-NSHDSACASA-N 1 2 261.325 2.375 10 0 CEAELO Cc1nc(N2CCC[C@](C)(CO)C2)c2c([nH+]1)CCCC2 ZINC000302091046 379320811 /nfs/dbraw/zinc/32/08/11/379320811.db2.gz MBOQYVKYDUDPMT-INIZCTEOSA-N 1 2 275.396 2.263 10 0 CEAELO CCc1nnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)nc1CC ZINC000302528319 379391258 /nfs/dbraw/zinc/39/12/58/379391258.db2.gz DOZGDLGNHVCPME-ZDUSSCGKSA-N 1 2 299.378 2.049 10 0 CEAELO COCCc1noc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000181538744 542274304 /nfs/dbraw/zinc/27/43/04/542274304.db2.gz DGHHDBDQUYKEJZ-LBPRGKRZSA-N 1 2 275.352 2.418 10 0 CEAELO CC[C@@H]1CC[N@@H+]1Cc1nn(C)cc1Br ZINC000334802266 207102296 /nfs/dbraw/zinc/10/22/96/207102296.db2.gz CIHCNMSDANCBCG-MRVPVSSYSA-N 1 2 258.163 2.167 10 0 CEAELO CC[C@@H]1CC[N@H+]1Cc1nn(C)cc1Br ZINC000334802266 207102301 /nfs/dbraw/zinc/10/23/01/207102301.db2.gz CIHCNMSDANCBCG-MRVPVSSYSA-N 1 2 258.163 2.167 10 0 CEAELO Cc1scc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1C ZINC000335242789 208009174 /nfs/dbraw/zinc/00/91/74/208009174.db2.gz VVUKHAIJQSLJGD-JQWIXIFHSA-N 1 2 252.383 2.222 10 0 CEAELO O=C([O-])[C@H](C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000080960779 177740800 /nfs/dbraw/zinc/74/08/00/177740800.db2.gz GVMSWEICZNLFQY-OWCLPIDISA-N 1 2 288.391 2.071 10 0 CEAELO O=C([O-])[C@H](C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000080960779 177740803 /nfs/dbraw/zinc/74/08/03/177740803.db2.gz GVMSWEICZNLFQY-OWCLPIDISA-N 1 2 288.391 2.071 10 0 CEAELO CCC[N@@H+]1CCO[C@H](c2noc(-c3sccc3N)n2)C1 ZINC000093916929 184741758 /nfs/dbraw/zinc/74/17/58/184741758.db2.gz JSUZXOOUVUHKKT-JTQLQIEISA-N 1 2 294.380 2.164 10 0 CEAELO CCC[N@H+]1CCO[C@H](c2noc(-c3sccc3N)n2)C1 ZINC000093916929 184741759 /nfs/dbraw/zinc/74/17/59/184741759.db2.gz JSUZXOOUVUHKKT-JTQLQIEISA-N 1 2 294.380 2.164 10 0 CEAELO CCCNc1ncc(C[N@@H+]2CCOC[C@H]2C)s1 ZINC000094192557 184761036 /nfs/dbraw/zinc/76/10/36/184761036.db2.gz FOFACYWPDCQIQK-SNVBAGLBSA-N 1 2 255.387 2.186 10 0 CEAELO CCCNc1ncc(C[N@H+]2CCOC[C@H]2C)s1 ZINC000094192557 184761037 /nfs/dbraw/zinc/76/10/37/184761037.db2.gz FOFACYWPDCQIQK-SNVBAGLBSA-N 1 2 255.387 2.186 10 0 CEAELO COC(=O)CCC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000116389378 533382412 /nfs/dbraw/zinc/38/24/12/533382412.db2.gz NHDLVJJVQBIHBS-NSHDSACASA-N 1 2 281.356 2.283 10 0 CEAELO COC(=O)CCC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000116389378 533382418 /nfs/dbraw/zinc/38/24/18/533382418.db2.gz NHDLVJJVQBIHBS-NSHDSACASA-N 1 2 281.356 2.283 10 0 CEAELO C[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1cccs1 ZINC000191053507 130176897 /nfs/dbraw/zinc/17/68/97/130176897.db2.gz FKETYNPOTPWMCJ-ZETCQYMHSA-N 1 2 291.302 2.148 10 0 CEAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cn(C(C)(C)C)nn2)cn1 ZINC000191322837 130221563 /nfs/dbraw/zinc/22/15/63/130221563.db2.gz FKKFMLWOQOYIBY-AWEZNQCLSA-N 1 2 288.399 2.104 10 0 CEAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2cn(C(C)(C)C)nn2)cn1 ZINC000191322837 130221566 /nfs/dbraw/zinc/22/15/66/130221566.db2.gz FKKFMLWOQOYIBY-AWEZNQCLSA-N 1 2 288.399 2.104 10 0 CEAELO C[C@@H]1CN(c2nc(N)[nH+]cc2Cl)C[C@H](C)S1 ZINC000087830992 135052169 /nfs/dbraw/zinc/05/21/69/135052169.db2.gz XPMHWTCOUOHULN-KNVOCYPGSA-N 1 2 258.778 2.042 10 0 CEAELO CCc1nc(Cl)c(C)c(N2CCn3cc[nH+]c3C2)n1 ZINC000093537818 135081429 /nfs/dbraw/zinc/08/14/29/135081429.db2.gz FKXUOHHXNCZQRJ-UHFFFAOYSA-N 1 2 277.759 2.218 10 0 CEAELO Cc1cc2ccccc2[nH+]c1N1CCO[C@H](C(N)=S)C1 ZINC000093935073 135082709 /nfs/dbraw/zinc/08/27/09/135082709.db2.gz WTCXCQFYQHNBSC-ZDUSSCGKSA-N 1 2 287.388 2.035 10 0 CEAELO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(F)c(O)c(F)c2)[C@@H](C)C1 ZINC000186860860 395296371 /nfs/dbraw/zinc/29/63/71/395296371.db2.gz MRLNRXTZMRFNMV-ZANVPECISA-N 1 2 298.333 2.129 10 0 CEAELO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc(F)c(O)c(F)c2)[C@@H](C)C1 ZINC000186860860 395296375 /nfs/dbraw/zinc/29/63/75/395296375.db2.gz MRLNRXTZMRFNMV-ZANVPECISA-N 1 2 298.333 2.129 10 0 CEAELO Cn1c(C[NH+]2CCC([C@@H]3CCCO3)CC2)nnc1C1CC1 ZINC000189182307 153087496 /nfs/dbraw/zinc/08/74/96/153087496.db2.gz WPCAAVYQUWKRKV-AWEZNQCLSA-N 1 2 290.411 2.084 10 0 CEAELO c1csc([C@@H]2C[N@H+](C[C@@H]3CCCCO3)CCO2)n1 ZINC000195521247 153291097 /nfs/dbraw/zinc/29/10/97/153291097.db2.gz 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/nfs/dbraw/zinc/39/26/74/153392674.db2.gz OKKVKQMCQYAJSB-MNOVXSKESA-N 1 2 267.373 2.327 10 0 CEAELO CO[C@H]1CCC[C@@H](Nc2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000301962145 154181346 /nfs/dbraw/zinc/18/13/46/154181346.db2.gz MYFXROHOKPKHJJ-NEPJUHHUSA-N 1 2 293.415 2.431 10 0 CEAELO CO[C@H]1CCC[C@@H](Nc2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000301962145 154181348 /nfs/dbraw/zinc/18/13/48/154181348.db2.gz MYFXROHOKPKHJJ-NEPJUHHUSA-N 1 2 293.415 2.431 10 0 CEAELO CCCCCC[C@H](C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170781743 165043016 /nfs/dbraw/zinc/04/30/16/165043016.db2.gz KKNVPLGCDDEEKI-LSDHHAIUSA-N 1 2 284.444 2.430 10 0 CEAELO CCCCCC[C@H](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170781743 165043020 /nfs/dbraw/zinc/04/30/20/165043020.db2.gz KKNVPLGCDDEEKI-LSDHHAIUSA-N 1 2 284.444 2.430 10 0 CEAELO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C3CC3)n2C)C1(C)C ZINC000172666152 165062635 /nfs/dbraw/zinc/06/26/35/165062635.db2.gz NMQKRWNXHQFQHQ-OLZOCXBDSA-N 1 2 292.427 2.328 10 0 CEAELO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C3CC3)n2C)C1(C)C ZINC000172666152 165062637 /nfs/dbraw/zinc/06/26/37/165062637.db2.gz NMQKRWNXHQFQHQ-OLZOCXBDSA-N 1 2 292.427 2.328 10 0 CEAELO CCOC(=O)[C@H](CC)SCc1[nH+]ccn1CC ZINC000177369960 165195483 /nfs/dbraw/zinc/19/54/83/165195483.db2.gz YLPQHZOLHFHEFG-JTQLQIEISA-N 1 2 256.371 2.478 10 0 CEAELO C[C@@H](CNC(=O)C1(C)CCCCCC1)[NH+]1CCOCC1 ZINC000180501450 165314167 /nfs/dbraw/zinc/31/41/67/165314167.db2.gz SQIVVVGVNRNSGW-AWEZNQCLSA-N 1 2 282.428 2.184 10 0 CEAELO C[C@@H]([NH2+]Cc1noc(-c2ccsc2)n1)[C@H]1CCCO1 ZINC000183121390 165386327 /nfs/dbraw/zinc/38/63/27/165386327.db2.gz UTKQUIVYESINBH-MWLCHTKSSA-N 1 2 279.365 2.455 10 0 CEAELO Cc1c(N)cccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022152933 171360287 /nfs/dbraw/zinc/36/02/87/171360287.db2.gz JOILNCORTJAJJN-NTZNESFSSA-N 1 2 291.395 2.013 10 0 CEAELO Cc1c(N)cccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022152933 171360288 /nfs/dbraw/zinc/36/02/88/171360288.db2.gz JOILNCORTJAJJN-NTZNESFSSA-N 1 2 291.395 2.013 10 0 CEAELO C[NH+]1CCC(n2c(=O)c3ccsc3[nH]c2=S)CC1 ZINC000035698667 172366617 /nfs/dbraw/zinc/36/66/17/172366617.db2.gz CMKRTGUCSMDVBN-UHFFFAOYSA-N 1 2 281.406 2.013 10 0 CEAELO CN(C)C(=O)C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000037207650 173028404 /nfs/dbraw/zinc/02/84/04/173028404.db2.gz XLNFHOJYKZELRW-HNNXBMFYSA-N 1 2 258.321 2.047 10 0 CEAELO CN(C)C(=O)C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000037207651 173028977 /nfs/dbraw/zinc/02/89/77/173028977.db2.gz XLNFHOJYKZELRW-OAHLLOKOSA-N 1 2 258.321 2.047 10 0 CEAELO CC[C@H](C)[C@H]([NH2+][C@@H]1CCCC[C@@H]1OC)C(=O)OC ZINC000037313259 173114862 /nfs/dbraw/zinc/11/48/62/173114862.db2.gz SQCULXGVPLEWLF-RNJOBUHISA-N 1 2 257.374 2.121 10 0 CEAELO COC1CC[NH+](CC(=O)c2cccc(F)c2)CC1 ZINC000037337356 173138824 /nfs/dbraw/zinc/13/88/24/173138824.db2.gz ZQGBTZPLPGGXQM-UHFFFAOYSA-N 1 2 251.301 2.119 10 0 CEAELO COc1ccc(C(=O)Cn2cc[nH+]c2)cc1Cl ZINC000037340501 173142355 /nfs/dbraw/zinc/14/23/55/173142355.db2.gz ROTKLIPSGMGLJV-UHFFFAOYSA-N 1 2 250.685 2.428 10 0 CEAELO c1snnc1C[NH2+]Cc1cc2c(s1)CCC2 ZINC000040626186 174356603 /nfs/dbraw/zinc/35/66/03/174356603.db2.gz QARJYGVBNSGFFY-UHFFFAOYSA-N 1 2 251.380 2.378 10 0 CEAELO CC(C)CN(CC(C)C)c1ncnc(-n2cc[nH+]c2)c1N ZINC000040735981 174388940 /nfs/dbraw/zinc/38/89/40/174388940.db2.gz NRVUSZXTGNDVHF-UHFFFAOYSA-N 1 2 288.399 2.363 10 0 CEAELO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747546 175243316 /nfs/dbraw/zinc/24/33/16/175243316.db2.gz DETAHFHZGUOAOG-QMTHXVAHSA-N 1 2 263.337 2.311 10 0 CEAELO CCCCOCCNc1[nH+]c(C)ccc1C(N)=S ZINC000045109754 175309515 /nfs/dbraw/zinc/30/95/15/175309515.db2.gz UPXULXIYBYJSBH-UHFFFAOYSA-N 1 2 267.398 2.253 10 0 CEAELO CCOC(=O)[C@](C)(CN(CC)c1ccccc1)[NH2+]C ZINC000045232056 175335854 /nfs/dbraw/zinc/33/58/54/175335854.db2.gz GVBUTWGOGQPGAU-HNNXBMFYSA-N 1 2 264.369 2.054 10 0 CEAELO CC[NH2+][C@@](C)(CCN(CC)CC(F)(F)F)C(=O)OCC ZINC000045274132 175344615 /nfs/dbraw/zinc/34/46/15/175344615.db2.gz YOQUFCCXOZAAHE-LBPRGKRZSA-N 1 2 298.349 2.192 10 0 CEAELO CC(C)C[N@H+](C[C@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045280663 175350725 /nfs/dbraw/zinc/35/07/25/175350725.db2.gz HCYUTHSRIDOXNY-AWEZNQCLSA-N 1 2 258.406 2.194 10 0 CEAELO CC(C)C[N@@H+](C[C@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045280663 175350726 /nfs/dbraw/zinc/35/07/26/175350726.db2.gz HCYUTHSRIDOXNY-AWEZNQCLSA-N 1 2 258.406 2.194 10 0 CEAELO CCC1CCC([N@H+](C)C[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045281085 175351641 /nfs/dbraw/zinc/35/16/41/175351641.db2.gz WVFLCMAABPHZRX-LDZOIKDWSA-N 1 2 282.428 2.482 10 0 CEAELO CCC1CCC([N@@H+](C)C[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045281085 175351642 /nfs/dbraw/zinc/35/16/42/175351642.db2.gz WVFLCMAABPHZRX-LDZOIKDWSA-N 1 2 282.428 2.482 10 0 CEAELO CC[NH2+][C@H](CN(CC)c1ccccc1)C(=O)OCC ZINC000045379824 175369429 /nfs/dbraw/zinc/36/94/29/175369429.db2.gz YFICUCIFIVGLGL-CQSZACIVSA-N 1 2 264.369 2.054 10 0 CEAELO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000070942273 176015242 /nfs/dbraw/zinc/01/52/42/176015242.db2.gz KDOCDGQWZDNTRH-ZJUUUORDSA-N 1 2 255.387 2.051 10 0 CEAELO CCCNc1ccc(C(=O)NCc2[nH+]ccn2C)cc1 ZINC000071275279 176105976 /nfs/dbraw/zinc/10/59/76/176105976.db2.gz CLAISZJRMIEIOG-UHFFFAOYSA-N 1 2 272.352 2.172 10 0 CEAELO C[C@@H](C[NH2+]CCCCCC(=O)[O-])[NH+]1CCCCC1 ZINC000071293965 176111856 /nfs/dbraw/zinc/11/18/56/176111856.db2.gz NTCFWACXNHFSCT-ZDUSSCGKSA-N 1 2 256.390 2.095 10 0 CEAELO COc1cccc(C(=O)NCc2cn3cc(F)ccc3[nH+]2)c1 ZINC000071446282 176175639 /nfs/dbraw/zinc/17/56/39/176175639.db2.gz JQFDWTBLPAWFBK-UHFFFAOYSA-N 1 2 299.305 2.412 10 0 CEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](C2CCCCC2)C1 ZINC000662656315 415922021 /nfs/dbraw/zinc/92/20/21/415922021.db2.gz MNIDGMOCNOWFIN-OLZOCXBDSA-N 1 2 286.366 2.412 10 0 CEAELO COC(=O)NCCc1cn(-c2ccccc2)c(C)[nH+]1 ZINC000074776423 176613197 /nfs/dbraw/zinc/61/31/97/176613197.db2.gz KNFKWYGEQTZRRV-UHFFFAOYSA-N 1 2 259.309 2.079 10 0 CEAELO Cc1[nH+]c2cc(CC(=O)NC3CCCC3)ccc2n1C ZINC000074974938 176644608 /nfs/dbraw/zinc/64/46/08/176644608.db2.gz XSTGBULULYXWGN-UHFFFAOYSA-N 1 2 271.364 2.483 10 0 CEAELO C[C@H]1C[NH+](CC(=O)N(C2CC2)C2CCCC2)C[C@H](C)O1 ZINC000076412082 177020418 /nfs/dbraw/zinc/02/04/18/177020418.db2.gz LILRXJRXFPOFLC-STQMWFEESA-N 1 2 280.412 2.029 10 0 CEAELO COc1cccc(C[NH2+][C@@H](CN(C)C)c2ccccc2)n1 ZINC000189426493 278012782 /nfs/dbraw/zinc/01/27/82/278012782.db2.gz LLEVTSHKHJIJOP-INIZCTEOSA-N 1 2 285.391 2.483 10 0 CEAELO CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1[nH]cc[nH+]1 ZINC000133563493 280000323 /nfs/dbraw/zinc/00/03/23/280000323.db2.gz PTDISHDZIPRREF-UHFFFAOYSA-N 1 2 267.336 2.432 10 0 CEAELO CC(C)Cc1ncc(C[N@@H+]2CCCNC(=O)[C@@H]2C)s1 ZINC000189073202 280141973 /nfs/dbraw/zinc/14/19/73/280141973.db2.gz OPTFDJHNUYBHAS-NSHDSACASA-N 1 2 281.425 2.052 10 0 CEAELO CC(C)Cc1ncc(C[N@H+]2CCCNC(=O)[C@@H]2C)s1 ZINC000189073202 280141974 /nfs/dbraw/zinc/14/19/74/280141974.db2.gz OPTFDJHNUYBHAS-NSHDSACASA-N 1 2 281.425 2.052 10 0 CEAELO CCOC(=O)c1csc(C[N@@H+]2C[C@H]3CCC[C@@H]32)n1 ZINC000432785232 281340261 /nfs/dbraw/zinc/34/02/61/281340261.db2.gz SFDGKPFSYJMZTQ-KOLCDFICSA-N 1 2 266.366 2.304 10 0 CEAELO CCOC(=O)c1csc(C[N@H+]2C[C@H]3CCC[C@@H]32)n1 ZINC000432785232 281340263 /nfs/dbraw/zinc/34/02/63/281340263.db2.gz SFDGKPFSYJMZTQ-KOLCDFICSA-N 1 2 266.366 2.304 10 0 CEAELO CS(=O)(=O)CC[NH+]1CCC(=Cc2ccccc2)CC1 ZINC000089484288 295501681 /nfs/dbraw/zinc/50/16/81/295501681.db2.gz KKOYOVJYAPEBJA-UHFFFAOYSA-N 1 2 279.405 2.210 10 0 CEAELO Fc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cn1 ZINC000189303190 303130078 /nfs/dbraw/zinc/13/00/78/303130078.db2.gz TVNQSDREMWHGDM-STQMWFEESA-N 1 2 250.317 2.364 10 0 CEAELO Fc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cn1 ZINC000189303190 303130079 /nfs/dbraw/zinc/13/00/79/303130079.db2.gz TVNQSDREMWHGDM-STQMWFEESA-N 1 2 250.317 2.364 10 0 CEAELO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCCn2ncnc21 ZINC000190942956 304853022 /nfs/dbraw/zinc/85/30/22/304853022.db2.gz KVLBDQZTLPUKFY-RYUDHWBXSA-N 1 2 258.325 2.373 10 0 CEAELO CC[NH2+][C@](C)(CCOc1ccccc1C)C(=O)OC ZINC000045517001 520232024 /nfs/dbraw/zinc/23/20/24/520232024.db2.gz JQHMGPCZRQITLQ-OAHLLOKOSA-N 1 2 265.353 2.305 10 0 CEAELO C[NH2+][C@](CSc1ccc(OC)cc1)(C(=O)OC)C1CC1 ZINC000069186941 522532052 /nfs/dbraw/zinc/53/20/52/522532052.db2.gz XVAKXNDROLONMR-HNNXBMFYSA-N 1 2 295.404 2.329 10 0 CEAELO CC(C)[N@@H+](Cc1ccccc1N)Cc1ncccn1 ZINC000054460452 519658646 /nfs/dbraw/zinc/65/86/46/519658646.db2.gz CUDYZYFJMSJOBK-UHFFFAOYSA-N 1 2 256.353 2.469 10 0 CEAELO CC(C)[N@H+](Cc1ccccc1N)Cc1ncccn1 ZINC000054460452 519658647 /nfs/dbraw/zinc/65/86/47/519658647.db2.gz CUDYZYFJMSJOBK-UHFFFAOYSA-N 1 2 256.353 2.469 10 0 CEAELO CC(C)[NH2+][C@@](C[NH+]1CCCCCCC1)(C(=O)[O-])C1CC1 ZINC000069090908 519737287 /nfs/dbraw/zinc/73/72/87/519737287.db2.gz ZCPPDAHCSWJJBX-MRXNPFEDSA-N 1 2 282.428 2.484 10 0 CEAELO CCC1=NN(c2cccc(C)c2)C(=O)[C@H]1CCC[NH3+] ZINC000069506843 519849688 /nfs/dbraw/zinc/84/96/88/519849688.db2.gz GVUHNMGRADNUMK-ZDUSSCGKSA-N 1 2 259.353 2.463 10 0 CEAELO CCCc1[nH]n(Cc2cccc(F)c2)c(=O)c1CC[NH3+] ZINC000069506476 519893603 /nfs/dbraw/zinc/89/36/03/519893603.db2.gz VDOPRFPJFUSCJT-ZDUSSCGKSA-N 1 2 277.343 2.289 10 0 CEAELO CCC[NH2+][C@@H](CCOCCOc1ccccc1)C(=O)OC ZINC000062544056 520001456 /nfs/dbraw/zinc/00/14/56/520001456.db2.gz OCCWOILQQFJBOS-HNNXBMFYSA-N 1 2 295.379 2.013 10 0 CEAELO CCC[NH2+][C@@](C)(CC[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000050912231 520036274 /nfs/dbraw/zinc/03/62/74/520036274.db2.gz WFYIQJHOBQPASG-INIZCTEOSA-N 1 2 276.380 2.235 10 0 CEAELO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)Nc2cnoc2)c1 ZINC000061685639 520077825 /nfs/dbraw/zinc/07/78/25/520077825.db2.gz JUUHUIUVJWPLRU-JTQLQIEISA-N 1 2 295.364 2.146 10 0 CEAELO CC[NH2+][C@@H](CCSc1nc(C)cs1)C(=O)OCC ZINC000062600124 520095342 /nfs/dbraw/zinc/09/53/42/520095342.db2.gz ARUJQDXYSAXOND-JTQLQIEISA-N 1 2 288.438 2.475 10 0 CEAELO CCCNc1cc(C[N@@H+]2CCC[C@H]2C(=O)OCC)ccn1 ZINC000052723833 520135831 /nfs/dbraw/zinc/13/58/31/520135831.db2.gz WFBSJZQAGWKUQH-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CCCNc1cc(C[N@H+]2CCC[C@H]2C(=O)OCC)ccn1 ZINC000052723833 520135836 /nfs/dbraw/zinc/13/58/36/520135836.db2.gz WFBSJZQAGWKUQH-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CC[NH2+][C@@](CN(C)c1ccccc1)(C(=O)OC)C1CC1 ZINC000069094432 520149879 /nfs/dbraw/zinc/14/98/79/520149879.db2.gz RMWVJCFLLZQQBJ-MRXNPFEDSA-N 1 2 276.380 2.054 10 0 CEAELO CC[NH2+][C@@](C[NH+]1[C@@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096033 520154383 /nfs/dbraw/zinc/15/43/83/520154383.db2.gz HSEMIHQQLQJBRF-SLEUVZQESA-N 1 2 268.401 2.092 10 0 CEAELO CC[NH2+][C@@](C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)(C(=O)[O-])C1CC1 ZINC000069100561 520155248 /nfs/dbraw/zinc/15/52/48/520155248.db2.gz CITJMSIFOGEUNA-JJRVBVJISA-N 1 2 294.439 2.341 10 0 CEAELO CC[NH2+][C@@](C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)(C(=O)[O-])C1CC1 ZINC000069100561 520155256 /nfs/dbraw/zinc/15/52/56/520155256.db2.gz CITJMSIFOGEUNA-JJRVBVJISA-N 1 2 294.439 2.341 10 0 CEAELO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)Nc2cnoc2)cc1 ZINC000061685634 520179888 /nfs/dbraw/zinc/17/98/88/520179888.db2.gz ZGRRTNZOPRPEDR-SNVBAGLBSA-N 1 2 295.364 2.146 10 0 CEAELO CC[NH2+][C@](COc1ccccc1C)(C(=O)OC)C1CC1 ZINC000069197468 520251188 /nfs/dbraw/zinc/25/11/88/520251188.db2.gz RTJWOXGRPFARIJ-INIZCTEOSA-N 1 2 277.364 2.305 10 0 CEAELO CCNc1ccc(CN2CC(=O)Nc3ccccc32)c[nH+]1 ZINC000050812445 520301992 /nfs/dbraw/zinc/30/19/92/520301992.db2.gz VHVAMKICZNSLPY-UHFFFAOYSA-N 1 2 282.347 2.472 10 0 CEAELO CCNc1ncccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052724841 520377286 /nfs/dbraw/zinc/37/72/86/520377286.db2.gz KHXZVWMDCNPCLH-UONOGXRCSA-N 1 2 261.369 2.267 10 0 CEAELO CCNc1ncccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052724841 520377292 /nfs/dbraw/zinc/37/72/92/520377292.db2.gz KHXZVWMDCNPCLH-UONOGXRCSA-N 1 2 261.369 2.267 10 0 CEAELO CCNc1[nH+]cccc1CN1C(=O)c2ccccc2C1=O ZINC000052732478 520379122 /nfs/dbraw/zinc/37/91/22/520379122.db2.gz WIONBZBCLISHOF-UHFFFAOYSA-N 1 2 281.315 2.310 10 0 CEAELO CCCCOC[C@]([NH2+]CC)(C(=O)OCC)C1CC1 ZINC000069198073 520810310 /nfs/dbraw/zinc/81/03/10/520810310.db2.gz FBFLSWUVOKEXHC-CQSZACIVSA-N 1 2 257.374 2.125 10 0 CEAELO CCOC(=O)[C@@H](CCOc1cc(F)cc(F)c1)[NH2+]C1CC1 ZINC000062596237 521058955 /nfs/dbraw/zinc/05/89/55/521058955.db2.gz AFANDKXUEITAKU-CQSZACIVSA-N 1 2 299.317 2.417 10 0 CEAELO CCOC(=O)[C@@H](CCOC1CCC(C)CC1)[NH2+]C ZINC000062544187 521059816 /nfs/dbraw/zinc/05/98/16/521059816.db2.gz XVRPFHKRZVZJTA-WXRRBKDZSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@@H]([NH3+])COc1ccccc1[C@@H](C)CC ZINC000045519806 521074786 /nfs/dbraw/zinc/07/47/86/521074786.db2.gz DSESMQIVBGBXMJ-AAEUAGOBSA-N 1 2 265.353 2.469 10 0 CEAELO CCOC(=O)[C@@](CO[C@@H](C)CC)([NH2+]C1CC1)C1CC1 ZINC000069198244 521169532 /nfs/dbraw/zinc/16/95/32/521169532.db2.gz BPBDFEDLNLMXLE-NHYWBVRUSA-N 1 2 269.385 2.265 10 0 CEAELO CCOC(=O)[C@H](CCN(CC)c1ccccc1)[NH2+]C ZINC000062443679 521242491 /nfs/dbraw/zinc/24/24/91/521242491.db2.gz YPZIZSLMTWBLRO-AWEZNQCLSA-N 1 2 264.369 2.054 10 0 CEAELO CCOC(=O)[C@H](CCOc1cccc(CC)c1)[NH2+]C ZINC000062545247 521247144 /nfs/dbraw/zinc/24/71/44/521247144.db2.gz DTNWAJLHRNXATC-AWEZNQCLSA-N 1 2 265.353 2.169 10 0 CEAELO CCCc1[nH+]c(-c2ccc(OC(F)F)cc2)c(N)n1N ZINC000052839386 521465213 /nfs/dbraw/zinc/46/52/13/521465213.db2.gz XPFNCLQWBUHKDT-UHFFFAOYSA-N 1 2 282.294 2.400 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)Oc1cccc(N(C)C)c1)C(=O)OC ZINC000068652053 522416166 /nfs/dbraw/zinc/41/61/66/522416166.db2.gz IINNDNJTKTVETO-WBMJQRKESA-N 1 2 294.395 2.061 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)Oc1ccccc1OC)C(=O)OC ZINC000068656634 522422412 /nfs/dbraw/zinc/42/24/12/522422412.db2.gz VXLHRYYCMITMSL-NHYWBVRUSA-N 1 2 281.352 2.004 10 0 CEAELO C[NH2+][C@@](C[N@@H+]1CCC[C@@H]1C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069132012 522425615 /nfs/dbraw/zinc/42/56/15/522425615.db2.gz MWMDAGNBIBNGRZ-GDBMZVCRSA-N 1 2 280.412 2.094 10 0 CEAELO C[NH2+][C@@](C[N@H+]1CCC[C@@H]1C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069132012 522425616 /nfs/dbraw/zinc/42/56/16/522425616.db2.gz MWMDAGNBIBNGRZ-GDBMZVCRSA-N 1 2 280.412 2.094 10 0 CEAELO C[NH2+][C@](COC1CCCCCC1)(C(=O)OC)C1CC1 ZINC000069194520 522527687 /nfs/dbraw/zinc/52/76/87/522527687.db2.gz CIYAFDIZOMAQPI-HNNXBMFYSA-N 1 2 269.385 2.267 10 0 CEAELO CNc1ccc(CSc2ncnc3[nH]cnc32)c[nH+]1 ZINC000051037468 522613410 /nfs/dbraw/zinc/61/34/10/522613410.db2.gz PBUYKAVSBKBLQN-UHFFFAOYSA-N 1 2 272.337 2.082 10 0 CEAELO CNc1[nH+]c2cc(OC)ccc2cc1CN1CCOC1=O ZINC000050829246 522689525 /nfs/dbraw/zinc/68/95/25/522689525.db2.gz CSXICLDKSLOKRP-UHFFFAOYSA-N 1 2 287.319 2.237 10 0 CEAELO C[N@H+](CN1c2ccccc2C(=O)C1=O)C1CCCCC1 ZINC000054566257 523008058 /nfs/dbraw/zinc/00/80/58/523008058.db2.gz BCAVGHZESWNENA-UHFFFAOYSA-N 1 2 272.348 2.438 10 0 CEAELO C[N@@H+](CN1c2ccccc2C(=O)C1=O)C1CCCCC1 ZINC000054566257 523008065 /nfs/dbraw/zinc/00/80/65/523008065.db2.gz BCAVGHZESWNENA-UHFFFAOYSA-N 1 2 272.348 2.438 10 0 CEAELO COC(=O)CSCc1cc2ccccc2[nH+]c1N ZINC000050838492 523246264 /nfs/dbraw/zinc/24/62/64/523246264.db2.gz IYTKRXBDJTWDTR-UHFFFAOYSA-N 1 2 262.334 2.223 10 0 CEAELO CCn1cc[nH+]c1CN1C(=O)C(=O)c2c1c(C)ccc2C ZINC000054743668 523523600 /nfs/dbraw/zinc/52/36/00/523523600.db2.gz VWFIDGKXCVAUSG-UHFFFAOYSA-N 1 2 283.331 2.249 10 0 CEAELO COc1ccc(C)cc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680242 523803558 /nfs/dbraw/zinc/80/35/58/523803558.db2.gz OUPMNGVHUXUFJI-UHFFFAOYSA-N 1 2 257.293 2.233 10 0 CEAELO COC(=O)[C@@](C)(CN(C)c1ccc(F)cc1)[NH2+]C(C)C ZINC000049965787 523815470 /nfs/dbraw/zinc/81/54/70/523815470.db2.gz OKFZCRLZZYXELS-OAHLLOKOSA-N 1 2 282.359 2.192 10 0 CEAELO COC(=O)[C@@](C)(Cn1nc(C)c(Cl)c1C)[NH2+]C(C)C ZINC000050588235 523817476 /nfs/dbraw/zinc/81/74/76/523817476.db2.gz HBANKLCABZFJRY-CYBMUJFWSA-N 1 2 287.791 2.083 10 0 CEAELO COC(=O)[C@](C)(CCn1nc(C)c(Cl)c1C)[NH2+]C1CC1 ZINC000050588273 523999194 /nfs/dbraw/zinc/99/91/94/523999194.db2.gz FFSWEQUMRHJMCU-AWEZNQCLSA-N 1 2 299.802 2.227 10 0 CEAELO COc1ncccc1-c1nnc([C@H]([NH3+])c2ccccc2)o1 ZINC000061446864 525031337 /nfs/dbraw/zinc/03/13/37/525031337.db2.gz BFIGKVXMSNWLPG-GFCCVEGCSA-N 1 2 282.303 2.188 10 0 CEAELO COc1ccc2cc(C[N@@H+]3CCO[C@H](C)C3)c(N)nc2c1 ZINC000050792516 525628192 /nfs/dbraw/zinc/62/81/92/525628192.db2.gz DPSCCWTVMRSOSG-LLVKDONJSA-N 1 2 287.363 2.046 10 0 CEAELO COc1ccc2cc(C[N@H+]3CCO[C@H](C)C3)c(N)nc2c1 ZINC000050792516 525628199 /nfs/dbraw/zinc/62/81/99/525628199.db2.gz DPSCCWTVMRSOSG-LLVKDONJSA-N 1 2 287.363 2.046 10 0 CEAELO C[C@@H](O)c1cc(F)ccc1N1CCn2cc[nH+]c2C1 ZINC000062253923 525863794 /nfs/dbraw/zinc/86/37/94/525863794.db2.gz CASAOQFNKNUUKJ-SNVBAGLBSA-N 1 2 261.300 2.096 10 0 CEAELO Cc1csc(CNc2cc[nH+]c(C(N)=S)c2)n1 ZINC000061812976 526362891 /nfs/dbraw/zinc/36/28/91/526362891.db2.gz RUEYIIPWRRDVEH-UHFFFAOYSA-N 1 2 264.379 2.093 10 0 CEAELO c1cc(CNc2ccc(N3CCCC3)[nH+]c2)ncn1 ZINC000054789145 526430490 /nfs/dbraw/zinc/43/04/90/526430490.db2.gz MNXDHBTUVSANOG-UHFFFAOYSA-N 1 2 255.325 2.084 10 0 CEAELO O=C1CCc2cc(F)c(NCc3c[nH+]c[nH]3)cc2N1 ZINC000054764734 526997383 /nfs/dbraw/zinc/99/73/83/526997383.db2.gz BFCNTUDJQNBKKC-UHFFFAOYSA-N 1 2 260.272 2.046 10 0 CEAELO O=C1CCc2cc(F)c(NCc3c[nH]c[nH+]3)cc2N1 ZINC000054764734 526997390 /nfs/dbraw/zinc/99/73/90/526997390.db2.gz BFCNTUDJQNBKKC-UHFFFAOYSA-N 1 2 260.272 2.046 10 0 CEAELO NNc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)[nH+]1 ZINC000051122342 527283884 /nfs/dbraw/zinc/28/38/84/527283884.db2.gz NGKPTHSVJWJBOZ-UHFFFAOYSA-N 1 2 280.690 2.412 10 0 CEAELO Nc1cc(F)ccc1NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000050909786 527454761 /nfs/dbraw/zinc/45/47/61/527454761.db2.gz IADLCUXMYYTJJV-UHFFFAOYSA-N 1 2 285.322 2.362 10 0 CEAELO Nc1ccc(COCc2ccc3c(c2)OCO3)c[nH+]1 ZINC000050831896 527483427 /nfs/dbraw/zinc/48/34/27/527483427.db2.gz VSGLTSZSKDGHLL-UHFFFAOYSA-N 1 2 258.277 2.109 10 0 CEAELO Nc1ccc(Cl)c(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)n1 ZINC000061638277 527485670 /nfs/dbraw/zinc/48/56/70/527485670.db2.gz ZSMOVIWZIXJGHQ-RYUDHWBXSA-N 1 2 267.760 2.071 10 0 CEAELO Nc1ccc(Cl)c(C[N@H+]2CCO[C@H]3CCC[C@@H]32)n1 ZINC000061638277 527485674 /nfs/dbraw/zinc/48/56/74/527485674.db2.gz ZSMOVIWZIXJGHQ-RYUDHWBXSA-N 1 2 267.760 2.071 10 0 CEAELO Nc1ccc(Cl)c(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000061638278 527485685 /nfs/dbraw/zinc/48/56/85/527485685.db2.gz ZSMOVIWZIXJGHQ-NWDGAFQWSA-N 1 2 267.760 2.071 10 0 CEAELO Nc1ccc(Cl)c(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000061638278 527485691 /nfs/dbraw/zinc/48/56/91/527485691.db2.gz ZSMOVIWZIXJGHQ-NWDGAFQWSA-N 1 2 267.760 2.071 10 0 CEAELO OC1CC[NH+](Cc2noc(-c3ccccc3Cl)n2)CC1 ZINC000054622411 527516101 /nfs/dbraw/zinc/51/61/01/527516101.db2.gz QFOOSXHKOGPEOM-UHFFFAOYSA-N 1 2 293.754 2.347 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)c1ccc(O)c(Cl)c1 ZINC000062725766 527537121 /nfs/dbraw/zinc/53/71/21/527537121.db2.gz KKUSSPXSVSIOIP-UHFFFAOYSA-N 1 2 263.684 2.275 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)c1cncc(Br)c1 ZINC000062725904 527537235 /nfs/dbraw/zinc/53/72/35/527537235.db2.gz STPRAYOETFBXAL-UHFFFAOYSA-N 1 2 293.124 2.074 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@@](=O)CCC(=O)NC(C)(C)C ZINC000176882235 528607615 /nfs/dbraw/zinc/60/76/15/528607615.db2.gz PHCIZAHBSZOLBO-FQEVSTJZSA-N 1 2 299.440 2.018 10 0 CEAELO CC(C)C(=O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000092998858 535372168 /nfs/dbraw/zinc/37/21/68/535372168.db2.gz GWMNROCOIYNPBA-UHFFFAOYSA-N 1 2 264.344 2.173 10 0 CEAELO CNc1nc(N2CCSC[C@@H]2C)c(Cl)c[nH+]1 ZINC000087830886 536424025 /nfs/dbraw/zinc/42/40/25/536424025.db2.gz NFGPWPCRYWMPHZ-ZETCQYMHSA-N 1 2 258.778 2.113 10 0 CEAELO c1[nH+]cn2c1CN(Cc1nc3ccccc3[nH]1)CCC2 ZINC000072167571 628831813 /nfs/dbraw/zinc/83/18/13/628831813.db2.gz JRMAQKNORLZVIE-UHFFFAOYSA-N 1 2 267.336 2.165 10 0 CEAELO CCCCC[C@@H](C)CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000079505944 631178387 /nfs/dbraw/zinc/17/83/87/631178387.db2.gz JCQNEDFIBPJTRD-CABCVRRESA-N 1 2 284.444 2.430 10 0 CEAELO O=S1(=O)CC[C@H](CNc2ccc3ccccc3[nH+]2)C1 ZINC000037982192 361970843 /nfs/dbraw/zinc/97/08/43/361970843.db2.gz YNWGTALDGQWAAF-LLVKDONJSA-N 1 2 276.361 2.081 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000220585566 539258556 /nfs/dbraw/zinc/25/85/56/539258556.db2.gz AHEKQTSQKMWALM-LBPRGKRZSA-N 1 2 287.338 2.279 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(F)cc1)CC2 ZINC000220585566 539258557 /nfs/dbraw/zinc/25/85/57/539258557.db2.gz AHEKQTSQKMWALM-LBPRGKRZSA-N 1 2 287.338 2.279 10 0 CEAELO COc1cc(OC)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000126860936 187266680 /nfs/dbraw/zinc/26/66/80/187266680.db2.gz FGDBJGOWCWLVMU-VXGBXAGGSA-N 1 2 295.379 2.322 10 0 CEAELO FC(F)n1ccnc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000177961275 542247739 /nfs/dbraw/zinc/24/77/39/542247739.db2.gz TXMJEUVKRXPKGM-LBPRGKRZSA-N 1 2 294.305 2.327 10 0 CEAELO FC(F)n1ccnc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000177961275 542247743 /nfs/dbraw/zinc/24/77/43/542247743.db2.gz TXMJEUVKRXPKGM-LBPRGKRZSA-N 1 2 294.305 2.327 10 0 CEAELO [NH3+][C@@](CCO)(c1cc(Br)ccc1F)C(F)F ZINC000143766040 344406149 /nfs/dbraw/zinc/40/61/49/344406149.db2.gz PXFPABCLERHSCJ-JTQLQIEISA-N 1 2 298.102 2.390 10 0 CEAELO Clc1ncnc(-n2cc[nH+]c2)c1Br ZINC000236076174 344594336 /nfs/dbraw/zinc/59/43/36/344594336.db2.gz JBNYHZGVTNSIGA-UHFFFAOYSA-N 1 2 259.494 2.078 10 0 CEAELO Cc1cc(I)cc(NC(C)C)[nH+]1 ZINC000584628645 344968783 /nfs/dbraw/zinc/96/87/83/344968783.db2.gz QCIZGYFUZBQIOF-UHFFFAOYSA-N 1 2 276.121 2.237 10 0 CEAELO COC(=O)c1ccc(C)c(NCc2[nH]c[nH+]c2C)c1 ZINC000054794874 362539244 /nfs/dbraw/zinc/53/92/44/362539244.db2.gz KUIZBDOPQXVKNA-UHFFFAOYSA-N 1 2 259.309 2.425 10 0 CEAELO CCc1nnc(C[N@H+](C)Cc2ccc(C)s2)n1C ZINC000171159469 232268524 /nfs/dbraw/zinc/26/85/24/232268524.db2.gz HYCCKJIEHVYOKJ-UHFFFAOYSA-N 1 2 264.398 2.379 10 0 CEAELO CCc1nnc(C[N@@H+](C)Cc2ccc(C)s2)n1C ZINC000171159469 232268526 /nfs/dbraw/zinc/26/85/26/232268526.db2.gz HYCCKJIEHVYOKJ-UHFFFAOYSA-N 1 2 264.398 2.379 10 0 CEAELO CCC[NH2+][C@H](c1csnn1)c1cncc(OCC)c1 ZINC000097381234 185595190 /nfs/dbraw/zinc/59/51/90/185595190.db2.gz SEIDXKRUKHTYSA-ZDUSSCGKSA-N 1 2 278.381 2.421 10 0 CEAELO C[NH2+][C@H](c1csnn1)c1cc(C)c(OC)cc1C ZINC000097388987 185596258 /nfs/dbraw/zinc/59/62/58/185596258.db2.gz GSACRCOJJZYLLB-ZDUSSCGKSA-N 1 2 263.366 2.472 10 0 CEAELO C[C@@H]1C[S@](=O)C[C@H](c2ccc(Br)cc2)[NH2+]1 ZINC000085311760 179014061 /nfs/dbraw/zinc/01/40/61/179014061.db2.gz VPKPLCVJCMDIRV-BGFNQPPGSA-N 1 2 288.210 2.231 10 0 CEAELO CCc1[nH+]c(C2CC2)nc(N)c1I ZINC000085460615 179068580 /nfs/dbraw/zinc/06/85/80/179068580.db2.gz YQJXVLSMUYIQKE-UHFFFAOYSA-N 1 2 289.120 2.103 10 0 CEAELO Cc1nc(N)c(I)c(C(C)C)[nH+]1 ZINC000085461017 179068711 /nfs/dbraw/zinc/06/87/11/179068711.db2.gz WVXWPQPTXOJFPK-UHFFFAOYSA-N 1 2 277.109 2.095 10 0 CEAELO Cc1[nH+]c([C@@H]2C[C@@H]2C)nc(N)c1I ZINC000085459587 179069023 /nfs/dbraw/zinc/06/90/23/179069023.db2.gz TUEUIALHLQKBBG-UJURSFKZSA-N 1 2 289.120 2.095 10 0 CEAELO CCCNc1nc(N(C)C)[nH+]cc1Br ZINC000085462026 179069157 /nfs/dbraw/zinc/06/91/57/179069157.db2.gz OMAIXFAADZSISX-UHFFFAOYSA-N 1 2 259.151 2.127 10 0 CEAELO CC[NH2+][C@](COc1cc(C)ccc1F)(C(=O)OC)C1CC1 ZINC000085560253 179093624 /nfs/dbraw/zinc/09/36/24/179093624.db2.gz CAZNNLKCPITROS-INIZCTEOSA-N 1 2 295.354 2.444 10 0 CEAELO CCOC(=O)[C@H](COc1cc(C)ccc1F)[NH2+]C(C)C ZINC000085561090 179094550 /nfs/dbraw/zinc/09/45/50/179094550.db2.gz QMYJHXHGEPRNBQ-ZDUSSCGKSA-N 1 2 283.343 2.443 10 0 CEAELO CC1(C)[C@H](Nc2ccc(-n3cc[nH+]c3)nc2)[C@@H]2CCO[C@@H]21 ZINC000085633185 179108770 /nfs/dbraw/zinc/10/87/70/179108770.db2.gz AXZPDBTXYJMAHX-CFVMTHIKSA-N 1 2 284.363 2.493 10 0 CEAELO O=C(Cc1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000085752753 179144563 /nfs/dbraw/zinc/14/45/63/179144563.db2.gz FXANEIFIOJCQNT-UHFFFAOYSA-N 1 2 273.376 2.443 10 0 CEAELO CC[N@@H+]1CCN(c2nc3c(s2)CCCC3=O)C[C@@H]1C ZINC000086441835 179293750 /nfs/dbraw/zinc/29/37/50/179293750.db2.gz AYUORHPOSRQNHB-JTQLQIEISA-N 1 2 279.409 2.193 10 0 CEAELO CC[N@H+]1CCN(c2nc3c(s2)CCCC3=O)C[C@@H]1C ZINC000086441835 179293751 /nfs/dbraw/zinc/29/37/51/179293751.db2.gz AYUORHPOSRQNHB-JTQLQIEISA-N 1 2 279.409 2.193 10 0 CEAELO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000086672509 179317879 /nfs/dbraw/zinc/31/78/79/179317879.db2.gz NPDOPLAPOWNYKL-HUUCEWRRSA-N 1 2 296.436 2.439 10 0 CEAELO CC(C)c1csc([C@]2([NH3+])CCC[C@H]2S(C)(=O)=O)n1 ZINC000086679302 179319429 /nfs/dbraw/zinc/31/94/29/179319429.db2.gz AFGAGKRJPUNGFS-PWSUYJOCSA-N 1 2 288.438 2.018 10 0 CEAELO CCOC(=O)N1CCC[C@H](c2cccc(N)[nH+]2)CC1 ZINC000616628823 348540621 /nfs/dbraw/zinc/54/06/21/348540621.db2.gz PPKGLNPHUQIYDP-NSHDSACASA-N 1 2 263.341 2.390 10 0 CEAELO c1cc([C@H]2COCCC[N@H+]2Cc2ccccc2)n[nH]1 ZINC000616647482 348546031 /nfs/dbraw/zinc/54/60/31/348546031.db2.gz LWIBVXHWDUUCOG-OAHLLOKOSA-N 1 2 257.337 2.373 10 0 CEAELO c1cc([C@H]2COCCC[N@@H+]2Cc2ccccc2)n[nH]1 ZINC000616647482 348546033 /nfs/dbraw/zinc/54/60/33/348546033.db2.gz LWIBVXHWDUUCOG-OAHLLOKOSA-N 1 2 257.337 2.373 10 0 CEAELO CCCn1cc[nH+]c1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000067935420 362931336 /nfs/dbraw/zinc/93/13/36/362931336.db2.gz SQQIZJKKFAIOIF-ZIAGYGMSSA-N 1 2 263.385 2.437 10 0 CEAELO CCn1c[nH+]cc1C[S@@](=O)c1ccc(F)cc1 ZINC000090235992 179937109 /nfs/dbraw/zinc/93/71/09/179937109.db2.gz MZQHJSNLENQEHT-KRWDZBQOSA-N 1 2 252.314 2.350 10 0 CEAELO COC(=O)[C@@](CO[C@@H](C)C(F)(F)F)([NH2+]C(C)C)C1CC1 ZINC000090674444 180021433 /nfs/dbraw/zinc/02/14/33/180021433.db2.gz YINBJPJPHUNCBL-CABZTGNLSA-N 1 2 297.317 2.274 10 0 CEAELO CCOC(=O)[C@H](CCO[C@@H](C)C(F)(F)F)[NH2+]C1CC1 ZINC000090674181 180021537 /nfs/dbraw/zinc/02/15/37/180021537.db2.gz STWKMVRLBXATPM-WPRPVWTQSA-N 1 2 283.290 2.028 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)O[C@@H](C)C(F)(F)F)[NH2+]C ZINC000090674285 180021742 /nfs/dbraw/zinc/02/17/42/180021742.db2.gz AVUCRYDHVRAVPL-YWVKMMECSA-N 1 2 285.306 2.274 10 0 CEAELO COC(=O)[C@](C)(C[C@@H](C)O[C@@H](C)C(F)(F)F)[NH2+]C1CC1 ZINC000090674641 180022261 /nfs/dbraw/zinc/02/22/61/180022261.db2.gz FGPKNRYXYXXVDU-PTRXPTGYSA-N 1 2 297.317 2.416 10 0 CEAELO COC(=O)c1cc(NC[C@H]2CCCC[C@H]2CO)cc[nH+]1 ZINC000090738635 180035132 /nfs/dbraw/zinc/03/51/32/180035132.db2.gz LWQVAYDFUWLXCT-NEPJUHHUSA-N 1 2 278.352 2.079 10 0 CEAELO COc1ncnc(-n2cc[nH+]c2-c2ccc(N)cc2)c1C ZINC000090788949 180041197 /nfs/dbraw/zinc/04/11/97/180041197.db2.gz IMLKFGMLQIWXEY-UHFFFAOYSA-N 1 2 281.319 2.229 10 0 CEAELO Cc1ccccc1N[C@H](C(N)=O)c1c[nH+]cn1C(C)C ZINC000091272565 180117992 /nfs/dbraw/zinc/11/79/92/180117992.db2.gz GNBNRCKBXAGJDH-AWEZNQCLSA-N 1 2 272.352 2.411 10 0 CEAELO O[C@H](c1c[nH+]cn1C1CC1)c1ccc2c(c1)OCCCO2 ZINC000091277362 180119593 /nfs/dbraw/zinc/11/95/93/180119593.db2.gz CRZGSQKZFOAQAW-INIZCTEOSA-N 1 2 286.331 2.461 10 0 CEAELO COc1ccc(OC)c([C@H](O)c2c[nH+]cn2C2CC2)c1 ZINC000091277454 180119898 /nfs/dbraw/zinc/11/98/98/180119898.db2.gz DDRHCNZATPDVDS-HNNXBMFYSA-N 1 2 274.320 2.317 10 0 CEAELO COc1ccc([C@H](O)c2c[nH+]cn2C2CC2)cc1OC ZINC000091277546 180120456 /nfs/dbraw/zinc/12/04/56/180120456.db2.gz CYCWSBIGADINRL-HNNXBMFYSA-N 1 2 274.320 2.317 10 0 CEAELO CCOC(=O)c1ccnc(Nc2ccc[nH+]c2C)c1N ZINC000091497976 180173111 /nfs/dbraw/zinc/17/31/11/180173111.db2.gz NYDVTBBLAIFPOE-UHFFFAOYSA-N 1 2 272.308 2.288 10 0 CEAELO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000091501773 180175502 /nfs/dbraw/zinc/17/55/02/180175502.db2.gz DDXKYTYPHJNBBN-LBPRGKRZSA-N 1 2 287.407 2.422 10 0 CEAELO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1Cc2ccc(N)cc2C1 ZINC000091501773 180175504 /nfs/dbraw/zinc/17/55/04/180175504.db2.gz DDXKYTYPHJNBBN-LBPRGKRZSA-N 1 2 287.407 2.422 10 0 CEAELO COC(=O)c1cc(N[C@H](CO)c2ccccc2)cc[nH+]1 ZINC000091544826 180185742 /nfs/dbraw/zinc/18/57/42/180185742.db2.gz NMQHZIRZJYUYJI-CQSZACIVSA-N 1 2 272.304 2.014 10 0 CEAELO CCNc1cc(C(C)(C)C)nc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000091722769 180241386 /nfs/dbraw/zinc/24/13/86/180241386.db2.gz PHELDIUQCJKMJV-NSHDSACASA-N 1 2 278.400 2.209 10 0 CEAELO CCNc1cc(C(C)(C)C)nc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000091722769 180241390 /nfs/dbraw/zinc/24/13/90/180241390.db2.gz PHELDIUQCJKMJV-NSHDSACASA-N 1 2 278.400 2.209 10 0 CEAELO C[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)CCS1 ZINC000105614554 186066176 /nfs/dbraw/zinc/06/61/76/186066176.db2.gz NNCPVBDTJYBRPC-SECBINFHSA-N 1 2 265.338 2.267 10 0 CEAELO C[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)CCS1 ZINC000105614554 186066177 /nfs/dbraw/zinc/06/61/77/186066177.db2.gz NNCPVBDTJYBRPC-SECBINFHSA-N 1 2 265.338 2.267 10 0 CEAELO CC(=O)c1ccc(SC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092080043 180318461 /nfs/dbraw/zinc/31/84/61/180318461.db2.gz UNRXFYRIIWXTBX-ZDUSSCGKSA-N 1 2 265.378 2.312 10 0 CEAELO CC(=O)c1ccc(SC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092080043 180318463 /nfs/dbraw/zinc/31/84/63/180318463.db2.gz UNRXFYRIIWXTBX-ZDUSSCGKSA-N 1 2 265.378 2.312 10 0 CEAELO Cc1nn(C)c(C)c1CNc1nc[nH+]c2cc(N)ccc21 ZINC000092324895 180362520 /nfs/dbraw/zinc/36/25/20/180362520.db2.gz JWLKNSTUJKVUQQ-UHFFFAOYSA-N 1 2 282.351 2.174 10 0 CEAELO Cc1noc(C)c1[C@@H](C)n1c2ccc(N)cc2[nH+]c1CO ZINC000092341816 180365606 /nfs/dbraw/zinc/36/56/06/180365606.db2.gz XEIGODXETYYYOH-SECBINFHSA-N 1 2 286.335 2.325 10 0 CEAELO Cc1cc(NC(=O)c2cc(F)c(NN)c(F)c2)cc[nH+]1 ZINC000092366326 180368800 /nfs/dbraw/zinc/36/88/00/180368800.db2.gz AJPATTLKDMTBRL-UHFFFAOYSA-N 1 2 278.262 2.206 10 0 CEAELO CC(=O)c1csc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000106635306 186129874 /nfs/dbraw/zinc/12/98/74/186129874.db2.gz MBPSEIQHLOYPSS-ZDUSSCGKSA-N 1 2 292.404 2.261 10 0 CEAELO CC(=O)c1csc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000106635306 186129875 /nfs/dbraw/zinc/12/98/75/186129875.db2.gz MBPSEIQHLOYPSS-ZDUSSCGKSA-N 1 2 292.404 2.261 10 0 CEAELO NNc1cc[nH+]c(Cn2ccnc2-c2ccccc2)c1 ZINC000092425477 180383672 /nfs/dbraw/zinc/38/36/72/180383672.db2.gz LYPYWSPGTXZJJH-UHFFFAOYSA-N 1 2 265.320 2.279 10 0 CEAELO CCCc1nn(C)c2c1[nH+]c(N)n2[C@H](CCC)COC ZINC000092580828 180407196 /nfs/dbraw/zinc/40/71/96/180407196.db2.gz LPJHJTGAYHZXEI-SNVBAGLBSA-N 1 2 279.388 2.292 10 0 CEAELO COc1ccc([C@@H]([NH3+])c2noc(C)n2)c(Cl)c1OC ZINC000110831210 186328634 /nfs/dbraw/zinc/32/86/34/186328634.db2.gz DHZHPWTZRQADGU-SNVBAGLBSA-N 1 2 283.715 2.097 10 0 CEAELO COC(=O)C1=C(O)CC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000070460777 363088620 /nfs/dbraw/zinc/08/86/20/363088620.db2.gz BIBUTFGOCMQACR-OAHLLOKOSA-N 1 2 289.375 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ZINC000191328777 153169870 /nfs/dbraw/zinc/16/98/70/153169870.db2.gz XXYFVPGJQCWQAU-ZIAGYGMSSA-N 1 2 296.436 2.458 10 0 CEAELO FC(F)(F)COCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000193721657 153242991 /nfs/dbraw/zinc/24/29/91/153242991.db2.gz FZSCZOKFQNDROZ-QWRGUYRKSA-N 1 2 267.291 2.209 10 0 CEAELO FC(F)(F)COCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000193721657 153242993 /nfs/dbraw/zinc/24/29/93/153242993.db2.gz FZSCZOKFQNDROZ-QWRGUYRKSA-N 1 2 267.291 2.209 10 0 CEAELO CC(C)n1nnnc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000195043002 153271286 /nfs/dbraw/zinc/27/12/86/153271286.db2.gz VCWWBGHSPRMLAZ-UHFFFAOYSA-N 1 2 299.378 2.249 10 0 CEAELO CC(C)n1nnnc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000195043002 153271293 /nfs/dbraw/zinc/27/12/93/153271293.db2.gz VCWWBGHSPRMLAZ-UHFFFAOYSA-N 1 2 299.378 2.249 10 0 CEAELO CC(C)(C)c1noc(C[NH+]2CCC(c3cc[nH]n3)CC2)n1 ZINC000195507681 153293040 /nfs/dbraw/zinc/29/30/40/153293040.db2.gz HAIAYNZQISEJCB-UHFFFAOYSA-N 1 2 289.383 2.470 10 0 CEAELO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ncc[nH]1 ZINC000139087638 287063463 /nfs/dbraw/zinc/06/34/63/287063463.db2.gz OQECRJZNLOSCLZ-GHMZBOCLSA-N 1 2 293.392 2.225 10 0 CEAELO Cc1nnc([C@H]2C[N@H+](C/C=C/c3ccccc3)CCO2)[nH]1 ZINC000173684907 165077664 /nfs/dbraw/zinc/07/76/64/165077664.db2.gz BHXPOQGYOMBGPB-SBJJXXPASA-N 1 2 284.363 2.200 10 0 CEAELO Cc1nnc([C@H]2C[N@@H+](C/C=C/c3ccccc3)CCO2)[nH]1 ZINC000173684907 165077667 /nfs/dbraw/zinc/07/76/67/165077667.db2.gz BHXPOQGYOMBGPB-SBJJXXPASA-N 1 2 284.363 2.200 10 0 CEAELO Cc1nc([C@H]2C[N@H+](C[C@@H](C)c3ccccc3)CCO2)n[nH]1 ZINC000173683181 165079355 /nfs/dbraw/zinc/07/93/55/165079355.db2.gz AXBUHQLCGQMTLT-IUODEOHRSA-N 1 2 286.379 2.290 10 0 CEAELO Cc1nc([C@H]2C[N@@H+](C[C@@H](C)c3ccccc3)CCO2)n[nH]1 ZINC000173683181 165079357 /nfs/dbraw/zinc/07/93/57/165079357.db2.gz AXBUHQLCGQMTLT-IUODEOHRSA-N 1 2 286.379 2.290 10 0 CEAELO C[C@H](NC(=O)c1ccn[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173929538 165089974 /nfs/dbraw/zinc/08/99/74/165089974.db2.gz XZUYTLSPPMHWOJ-NSHDSACASA-N 1 2 281.319 2.086 10 0 CEAELO C[C@H](NC(=O)c1cnn(C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173949696 165091085 /nfs/dbraw/zinc/09/10/85/165091085.db2.gz ZUXYQVMHQAXUFR-LBPRGKRZSA-N 1 2 295.346 2.097 10 0 CEAELO CC(C)c1noc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000177964867 165217290 /nfs/dbraw/zinc/21/72/90/165217290.db2.gz BRJQZFFWVCACFK-CYBMUJFWSA-N 1 2 288.351 2.241 10 0 CEAELO CC(C)c1noc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000177964867 165217299 /nfs/dbraw/zinc/21/72/99/165217299.db2.gz BRJQZFFWVCACFK-CYBMUJFWSA-N 1 2 288.351 2.241 10 0 CEAELO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000178722540 165256262 /nfs/dbraw/zinc/25/62/62/165256262.db2.gz JTSJUVKWSKPKOP-WDEREUQCSA-N 1 2 275.377 2.384 10 0 CEAELO C[C@H]1C[N@H+](Cc2nnc(C3CC3)n2C2CC2)CCS1 ZINC000181259283 165336472 /nfs/dbraw/zinc/33/64/72/165336472.db2.gz CDSSETVBXOQLEE-JTQLQIEISA-N 1 2 278.425 2.428 10 0 CEAELO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)n2C2CC2)CCS1 ZINC000181259283 165336477 /nfs/dbraw/zinc/33/64/77/165336477.db2.gz CDSSETVBXOQLEE-JTQLQIEISA-N 1 2 278.425 2.428 10 0 CEAELO Cc1c[nH]c(CN(C)Cc2noc3c2CCCC3)[nH+]1 ZINC000020599215 171266162 /nfs/dbraw/zinc/26/61/62/171266162.db2.gz IHYJHDFURYZVHF-UHFFFAOYSA-N 1 2 260.341 2.217 10 0 CEAELO CC(C)N(Cc1[nH]nc2c1CCCC2)Cc1[nH+]ccn1C ZINC000020819218 171273661 /nfs/dbraw/zinc/27/36/61/171273661.db2.gz JIBYWZNDIGBQKH-UHFFFAOYSA-N 1 2 287.411 2.433 10 0 CEAELO C[C@H](C(=O)Nc1ccc(Cl)cc1N)n1cc[nH+]c1 ZINC000022172452 171368704 /nfs/dbraw/zinc/36/87/04/171368704.db2.gz NTKFIPGIHVSBIQ-MRVPVSSYSA-N 1 2 264.716 2.318 10 0 CEAELO C[C@H]([NH2+][C@@H]1CSCc2ccccc21)c1nncn1C ZINC000037293918 173098829 /nfs/dbraw/zinc/09/88/29/173098829.db2.gz UKCAGPJMWSUSOG-GXFFZTMASA-N 1 2 274.393 2.454 10 0 CEAELO CC[C@@H]1CCC[N@H+](CC(=O)c2ccc(O)cc2O)C1 ZINC000037339491 173140115 /nfs/dbraw/zinc/14/01/15/173140115.db2.gz GEESHSWMIVPAFS-LLVKDONJSA-N 1 2 263.337 2.403 10 0 CEAELO CC[C@@H]1CCC[N@@H+](CC(=O)c2ccc(O)cc2O)C1 ZINC000037339491 173140117 /nfs/dbraw/zinc/14/01/17/173140117.db2.gz GEESHSWMIVPAFS-LLVKDONJSA-N 1 2 263.337 2.403 10 0 CEAELO CCC[NH2+][C@](CC)(C(=O)OC)c1ccc(O)cc1 ZINC000037459145 173223879 /nfs/dbraw/zinc/22/38/79/173223879.db2.gz CHSHWYWCIZHTRY-AWEZNQCLSA-N 1 2 251.326 2.170 10 0 CEAELO CCC[NH2+][C@@](CC)(C(=O)OC)c1ccc(O)cc1 ZINC000037459146 173224203 /nfs/dbraw/zinc/22/42/03/173224203.db2.gz CHSHWYWCIZHTRY-CQSZACIVSA-N 1 2 251.326 2.170 10 0 CEAELO CCC[NH2+][C@](C)(C(=O)OC)c1ccc(OCC)cc1 ZINC000037459174 173224460 /nfs/dbraw/zinc/22/44/60/173224460.db2.gz SKSLRRSBLIVGEK-HNNXBMFYSA-N 1 2 265.353 2.473 10 0 CEAELO CCOC(=O)[C@](C)([NH3+])c1cccc(C(F)(F)F)c1 ZINC000037514817 173246712 /nfs/dbraw/zinc/24/67/12/173246712.db2.gz SLGHGYSOWUIHQC-LLVKDONJSA-N 1 2 261.243 2.442 10 0 CEAELO Cc1noc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000038034230 174032733 /nfs/dbraw/zinc/03/27/33/174032733.db2.gz JICRZNXKWCUHMI-UHFFFAOYSA-N 1 2 295.726 2.092 10 0 CEAELO Cc1noc(C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)n1 ZINC000038034957 174033561 /nfs/dbraw/zinc/03/35/61/174033561.db2.gz DQVBQUXFNLQXEP-OAHLLOKOSA-N 1 2 283.331 2.354 10 0 CEAELO Cc1csc(C[NH2+][C@H]2COc3cc(O)ccc32)n1 ZINC000038090553 174103994 /nfs/dbraw/zinc/10/39/94/174103994.db2.gz CGXALDMUELKSKJ-NSHDSACASA-N 1 2 262.334 2.380 10 0 CEAELO CC(C)(C)Nc1[nH+]cnc(Nc2cccnc2)c1N ZINC000040680549 174375202 /nfs/dbraw/zinc/37/52/02/174375202.db2.gz ARWMJOLCZPQQMG-UHFFFAOYSA-N 1 2 258.329 2.408 10 0 CEAELO Nc1c(NCc2ccc(F)cc2)nc[nH+]c1N1CCCC1 ZINC000040724540 174386810 /nfs/dbraw/zinc/38/68/10/174386810.db2.gz PTKBFAGMCIMQQH-UHFFFAOYSA-N 1 2 287.342 2.410 10 0 CEAELO COCCNc1[nH+]cnc(Nc2ccc(F)c(F)c2)c1N ZINC000040783984 174405386 /nfs/dbraw/zinc/40/53/86/174405386.db2.gz AAQUHQCDOCPIRY-UHFFFAOYSA-N 1 2 295.293 2.139 10 0 CEAELO COCCNc1nc[nH+]c(Nc2ccc(F)c(F)c2)c1N ZINC000040783984 174405388 /nfs/dbraw/zinc/40/53/88/174405388.db2.gz AAQUHQCDOCPIRY-UHFFFAOYSA-N 1 2 295.293 2.139 10 0 CEAELO C[C@@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@@H](C)O1 ZINC000663313284 414910431 /nfs/dbraw/zinc/91/04/31/414910431.db2.gz WLICFBPPTDPZMO-GHMZBOCLSA-N 1 2 257.337 2.431 10 0 CEAELO Cc1ccc(C(N)=O)c(N[C@H](C)c2ccc(N)cc2)[nH+]1 ZINC000043396059 175036112 /nfs/dbraw/zinc/03/61/12/175036112.db2.gz SIRHVWUKWXVUPL-SNVBAGLBSA-N 1 2 270.336 2.244 10 0 CEAELO CCN[C@H](C[N@H+](C)CC)c1cc(OC)ccc1OC ZINC000043820458 175113709 /nfs/dbraw/zinc/11/37/09/175113709.db2.gz DBELRMHPAPCLBQ-CQSZACIVSA-N 1 2 266.385 2.306 10 0 CEAELO CCN[C@H](C[N@@H+](C)CC)c1cc(OC)ccc1OC ZINC000043820458 175113710 /nfs/dbraw/zinc/11/37/10/175113710.db2.gz DBELRMHPAPCLBQ-CQSZACIVSA-N 1 2 266.385 2.306 10 0 CEAELO COCC[C@H](C)[NH2+]c1ccc(OCC(=O)OC)cc1 ZINC000045019904 175291923 /nfs/dbraw/zinc/29/19/23/175291923.db2.gz KLBSDFQFINIPBM-NSHDSACASA-N 1 2 267.325 2.075 10 0 CEAELO C[N@H+](CC(=O)c1ccc(O)cc1O)CC(C)(C)C ZINC000045084816 175303753 /nfs/dbraw/zinc/30/37/53/175303753.db2.gz DIMZUNQGXMMCHF-UHFFFAOYSA-N 1 2 251.326 2.258 10 0 CEAELO C[N@@H+](CC(=O)c1ccc(O)cc1O)CC(C)(C)C ZINC000045084816 175303754 /nfs/dbraw/zinc/30/37/54/175303754.db2.gz DIMZUNQGXMMCHF-UHFFFAOYSA-N 1 2 251.326 2.258 10 0 CEAELO Nc1cc2c(cc1NCCCCn1cc[nH+]c1)OCCO2 ZINC000045105648 175307444 /nfs/dbraw/zinc/30/74/44/175307444.db2.gz VHIAOLUIMUNHNQ-UHFFFAOYSA-N 1 2 288.351 2.129 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231091 175334733 /nfs/dbraw/zinc/33/47/33/175334733.db2.gz IHDWSOLGKXKHAN-CQSZACIVSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231091 175334735 /nfs/dbraw/zinc/33/47/35/175334735.db2.gz IHDWSOLGKXKHAN-CQSZACIVSA-N 1 2 256.390 2.094 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274670 175345211 /nfs/dbraw/zinc/34/52/11/175345211.db2.gz KFADLMADPZPMPL-SMDDNHRTSA-N 1 2 258.406 2.194 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274670 175345212 /nfs/dbraw/zinc/34/52/12/175345212.db2.gz KFADLMADPZPMPL-SMDDNHRTSA-N 1 2 258.406 2.194 10 0 CEAELO CCN(C[C@@H]([NH2+]C(C)C)C(=O)OC)c1ccccc1 ZINC000045379843 175369195 /nfs/dbraw/zinc/36/91/95/175369195.db2.gz WUPFIGAHDREEPH-CQSZACIVSA-N 1 2 264.369 2.053 10 0 CEAELO CC[N@H+](CCC[C@](C)([NH3+])C(=O)[O-])c1ccccc1 ZINC000045379776 175369264 /nfs/dbraw/zinc/36/92/64/175369264.db2.gz FVUFBJJUKSMTBQ-AWEZNQCLSA-N 1 2 250.342 2.095 10 0 CEAELO CC[N@@H+](CCC[C@](C)([NH3+])C(=O)[O-])c1ccccc1 ZINC000045379776 175369265 /nfs/dbraw/zinc/36/92/65/175369265.db2.gz FVUFBJJUKSMTBQ-AWEZNQCLSA-N 1 2 250.342 2.095 10 0 CEAELO CCCN(C[C@@H]([NH2+]C(C)C)C(=O)OCC)CC(F)(F)F ZINC000045420790 175379376 /nfs/dbraw/zinc/37/93/76/175379376.db2.gz LUTDCLLZYMBWED-LLVKDONJSA-N 1 2 298.349 2.190 10 0 CEAELO Cn1cc[nH+]c1CNc1ccc(N)c(OC(C)(C)C)n1 ZINC000071275464 176106775 /nfs/dbraw/zinc/10/67/75/176106775.db2.gz LCOFNQUIWNEKLL-UHFFFAOYSA-N 1 2 275.356 2.187 10 0 CEAELO Cc1ccc2[nH+]c(CCNC(=O)c3ccncc3)cn2c1 ZINC000071490608 176190755 /nfs/dbraw/zinc/19/07/55/176190755.db2.gz RXTIKNZUKGADRU-UHFFFAOYSA-N 1 2 280.331 2.010 10 0 CEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H](C2CCC2)C1 ZINC000662717422 415942039 /nfs/dbraw/zinc/94/20/39/415942039.db2.gz ZNTKZZSPIRZUEG-RYUDHWBXSA-N 1 2 272.339 2.022 10 0 CEAELO CCN(C(=O)C[NH+]1[C@H](C)COC[C@H]1C)c1ccccc1 ZINC000077657773 177291779 /nfs/dbraw/zinc/29/17/79/177291779.db2.gz OHSPXSFZCIWYRZ-ZIAGYGMSSA-N 1 2 276.380 2.149 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cccc(Br)c1 ZINC000078723232 177375890 /nfs/dbraw/zinc/37/58/90/177375890.db2.gz PZULERBCDSMQQR-UHFFFAOYSA-N 1 2 294.152 2.145 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cccc(Br)c1 ZINC000078723232 177375891 /nfs/dbraw/zinc/37/58/91/177375891.db2.gz PZULERBCDSMQQR-UHFFFAOYSA-N 1 2 294.152 2.145 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cc(Cl)nc(Cl)c1 ZINC000078742503 177380704 /nfs/dbraw/zinc/38/07/04/177380704.db2.gz MNYSMZFZRBSZDI-UHFFFAOYSA-N 1 2 285.134 2.084 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cc(Cl)nc(Cl)c1 ZINC000078742503 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Cc1[nH+]c(I)c2ccc(F)cn12 ZINC000095835734 293285884 /nfs/dbraw/zinc/28/58/84/293285884.db2.gz SCNNABVEEHXIGI-UHFFFAOYSA-N 1 2 276.052 2.386 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1ccc(C)cc1C)C(=O)OC ZINC000062529022 520086950 /nfs/dbraw/zinc/08/69/50/520086950.db2.gz IWMDEAHXGZOCGI-AWEZNQCLSA-N 1 2 278.396 2.281 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1ccc(CC)cc1)C(=O)OC ZINC000062528684 520085767 /nfs/dbraw/zinc/08/57/67/520085767.db2.gz KOEMBMCYOLIQLE-HNNXBMFYSA-N 1 2 278.396 2.226 10 0 CEAELO CCC[NH2+][C@](C[N@H+](C)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069097425 520117482 /nfs/dbraw/zinc/11/74/82/520117482.db2.gz DTOZPGVFRVQFEP-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](C)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069097425 520117490 /nfs/dbraw/zinc/11/74/90/520117490.db2.gz DTOZPGVFRVQFEP-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@H](CCN(C)c1cc(C)cc(C)c1)C(=O)OC ZINC000062528852 520187678 /nfs/dbraw/zinc/18/76/78/520187678.db2.gz IUUQVXMWGDFGEF-OAHLLOKOSA-N 1 2 278.396 2.281 10 0 CEAELO CC[N@H+](C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CCCC1 ZINC000069099220 521274832 /nfs/dbraw/zinc/27/48/32/521274832.db2.gz OOQKLMSIITYQEU-MRXNPFEDSA-N 1 2 280.412 2.236 10 0 CEAELO CC[N@@H+](C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CCCC1 ZINC000069099220 521274840 /nfs/dbraw/zinc/27/48/40/521274840.db2.gz OOQKLMSIITYQEU-MRXNPFEDSA-N 1 2 280.412 2.236 10 0 CEAELO CCOC(=O)[C@]([NH3+])(COCCC(C)C)c1ccccc1 ZINC000045478701 521348355 /nfs/dbraw/zinc/34/83/55/521348355.db2.gz KEJHMQUJBCHDFZ-INIZCTEOSA-N 1 2 279.380 2.466 10 0 CEAELO C[NH2+][C@H](CCSc1ccc2c(c1)CCC2)C(=O)OC ZINC000062600486 522464638 /nfs/dbraw/zinc/46/46/38/522464638.db2.gz CBJURFQAMIUXKO-CQSZACIVSA-N 1 2 279.405 2.419 10 0 CEAELO CC(C)(C)c1nnc2n1CC[NH2+][C@@H]2c1ccccc1 ZINC000053711299 519128456 /nfs/dbraw/zinc/12/84/56/519128456.db2.gz JKNIYUDRFFEUFE-GFCCVEGCSA-N 1 2 256.353 2.268 10 0 CEAELO CC(C)[NH2+][C@@](C[NH+]1CCC(C)(C)CC1)(C(=O)[O-])C1CC1 ZINC000069232046 519737361 /nfs/dbraw/zinc/73/73/61/519737361.db2.gz 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520150489 /nfs/dbraw/zinc/15/04/89/520150489.db2.gz VQQMQIWAGXAFOH-MRXNPFEDSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@@](C[N@@H+](C)C1CCCCCC1)(C(=O)[O-])C1CC1 ZINC000069100519 520150492 /nfs/dbraw/zinc/15/04/92/520150492.db2.gz VQQMQIWAGXAFOH-MRXNPFEDSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@@](COc1ccc(F)cc1)(C(=O)OC)C1CC1 ZINC000069197516 520157946 /nfs/dbraw/zinc/15/79/46/520157946.db2.gz MOVWUNXKQFOWCX-OAHLLOKOSA-N 1 2 281.327 2.136 10 0 CEAELO CC[NH2+][C@@](Cn1nc(C)c(Cl)c1C)(C(=O)OC)C1CC1 ZINC000069193692 520160620 /nfs/dbraw/zinc/16/06/20/520160620.db2.gz XBISEINEABLBDY-CQSZACIVSA-N 1 2 299.802 2.085 10 0 CEAELO CC[NH2+][C@H](Cn1cc(-c2ccccc2)cn1)C(=O)OCC ZINC000054961888 520206169 /nfs/dbraw/zinc/20/61/69/520206169.db2.gz OOBQXVACBNTAAH-OAHLLOKOSA-N 1 2 287.363 2.091 10 0 CEAELO CC[NH2+][C@](CSC(C)(C)C)(C(=O)OC)C1CC1 ZINC000069185270 520252887 /nfs/dbraw/zinc/25/28/87/520252887.db2.gz JRTGNAKNQLDTPX-ZDUSSCGKSA-N 1 2 259.415 2.449 10 0 CEAELO CCNc1ccc(CN2C(=O)c3ccccc3C2=O)c[nH+]1 ZINC000050828881 520301076 /nfs/dbraw/zinc/30/10/76/520301076.db2.gz YEURCWMZIYNFAV-UHFFFAOYSA-N 1 2 281.315 2.310 10 0 CEAELO CCOC(=O)[C@H](C)N[C@H](c1cccs1)c1[nH+]ccn1C ZINC000049371256 521214252 /nfs/dbraw/zinc/21/42/52/521214252.db2.gz PRLUQJZONHHEKG-CMPLNLGQSA-N 1 2 293.392 2.112 10 0 CEAELO CCOC(=O)[C@H](CCO[C@H]1CCC[C@H](OC)C1)[NH2+]C1CC1 ZINC000069541901 521247030 /nfs/dbraw/zinc/24/70/30/521247030.db2.gz FVQAQXDALFRDCO-KKUMJFAQSA-N 1 2 299.411 2.034 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)Oc1ccc(OC)cc1)[NH2+]C ZINC000068656809 521322310 /nfs/dbraw/zinc/32/23/10/521322310.db2.gz YGLROIXQEHEYCU-WBMJQRKESA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@](Cn1nc(C)cc1C)([NH2+]C(C)C)C1CC1 ZINC000069192074 521344863 /nfs/dbraw/zinc/34/48/63/521344863.db2.gz XRJFLBYTAHJHBN-MRXNPFEDSA-N 1 2 293.411 2.210 10 0 CEAELO CCC(CC)[N@@H+](CCOC)Cc1nnsc1NC ZINC000050817554 521561346 /nfs/dbraw/zinc/56/13/46/521561346.db2.gz GNTCSWHNGOIDFU-UHFFFAOYSA-N 1 2 272.418 2.217 10 0 CEAELO CCC[N@H+](CC(=O)NC)Cc1nc(NCC)ccc1Cl ZINC000061638676 521547119 /nfs/dbraw/zinc/54/71/19/521547119.db2.gz LIWPVLUXPUNJQP-UHFFFAOYSA-N 1 2 298.818 2.125 10 0 CEAELO CCC[N@@H+](CC(=O)NC)Cc1nc(NCC)ccc1Cl ZINC000061638676 521547128 /nfs/dbraw/zinc/54/71/28/521547128.db2.gz LIWPVLUXPUNJQP-UHFFFAOYSA-N 1 2 298.818 2.125 10 0 CEAELO CCC(CC)[N@H+](CCOC)Cc1nnsc1NC ZINC000050817554 521561338 /nfs/dbraw/zinc/56/13/38/521561338.db2.gz GNTCSWHNGOIDFU-UHFFFAOYSA-N 1 2 272.418 2.217 10 0 CEAELO CCC[NH+](CCC)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069095556 521648122 /nfs/dbraw/zinc/64/81/22/521648122.db2.gz LVWFIMQZNUEYRB-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[N@@H+](Cc1ccccc1N)Cc1ncccn1 ZINC000054460447 521686862 /nfs/dbraw/zinc/68/68/62/521686862.db2.gz FCVXYSULOYGNFE-UHFFFAOYSA-N 1 2 256.353 2.471 10 0 CEAELO CCC[N@H+](Cc1ccccc1N)Cc1ncccn1 ZINC000054460447 521686865 /nfs/dbraw/zinc/68/68/65/521686865.db2.gz FCVXYSULOYGNFE-UHFFFAOYSA-N 1 2 256.353 2.471 10 0 CEAELO CCNC(=O)c1ccc(C)c(NCc2[nH]c[nH+]c2C)c1 ZINC000054795984 521747425 /nfs/dbraw/zinc/74/74/25/521747425.db2.gz FGTXIOUYJRCGDT-UHFFFAOYSA-N 1 2 272.352 2.388 10 0 CEAELO CCc1ccccc1OCC[C@H]([NH2+]C1CC1)C(=O)OC ZINC000062594588 521922637 /nfs/dbraw/zinc/92/26/37/521922637.db2.gz WFZAJBGBRQXLND-AWEZNQCLSA-N 1 2 277.364 2.312 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)n1cnc2ccccc21)C(=O)OC ZINC000068648915 522419529 /nfs/dbraw/zinc/41/95/29/522419529.db2.gz DDXKMOUMSFWTNF-ABAIWWIYSA-N 1 2 275.352 2.139 10 0 CEAELO C[NH2+][C@@](CSCc1ccccc1)(C(=O)OC)C1CC1 ZINC000069185872 522432652 /nfs/dbraw/zinc/43/26/52/522432652.db2.gz RNTKHKIUTOWDAI-OAHLLOKOSA-N 1 2 279.405 2.461 10 0 CEAELO CNc1ccc(C)cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000053005082 522604451 /nfs/dbraw/zinc/60/44/51/522604451.db2.gz SJKYAZJSBNYTMP-GFCCVEGCSA-N 1 2 272.352 2.052 10 0 CEAELO CCn1c(C)nnc1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183935271 523145822 /nfs/dbraw/zinc/14/58/22/523145822.db2.gz JWDBUGNLQWQMQP-SNVBAGLBSA-N 1 2 279.413 2.298 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183935271 523145832 /nfs/dbraw/zinc/14/58/32/523145832.db2.gz JWDBUGNLQWQMQP-SNVBAGLBSA-N 1 2 279.413 2.298 10 0 CEAELO COCC[N@H+](C)Cc1nc2sccc2c(Cl)n1 ZINC000050840160 523622974 /nfs/dbraw/zinc/62/29/74/523622974.db2.gz APOBQBMCRKDQRR-UHFFFAOYSA-N 1 2 271.773 2.423 10 0 CEAELO COCC[N@@H+](C)Cc1nc2sccc2c(Cl)n1 ZINC000050840160 523622980 /nfs/dbraw/zinc/62/29/80/523622980.db2.gz APOBQBMCRKDQRR-UHFFFAOYSA-N 1 2 271.773 2.423 10 0 CEAELO C[NH+]1CCN(c2nc(C(C)(C)C)c(C=O)s2)CC1 ZINC000054967139 523927518 /nfs/dbraw/zinc/92/75/18/523927518.db2.gz VCJZTHUHLZSZLF-UHFFFAOYSA-N 1 2 267.398 2.005 10 0 CEAELO CCc1ccc([N@H+](C)CC2(CO)CCOCC2)cc1 ZINC000052199695 523958140 /nfs/dbraw/zinc/95/81/40/523958140.db2.gz QYSCKIHMVNEGSW-UHFFFAOYSA-N 1 2 263.381 2.474 10 0 CEAELO CCc1ccc([N@@H+](C)CC2(CO)CCOCC2)cc1 ZINC000052199695 523958144 /nfs/dbraw/zinc/95/81/44/523958144.db2.gz QYSCKIHMVNEGSW-UHFFFAOYSA-N 1 2 263.381 2.474 10 0 CEAELO C[C@@H]1CSCC[N@@H+]1CC(=O)Cc1ccc(F)cc1 ZINC000070220510 525172931 /nfs/dbraw/zinc/17/29/31/525172931.db2.gz VKHVDAZMTRNSLU-LLVKDONJSA-N 1 2 267.369 2.375 10 0 CEAELO C[C@@H]1CSCC[N@H+]1CC(=O)Cc1ccc(F)cc1 ZINC000070220510 525172940 /nfs/dbraw/zinc/17/29/40/525172940.db2.gz VKHVDAZMTRNSLU-LLVKDONJSA-N 1 2 267.369 2.375 10 0 CEAELO Cc1cnc(CN[C@H](c2cccs2)c2[nH+]ccn2C)cn1 ZINC000061320533 526048623 /nfs/dbraw/zinc/04/86/23/526048623.db2.gz KVHGRCWNBOESED-CQSZACIVSA-N 1 2 299.403 2.459 10 0 CEAELO C[C@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCC(O)CC1 ZINC000049537524 526191528 /nfs/dbraw/zinc/19/15/28/526191528.db2.gz YHSBNUDSAMTYBE-SNVBAGLBSA-N 1 2 267.756 2.368 10 0 CEAELO Cc1ccc2c(c1)[C@H](NC(=O)NCCn1cc[nH+]c1)[C@H](C)C2 ZINC000182413301 526203699 /nfs/dbraw/zinc/20/36/99/526203699.db2.gz XLFXQTIFKMOGPV-CZUORRHYSA-N 1 2 298.390 2.424 10 0 CEAELO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)c1 ZINC000184383099 526214597 /nfs/dbraw/zinc/21/45/97/526214597.db2.gz KYJWXLPMUCZNAX-DGCLKSJQSA-N 1 2 257.341 2.167 10 0 CEAELO Cc1nc(-c2cccc(NCc3[nH]c[nH+]c3C)c2)n[nH]1 ZINC000054796760 526593121 /nfs/dbraw/zinc/59/31/21/526593121.db2.gz OTOANYURWIOVAZ-UHFFFAOYSA-N 1 2 268.324 2.424 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1cc(C(N)=O)ccc1Cl ZINC000054794851 527214295 /nfs/dbraw/zinc/21/42/95/527214295.db2.gz LFBCOHVGCJJOGG-UHFFFAOYSA-N 1 2 264.716 2.083 10 0 CEAELO Nc1ccc(NC(=O)COc2cccc(Cl)c2)c[nH+]1 ZINC000061680234 527492440 /nfs/dbraw/zinc/49/24/40/527492440.db2.gz VZCGFPYQETYFAZ-UHFFFAOYSA-N 1 2 277.711 2.335 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)c1cc(Cl)ccc1O ZINC000062725881 527537095 /nfs/dbraw/zinc/53/70/95/527537095.db2.gz JSQRLDNVRVMHQI-UHFFFAOYSA-N 1 2 263.684 2.275 10 0 CEAELO Nc1nc(N2CCOCC2)[nH+]cc1-c1ccccc1Cl ZINC000061675454 527557046 /nfs/dbraw/zinc/55/70/46/527557046.db2.gz ICZASJVYGOGZTH-UHFFFAOYSA-N 1 2 290.754 2.216 10 0 CEAELO Nc1nc(SCCn2cc[nH+]c2)nc2sccc21 ZINC000054710928 527557787 /nfs/dbraw/zinc/55/77/87/527557787.db2.gz ZDMKNMFNPMQRHZ-UHFFFAOYSA-N 1 2 277.378 2.262 10 0 CEAELO CCCCCCNC(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051994960 624726586 /nfs/dbraw/zinc/72/65/86/624726586.db2.gz XCWZRXOXSXKJNB-LSDHHAIUSA-N 1 2 282.428 2.326 10 0 CEAELO CCCCCCNC(=O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051994960 624726592 /nfs/dbraw/zinc/72/65/92/624726592.db2.gz XCWZRXOXSXKJNB-LSDHHAIUSA-N 1 2 282.428 2.326 10 0 CEAELO CCc1nnc(N2CC[NH+](C/C=C\c3ccccc3)CC2)o1 ZINC000229992643 639727272 /nfs/dbraw/zinc/72/72/72/639727272.db2.gz MCDBIMVNOLSMQO-TWGQIWQCSA-N 1 2 298.390 2.467 10 0 CEAELO Cn1nccc1C1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000152204559 640182419 /nfs/dbraw/zinc/18/24/19/640182419.db2.gz JDBVKLUVUIVGHA-UHFFFAOYSA-N 1 2 279.775 2.107 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC000120910120 647611999 /nfs/dbraw/zinc/61/19/99/647611999.db2.gz FACMQVYJULVJRR-RULNRJAQSA-N 1 2 271.307 2.107 10 0 CEAELO CCCNc1cc(N[C@H](C)[C@@H]2CCCO2)nc[nH+]1 ZINC000129374806 651934548 /nfs/dbraw/zinc/93/45/48/651934548.db2.gz HOSFSADHRQDICN-MNOVXSKESA-N 1 2 250.346 2.278 10 0 CEAELO CCCNc1cc(N[C@H](C)[C@@H]2CCCO2)[nH+]cn1 ZINC000129374806 651934550 /nfs/dbraw/zinc/93/45/50/651934550.db2.gz HOSFSADHRQDICN-MNOVXSKESA-N 1 2 250.346 2.278 10 0 CEAELO Cc1cc2c(nc(CC(F)(F)F)[nH+]c2NN)s1 ZINC000082485780 178055218 /nfs/dbraw/zinc/05/52/18/178055218.db2.gz FWNQUYQAJSGGKT-UHFFFAOYSA-N 1 2 262.260 2.390 10 0 CEAELO COCCC1(CC[NH2+]CC(=O)OC)CCCCC1 ZINC000725267311 539214103 /nfs/dbraw/zinc/21/41/03/539214103.db2.gz YMHSHLDWEPXJQR-UHFFFAOYSA-N 1 2 257.374 2.126 10 0 CEAELO COc1cc(C[NH2+][C@H](C)c2ncc(C)o2)sn1 ZINC000399153820 539263628 /nfs/dbraw/zinc/26/36/28/539263628.db2.gz GXWIJLCPEUFWKK-MRVPVSSYSA-N 1 2 253.327 2.299 10 0 CEAELO Cc1cncc(-c2nnc([C@H]([NH3+])c3ccccc3)o2)c1 ZINC000083483984 178512699 /nfs/dbraw/zinc/51/26/99/178512699.db2.gz UKEYHMIATXPWFG-CYBMUJFWSA-N 1 2 266.304 2.488 10 0 CEAELO Cc1nc([C@H]([NH3+])c2cc(Br)ccc2F)no1 ZINC000036762252 343424602 /nfs/dbraw/zinc/42/46/02/343424602.db2.gz JCSUCGGJJVTBLT-SECBINFHSA-N 1 2 286.104 2.328 10 0 CEAELO CCn1cc[nH+]c1CNc1ccccc1C(=O)OC ZINC000051921424 362449038 /nfs/dbraw/zinc/44/90/38/362449038.db2.gz AKZNRRQFBKFYNJ-UHFFFAOYSA-N 1 2 259.309 2.302 10 0 CEAELO Cc1nnc([C@@H]2C[N@H+](C/C=C\c3ccccc3)CCO2)[nH]1 ZINC000255765476 344646581 /nfs/dbraw/zinc/64/65/81/344646581.db2.gz BHXPOQGYOMBGPB-KKTNHOPESA-N 1 2 284.363 2.200 10 0 CEAELO Cc1nnc([C@@H]2C[N@@H+](C/C=C\c3ccccc3)CCO2)[nH]1 ZINC000255765476 344646582 /nfs/dbraw/zinc/64/65/82/344646582.db2.gz BHXPOQGYOMBGPB-KKTNHOPESA-N 1 2 284.363 2.200 10 0 CEAELO O=C(Cc1cccc2[nH+]ccn21)Nc1ccc2c(c1)CCO2 ZINC000584605604 344964200 /nfs/dbraw/zinc/96/42/00/344964200.db2.gz YDAJYZHGEGUPPH-UHFFFAOYSA-N 1 2 293.326 2.450 10 0 CEAELO O=C(N[n+]1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000584651358 344973426 /nfs/dbraw/zinc/97/34/26/344973426.db2.gz FUFMDUCVBSCAOM-UHFFFAOYSA-O 1 2 257.357 2.261 10 0 CEAELO CCOc1cc2[nH+]ccc(OCCO)c2cc1OCC ZINC000053994789 362503920 /nfs/dbraw/zinc/50/39/20/362503920.db2.gz HBHHYYIRXBRXLG-UHFFFAOYSA-N 1 2 277.320 2.403 10 0 CEAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cncc(Br)c1 ZINC000295139507 199366631 /nfs/dbraw/zinc/36/66/31/199366631.db2.gz ZOEJFJZHPWULTI-SKDRFNHKSA-N 1 2 285.185 2.189 10 0 CEAELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cncc(Br)c1 ZINC000295139507 199366633 /nfs/dbraw/zinc/36/66/33/199366633.db2.gz ZOEJFJZHPWULTI-SKDRFNHKSA-N 1 2 285.185 2.189 10 0 CEAELO CC(=O)c1c(F)cccc1N1CCn2cc[nH+]c2C1 ZINC000062252845 362716821 /nfs/dbraw/zinc/71/68/21/362716821.db2.gz OSJPSAZHDKMKBW-UHFFFAOYSA-N 1 2 259.284 2.245 10 0 CEAELO Cc1[nH+]c(C2CCOCC2)nc(N)c1Br ZINC000085459157 179068998 /nfs/dbraw/zinc/06/89/98/179068998.db2.gz RQWNSAOVRBCINU-UHFFFAOYSA-N 1 2 272.146 2.024 10 0 CEAELO C[NH2+][C@@](C)(CCSc1nc(C)c(C)c(C)n1)C(=O)OC ZINC000086645031 179316752 /nfs/dbraw/zinc/31/67/52/179316752.db2.gz LVCFWNZRFNOKHI-AWEZNQCLSA-N 1 2 297.424 2.035 10 0 CEAELO c1ncn(-c2ccc([NH2+][C@H]3CCCOCC3)cc2)n1 ZINC000086873454 179364886 /nfs/dbraw/zinc/36/48/86/179364886.db2.gz GFJLWKZMPFVQSE-LBPRGKRZSA-N 1 2 258.325 2.248 10 0 CEAELO CC[NH2+][C@@H](c1nccn1C)c1snnc1C(C)C ZINC000087443357 179427366 /nfs/dbraw/zinc/42/73/66/179427366.db2.gz YQORJOGDGMHAPU-SNVBAGLBSA-N 1 2 265.386 2.094 10 0 CEAELO CC(C)(C)OC(=O)N1CCCOC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616646400 348546213 /nfs/dbraw/zinc/54/62/13/348546213.db2.gz RZWBXFWXRGPLNS-GFCCVEGCSA-N 1 2 293.367 2.193 10 0 CEAELO CC(C)(C)OC(=O)N1CCCO[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616651388 348548621 /nfs/dbraw/zinc/54/86/21/348548621.db2.gz NBTQGOQCVVOTFE-SNVBAGLBSA-N 1 2 267.329 2.108 10 0 CEAELO CCOC(=O)[C@@H]([NH3+])c1cc(Br)cc(OC)c1 ZINC000616578493 348525447 /nfs/dbraw/zinc/52/54/47/348525447.db2.gz UPVLSSDDNFXJCK-JTQLQIEISA-N 1 2 288.141 2.021 10 0 CEAELO NC(=O)N1CC[C@H](c2cccc(N)[nH+]2)c2ccccc21 ZINC000616589155 348527074 /nfs/dbraw/zinc/52/70/74/348527074.db2.gz QLQGZYWXPSTEJU-JTQLQIEISA-N 1 2 268.320 2.085 10 0 CEAELO COC(=O)N1c2ccccc2NC[C@H]1c1[nH]cc[nH+]1 ZINC000616685415 348560117 /nfs/dbraw/zinc/56/01/17/348560117.db2.gz FFHQHKRAMVWAOW-NSHDSACASA-N 1 2 258.281 2.149 10 0 CEAELO CC[NH2+][C@H](CCOCCC(C)(C)C)C(=O)OCC ZINC000090350163 179971899 /nfs/dbraw/zinc/97/18/99/179971899.db2.gz IZYUUDGDDALORA-GFCCVEGCSA-N 1 2 259.390 2.371 10 0 CEAELO C[C@H](O)c1[nH+]c2cc(N)ccc2n1Cc1cscn1 ZINC000104443768 186004105 /nfs/dbraw/zinc/00/41/05/186004105.db2.gz LNSQDAKMMKMHQO-QMMMGPOBSA-N 1 2 274.349 2.177 10 0 CEAELO N[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2ccccc2o1 ZINC000090906002 180061386 /nfs/dbraw/zinc/06/13/86/180061386.db2.gz UZKYXMMXYAWDNU-HZSPNIEDSA-N 1 2 272.348 2.296 10 0 CEAELO N[C@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2ccccc2o1 ZINC000090906002 180061387 /nfs/dbraw/zinc/06/13/87/180061387.db2.gz UZKYXMMXYAWDNU-HZSPNIEDSA-N 1 2 272.348 2.296 10 0 CEAELO [NH3+][C@H](c1cncn1C1CC1)c1nc2c(s1)CCC2 ZINC000091277124 180119944 /nfs/dbraw/zinc/11/99/44/180119944.db2.gz KNNHYOGVWJJMDL-GFCCVEGCSA-N 1 2 260.366 2.211 10 0 CEAELO CC(C)([C@H](O)c1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC000091566024 180193966 /nfs/dbraw/zinc/19/39/66/180193966.db2.gz MXAQHKHATXNCKT-CYBMUJFWSA-N 1 2 271.307 2.109 10 0 CEAELO C[NH+](C)Cc1noc(-c2cc(N)cc(C(F)(F)F)c2)n1 ZINC000091685413 180226606 /nfs/dbraw/zinc/22/66/06/180226606.db2.gz LTOGSBMFPRJNOR-UHFFFAOYSA-N 1 2 286.257 2.399 10 0 CEAELO CC(C)c1ccc(CC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000091688479 180227058 /nfs/dbraw/zinc/22/70/58/180227058.db2.gz ZQKFTDUHMPKIBF-INIZCTEOSA-N 1 2 261.365 2.252 10 0 CEAELO CC(C)c1ccc(CC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000091688479 180227059 /nfs/dbraw/zinc/22/70/59/180227059.db2.gz ZQKFTDUHMPKIBF-INIZCTEOSA-N 1 2 261.365 2.252 10 0 CEAELO O=C1CCCc2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722396 180239924 /nfs/dbraw/zinc/23/99/24/180239924.db2.gz NMROVYNIEBILTD-SKDRFNHKSA-N 1 2 278.377 2.198 10 0 CEAELO O=C1CCCc2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722396 180239926 /nfs/dbraw/zinc/23/99/26/180239926.db2.gz NMROVYNIEBILTD-SKDRFNHKSA-N 1 2 278.377 2.198 10 0 CEAELO C[N@@H+]1CCO[C@H](CSc2nc3ccc(N)cc3s2)C1 ZINC000092061123 180315009 /nfs/dbraw/zinc/31/50/09/180315009.db2.gz 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/nfs/dbraw/zinc/11/11/24/186111124.db2.gz BHOIDLVYQLCTMP-UHFFFAOYSA-N 1 2 287.411 2.318 10 0 CEAELO CCc1nc2ccccc2n1Cc1cc(NN)cc[nH+]1 ZINC000092425492 180383808 /nfs/dbraw/zinc/38/38/08/180383808.db2.gz DOHXTDJCICYTGB-UHFFFAOYSA-N 1 2 267.336 2.328 10 0 CEAELO COc1cc(-c2nc(N)cc(C3CC3)[nH+]2)ccc1O ZINC000109527419 186260121 /nfs/dbraw/zinc/26/01/21/186260121.db2.gz XWMKGUFNNSUSOS-UHFFFAOYSA-N 1 2 257.293 2.317 10 0 CEAELO O=C([O-])c1cc(NC2CC[NH2+]CC2)c2ccccc2[nH+]1 ZINC000109587954 186264283 /nfs/dbraw/zinc/26/42/83/186264283.db2.gz HEOKVXYBHLGQLT-UHFFFAOYSA-N 1 2 271.320 2.097 10 0 CEAELO C[N@@H+]1CCN(c2nc3c(s2)C(=O)CCC3)CC1(C)C ZINC000110758310 186321397 /nfs/dbraw/zinc/32/13/97/186321397.db2.gz DZQOOZMHTKPTGX-UHFFFAOYSA-N 1 2 279.409 2.193 10 0 CEAELO C[N@H+]1CCN(c2nc3c(s2)C(=O)CCC3)CC1(C)C ZINC000110758310 186321398 /nfs/dbraw/zinc/32/13/98/186321398.db2.gz DZQOOZMHTKPTGX-UHFFFAOYSA-N 1 2 279.409 2.193 10 0 CEAELO CCCNc1ccc(CSCCS(C)(=O)=O)c[nH+]1 ZINC000111007261 186341947 /nfs/dbraw/zinc/34/19/47/186341947.db2.gz TURWMFPUDXBGCC-UHFFFAOYSA-N 1 2 288.438 2.181 10 0 CEAELO O=C(N[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263299888 295816505 /nfs/dbraw/zinc/81/65/05/295816505.db2.gz WXPALBZXEVFGBG-TUAOUCFPSA-N 1 2 272.339 2.069 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ncc[nH]1 ZINC000111229420 186371335 /nfs/dbraw/zinc/37/13/35/186371335.db2.gz YUMXWGWBDGGKFA-LBPRGKRZSA-N 1 2 259.357 2.097 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ncc[nH]1 ZINC000111229420 186371337 /nfs/dbraw/zinc/37/13/37/186371337.db2.gz YUMXWGWBDGGKFA-LBPRGKRZSA-N 1 2 259.357 2.097 10 0 CEAELO Cc1nc(Cl)c(C)c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000111297638 186393013 /nfs/dbraw/zinc/39/30/13/186393013.db2.gz OHVZOHLMBBFCKU-QMMMGPOBSA-N 1 2 265.748 2.444 10 0 CEAELO CCCc1[nH]n(Cc2ccc(C)cc2)c(=O)c1CC[NH3+] ZINC000111998751 186466611 /nfs/dbraw/zinc/46/66/11/186466611.db2.gz LEJIBEONPCIPMW-CQSZACIVSA-N 1 2 273.380 2.458 10 0 CEAELO Cc1cccc(N[C@@H]2CCN(CC(F)(F)F)C2)[nH+]1 ZINC000131214849 366033171 /nfs/dbraw/zinc/03/31/71/366033171.db2.gz CQWDLCLRCPAWRZ-SNVBAGLBSA-N 1 2 259.275 2.439 10 0 CEAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC000122804571 187052457 /nfs/dbraw/zinc/05/24/57/187052457.db2.gz XHZJPEZBKDFORN-GFCCVEGCSA-N 1 2 277.397 2.226 10 0 CEAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1csnn1 ZINC000122804571 187052458 /nfs/dbraw/zinc/05/24/58/187052458.db2.gz XHZJPEZBKDFORN-GFCCVEGCSA-N 1 2 277.397 2.226 10 0 CEAELO CCc1nnc(C[NH2+][C@@H](C)c2ccccc2OC)n1C ZINC000271711340 191286645 /nfs/dbraw/zinc/28/66/45/191286645.db2.gz PKXPQWDCTSRCFF-NSHDSACASA-N 1 2 274.368 2.237 10 0 CEAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000167824933 188644998 /nfs/dbraw/zinc/64/49/98/188644998.db2.gz UNQHOVGREALLEQ-AAEUAGOBSA-N 1 2 288.399 2.243 10 0 CEAELO Cc1cc(N2CCCC3(C2)OCCO3)nc(C(C)C)[nH+]1 ZINC000134219739 366299163 /nfs/dbraw/zinc/29/91/63/366299163.db2.gz ZPPKSMUUDNMWKM-UHFFFAOYSA-N 1 2 277.368 2.252 10 0 CEAELO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1nc2cccnc2s1 ZINC000328836350 202076915 /nfs/dbraw/zinc/07/69/15/202076915.db2.gz SPNDUCXNOCLACP-MWLCHTKSSA-N 1 2 288.376 2.242 10 0 CEAELO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1nc2cccnc2s1 ZINC000328836350 202076918 /nfs/dbraw/zinc/07/69/18/202076918.db2.gz SPNDUCXNOCLACP-MWLCHTKSSA-N 1 2 288.376 2.242 10 0 CEAELO Cn1c2ccccc2[nH+]c1N1CCC[C@H](c2nnc[nH]2)C1 ZINC000328913651 202111334 /nfs/dbraw/zinc/11/13/34/202111334.db2.gz PQJCUXMEWOIFPY-NSHDSACASA-N 1 2 282.351 2.075 10 0 CEAELO Cc1csc(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)n1 ZINC000220604447 538815415 /nfs/dbraw/zinc/81/54/15/538815415.db2.gz OWUOEMVONQJFGE-SECBINFHSA-N 1 2 276.365 2.227 10 0 CEAELO Cc1csc(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)n1 ZINC000220604447 538815421 /nfs/dbraw/zinc/81/54/21/538815421.db2.gz OWUOEMVONQJFGE-SECBINFHSA-N 1 2 276.365 2.227 10 0 CEAELO C[C@@H]1CN(Cc2cccc(F)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000177280662 189041215 /nfs/dbraw/zinc/04/12/15/189041215.db2.gz XEXDDEGNVIUIPJ-DOMZBBRYSA-N 1 2 296.361 2.117 10 0 CEAELO O=C(c1cc(F)cc(F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177734412 189065853 /nfs/dbraw/zinc/06/58/53/189065853.db2.gz KJWLSIDSDINOTJ-CQSZACIVSA-N 1 2 291.301 2.466 10 0 CEAELO CCCSCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177742829 189066492 /nfs/dbraw/zinc/06/64/92/189066492.db2.gz WMVULDBKTDPRRW-GFCCVEGCSA-N 1 2 267.398 2.017 10 0 CEAELO Cc1nnc([C@@H]2C[N@H+](CCCSCC(C)C)CCO2)[nH]1 ZINC000154485537 366774607 /nfs/dbraw/zinc/77/46/07/366774607.db2.gz RZSRDXUPOBVMBD-ZDUSSCGKSA-N 1 2 298.456 2.266 10 0 CEAELO Cc1nnc([C@@H]2C[N@@H+](CCCSCC(C)C)CCO2)[nH]1 ZINC000154485537 366774614 /nfs/dbraw/zinc/77/46/14/366774614.db2.gz RZSRDXUPOBVMBD-ZDUSSCGKSA-N 1 2 298.456 2.266 10 0 CEAELO Cc1nc([C@@H]2C[N@H+](CCCSCC(C)C)CCO2)n[nH]1 ZINC000154485537 366774620 /nfs/dbraw/zinc/77/46/20/366774620.db2.gz RZSRDXUPOBVMBD-ZDUSSCGKSA-N 1 2 298.456 2.266 10 0 CEAELO Cc1nc([C@@H]2C[N@@H+](CCCSCC(C)C)CCO2)n[nH]1 ZINC000154485537 366774627 /nfs/dbraw/zinc/77/46/27/366774627.db2.gz RZSRDXUPOBVMBD-ZDUSSCGKSA-N 1 2 298.456 2.266 10 0 CEAELO NC(=O)c1csc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438446 364181466 /nfs/dbraw/zinc/18/14/66/364181466.db2.gz JPPMMFXYNQDBMJ-CYBMUJFWSA-N 1 2 290.392 2.297 10 0 CEAELO NC(=O)c1csc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438446 364181469 /nfs/dbraw/zinc/18/14/69/364181469.db2.gz JPPMMFXYNQDBMJ-CYBMUJFWSA-N 1 2 290.392 2.297 10 0 CEAELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)NCc1ccccc1 ZINC000114202280 364930253 /nfs/dbraw/zinc/93/02/53/364930253.db2.gz BYZVZRDSNYEXPA-INIZCTEOSA-N 1 2 298.390 2.253 10 0 CEAELO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)NCc1ccccc1 ZINC000114202280 364930259 /nfs/dbraw/zinc/93/02/59/364930259.db2.gz BYZVZRDSNYEXPA-INIZCTEOSA-N 1 2 298.390 2.253 10 0 CEAELO Cc1n[nH]cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245710208 370861385 /nfs/dbraw/zinc/86/13/85/370861385.db2.gz CHOIAHZXSDALII-WFASDCNBSA-N 1 2 293.317 2.304 10 0 CEAELO Cc1n[nH]cc1C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245710208 370861387 /nfs/dbraw/zinc/86/13/87/370861387.db2.gz CHOIAHZXSDALII-WFASDCNBSA-N 1 2 293.317 2.304 10 0 CEAELO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)cn1 ZINC000164789277 367296153 /nfs/dbraw/zinc/29/61/53/367296153.db2.gz VSYMINKSBLUEIP-YPMHNXCESA-N 1 2 274.372 2.241 10 0 CEAELO C[C@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)CCS1 ZINC000171701881 367599889 /nfs/dbraw/zinc/59/98/89/367599889.db2.gz UYSPEEKIDYMQAP-JTQLQIEISA-N 1 2 268.357 2.202 10 0 CEAELO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(F)c2)CCS1 ZINC000171701881 367599895 /nfs/dbraw/zinc/59/98/95/367599895.db2.gz UYSPEEKIDYMQAP-JTQLQIEISA-N 1 2 268.357 2.202 10 0 CEAELO CCC(CC)[C@@H](C(=O)N[C@H](C)C(C)C)[NH+]1CCOCC1 ZINC000173017470 367859674 /nfs/dbraw/zinc/85/96/74/367859674.db2.gz AVNVNYDLEHQXDS-HIFRSBDPSA-N 1 2 284.444 2.284 10 0 CEAELO Cc1csc([C@H]2C[N@H+](CCC(=O)OC(C)C)CCO2)n1 ZINC000173600171 367926678 /nfs/dbraw/zinc/92/66/78/367926678.db2.gz ANFBZFNTOSXOOS-GFCCVEGCSA-N 1 2 298.408 2.167 10 0 CEAELO Cc1csc([C@H]2C[N@@H+](CCC(=O)OC(C)C)CCO2)n1 ZINC000173600171 367926680 /nfs/dbraw/zinc/92/66/80/367926680.db2.gz ANFBZFNTOSXOOS-GFCCVEGCSA-N 1 2 298.408 2.167 10 0 CEAELO CCOC(=O)CN[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180677297 368392592 /nfs/dbraw/zinc/39/25/92/368392592.db2.gz OVWGAKJLFMJUJB-LBPRGKRZSA-N 1 2 273.336 2.086 10 0 CEAELO CCC1(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CCCCC1 ZINC000184004275 368663709 /nfs/dbraw/zinc/66/37/09/368663709.db2.gz UMBZQLRABWJRRB-CQSZACIVSA-N 1 2 282.428 2.184 10 0 CEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)c3ccccn3)CCO2)c1 ZINC000246447535 370962737 /nfs/dbraw/zinc/96/27/37/370962737.db2.gz UWETYQJSFGWENZ-CABCVRRESA-N 1 2 286.379 2.049 10 0 CEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)c3ccccn3)CCO2)c1 ZINC000246447535 370962742 /nfs/dbraw/zinc/96/27/42/370962742.db2.gz UWETYQJSFGWENZ-CABCVRRESA-N 1 2 286.379 2.049 10 0 CEAELO CCn1c(C)nnc1C[N@H+](C)CCOc1ccccc1C ZINC000195039108 370099555 /nfs/dbraw/zinc/09/95/55/370099555.db2.gz HAAWBCRJDMGPED-UHFFFAOYSA-N 1 2 288.395 2.426 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](C)CCOc1ccccc1C ZINC000195039108 370099562 /nfs/dbraw/zinc/09/95/62/370099562.db2.gz HAAWBCRJDMGPED-UHFFFAOYSA-N 1 2 288.395 2.426 10 0 CEAELO Cc1cccc(C(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)c1 ZINC000224348050 370278745 /nfs/dbraw/zinc/27/87/45/370278745.db2.gz VEFNVOATGNLYEQ-UHFFFAOYSA-N 1 2 299.378 2.169 10 0 CEAELO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000253372616 371511792 /nfs/dbraw/zinc/51/17/92/371511792.db2.gz FZNTUSHGGUXLSX-RBSFLKMASA-N 1 2 294.439 2.491 10 0 CEAELO Oc1cccc(CN2CCn3cc[nH+]c3C2)c1Cl ZINC000328235233 376847945 /nfs/dbraw/zinc/84/79/45/376847945.db2.gz PLHYUIWYXRZLNY-UHFFFAOYSA-N 1 2 263.728 2.258 10 0 CEAELO CC[C@]1(C)CSC(N[C@H](C(=O)OC)C(C)C)=[NH+]1 ZINC000080884077 177722011 /nfs/dbraw/zinc/72/20/11/177722011.db2.gz MLZVEFOXWULFLI-JOYOIKCWSA-N 1 2 258.387 2.045 10 0 CEAELO C[C@@H]1[NH2+]Cc2ccccc2N(Cc2nccs2)C1=O ZINC000094976080 184909096 /nfs/dbraw/zinc/90/90/96/184909096.db2.gz UHLBFUOXHPCEQL-JTQLQIEISA-N 1 2 273.361 2.168 10 0 CEAELO COc1cccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000171702875 533600817 /nfs/dbraw/zinc/60/08/17/533600817.db2.gz XGPNOWAHQXWHOG-NSHDSACASA-N 1 2 280.393 2.071 10 0 CEAELO COc1cccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)c1 ZINC000171702875 533600826 /nfs/dbraw/zinc/60/08/26/533600826.db2.gz XGPNOWAHQXWHOG-NSHDSACASA-N 1 2 280.393 2.071 10 0 CEAELO CCc1[nH+]c(C)ccc1OCc1nnc(C)n1CC ZINC000190774014 130145898 /nfs/dbraw/zinc/14/58/98/130145898.db2.gz BMIIIEXJQHVGFM-UHFFFAOYSA-N 1 2 260.341 2.451 10 0 CEAELO CC(C)(C)n1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)nn1 ZINC000191367709 130227767 /nfs/dbraw/zinc/22/77/67/130227767.db2.gz FWZMFVKNNVRMNW-CQSZACIVSA-N 1 2 288.399 2.483 10 0 CEAELO CC(C)(C)n1cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)nn1 ZINC000191367709 130227768 /nfs/dbraw/zinc/22/77/68/130227768.db2.gz FWZMFVKNNVRMNW-CQSZACIVSA-N 1 2 288.399 2.483 10 0 CEAELO C[C@H]1CN(c2nc(N)[nH+]cc2Cl)C[C@H](C)S1 ZINC000087830993 135052191 /nfs/dbraw/zinc/05/21/91/135052191.db2.gz XPMHWTCOUOHULN-BQBZGAKWSA-N 1 2 258.778 2.042 10 0 CEAELO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([NH3+])cc1C(=O)[O-] ZINC000094443759 135089057 /nfs/dbraw/zinc/08/90/57/135089057.db2.gz DUPFZZFNXJFLKO-DGCLKSJQSA-N 1 2 289.379 2.030 10 0 CEAELO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([NH3+])cc1C(=O)[O-] ZINC000094443759 135089058 /nfs/dbraw/zinc/08/90/58/135089058.db2.gz DUPFZZFNXJFLKO-DGCLKSJQSA-N 1 2 289.379 2.030 10 0 CEAELO CCc1nnc(C[NH+]2CCC(OCC(C)C)CC2)n1C ZINC000195097916 395459126 /nfs/dbraw/zinc/45/91/26/395459126.db2.gz VRXZNOZTJOBJLG-UHFFFAOYSA-N 1 2 280.416 2.015 10 0 CEAELO CCc1nnc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)n1C ZINC000195019446 153271807 /nfs/dbraw/zinc/27/18/07/153271807.db2.gz HAYJVPFNKIYRRV-VIFPVBQESA-N 1 2 276.306 2.152 10 0 CEAELO CCc1nnc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)n1C ZINC000195019446 153271810 /nfs/dbraw/zinc/27/18/10/153271810.db2.gz HAYJVPFNKIYRRV-VIFPVBQESA-N 1 2 276.306 2.152 10 0 CEAELO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507998 153291872 /nfs/dbraw/zinc/29/18/72/153291872.db2.gz BVUVBZXMVKEDFD-QWHCGFSZSA-N 1 2 292.427 2.282 10 0 CEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H](Cc2ccccc2)C1 ZINC000263275169 154047302 /nfs/dbraw/zinc/04/73/02/154047302.db2.gz STAFYIYFBPPHBY-KGLIPLIRSA-N 1 2 294.345 2.075 10 0 CEAELO Cc1cn2c([nH+]1)[C@H](CNc1cccc(C(=O)[O-])[nH+]1)CCC2 ZINC000263437684 154087579 /nfs/dbraw/zinc/08/75/79/154087579.db2.gz VWJUBBITXQFOGP-NSHDSACASA-N 1 2 286.335 2.274 10 0 CEAELO Cc1ccc2[nH+]c(CN3C[C@@H](C)O[C@H](C)C3)cn2c1 ZINC000078485980 292390376 /nfs/dbraw/zinc/39/03/76/292390376.db2.gz DNVXYSCALNTYMJ-CHWSQXEVSA-N 1 2 259.353 2.252 10 0 CEAELO CCSCC[C@H](C)[N@H+](C)Cc1nnnn1C(C)C ZINC000174032871 165094475 /nfs/dbraw/zinc/09/44/75/165094475.db2.gz DURHDUIDFOTJPC-NSHDSACASA-N 1 2 271.434 2.218 10 0 CEAELO CCSCC[C@H](C)[N@@H+](C)Cc1nnnn1C(C)C ZINC000174032871 165094479 /nfs/dbraw/zinc/09/44/79/165094479.db2.gz DURHDUIDFOTJPC-NSHDSACASA-N 1 2 271.434 2.218 10 0 CEAELO Cc1nnc([C@H]2C[N@H+](Cc3cc(C)cc(C)c3)CCO2)[nH]1 ZINC000173677690 165077176 /nfs/dbraw/zinc/07/71/76/165077176.db2.gz WILXQTKULXFXME-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nnc([C@H]2C[N@@H+](Cc3cc(C)cc(C)c3)CCO2)[nH]1 ZINC000173677690 165077179 /nfs/dbraw/zinc/07/71/79/165077179.db2.gz WILXQTKULXFXME-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@H]2C[N@H+](Cc3cc(C)cc(C)c3)CCO2)n[nH]1 ZINC000173677690 165077183 /nfs/dbraw/zinc/07/71/83/165077183.db2.gz WILXQTKULXFXME-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@H]2C[N@@H+](Cc3cc(C)cc(C)c3)CCO2)n[nH]1 ZINC000173677690 165077189 /nfs/dbraw/zinc/07/71/89/165077189.db2.gz WILXQTKULXFXME-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@H]2C[N@H+](CCc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173681274 165079408 /nfs/dbraw/zinc/07/94/08/165079408.db2.gz OJPGAHGHONOKGJ-OAHLLOKOSA-N 1 2 286.379 2.038 10 0 CEAELO Cc1nc([C@H]2C[N@@H+](CCc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173681274 165079411 /nfs/dbraw/zinc/07/94/11/165079411.db2.gz OJPGAHGHONOKGJ-OAHLLOKOSA-N 1 2 286.379 2.038 10 0 CEAELO c1csc([C@H]2CCCCN2CCC[NH+]2CCOCC2)n1 ZINC000173650603 165080555 /nfs/dbraw/zinc/08/05/55/165080555.db2.gz FPTZUWHHLPGJQO-CQSZACIVSA-N 1 2 295.452 2.392 10 0 CEAELO CCOC(=O)[C@@H](CC)SCc1[nH+]ccn1CC ZINC000177369978 165197021 /nfs/dbraw/zinc/19/70/21/165197021.db2.gz YLPQHZOLHFHEFG-SNVBAGLBSA-N 1 2 256.371 2.478 10 0 CEAELO Cc1nc([C@H]2C[N@H+](CC3CCCCCC3)CCO2)n[nH]1 ZINC000180105161 165297385 /nfs/dbraw/zinc/29/73/85/165297385.db2.gz ONCKKNYJGRIMKA-CQSZACIVSA-N 1 2 278.400 2.457 10 0 CEAELO Cc1nc([C@H]2C[N@@H+](CC3CCCCCC3)CCO2)n[nH]1 ZINC000180105161 165297386 /nfs/dbraw/zinc/29/73/86/165297386.db2.gz ONCKKNYJGRIMKA-CQSZACIVSA-N 1 2 278.400 2.457 10 0 CEAELO CC(C)c1nnc(C[NH2+][C@@H](C)c2cccnc2)n1C ZINC000181640033 165353783 /nfs/dbraw/zinc/35/37/83/165353783.db2.gz PVQGUSFKOPBZIS-NSHDSACASA-N 1 2 259.357 2.184 10 0 CEAELO O=[S@@](Cc1[nH+]cc2cnccn21)c1ccccc1 ZINC000005647111 170123786 /nfs/dbraw/zinc/12/37/86/170123786.db2.gz FMJKXKFMRGLFSD-GOSISDBHSA-N 1 2 257.318 2.037 10 0 CEAELO Nc1cc(F)ccc1NC(=O)CCCn1cc[nH+]c1 ZINC000022220378 171377624 /nfs/dbraw/zinc/37/76/24/171377624.db2.gz JPXRJYMVUBGBAE-UHFFFAOYSA-N 1 2 262.288 2.023 10 0 CEAELO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)C(=O)N(C)C ZINC000035138976 172006681 /nfs/dbraw/zinc/00/66/81/172006681.db2.gz RPRWRJDBFQCTCY-CJNGLKHVSA-N 1 2 283.375 2.237 10 0 CEAELO CCC[NH2+][C@@](C)(C(=O)OC)c1ccc(OCC)cc1 ZINC000037459175 173224045 /nfs/dbraw/zinc/22/40/45/173224045.db2.gz SKSLRRSBLIVGEK-OAHLLOKOSA-N 1 2 265.353 2.473 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]C(C)C)CCc2ccccc2C1 ZINC000037515811 173247217 /nfs/dbraw/zinc/24/72/17/173247217.db2.gz HOJGFDIECJGWPC-MRXNPFEDSA-N 1 2 261.365 2.475 10 0 CEAELO CCC[C@H](CC(=O)N(CC)CCC(=O)OC)n1cc[nH+]c1 ZINC000038023372 174005275 /nfs/dbraw/zinc/00/52/75/174005275.db2.gz QVMPWOAARQNWBP-CYBMUJFWSA-N 1 2 295.383 2.026 10 0 CEAELO Cc1noc(CN[C@@H](c2cccs2)c2[nH+]ccn2C)n1 ZINC000038034066 174032331 /nfs/dbraw/zinc/03/23/31/174032331.db2.gz CZFDMPUZYLXUEH-LBPRGKRZSA-N 1 2 289.364 2.052 10 0 CEAELO CC[C@@H](C)[NH2+][C@@](C)(C(=O)OC)c1cccc(OC)c1 ZINC000038067042 174078687 /nfs/dbraw/zinc/07/86/87/174078687.db2.gz RAVSIPCZARDVMK-IAQYHMDHSA-N 1 2 265.353 2.472 10 0 CEAELO CC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccc2c(c1)CCO2 ZINC000038067320 174079134 /nfs/dbraw/zinc/07/91/34/174079134.db2.gz DFGBLDMUMMNJOS-YGRLFVJLSA-N 1 2 263.337 2.224 10 0 CEAELO CC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccc2c(c1)CCO2 ZINC000038067321 174079367 /nfs/dbraw/zinc/07/93/67/174079367.db2.gz DFGBLDMUMMNJOS-HZMBPMFUSA-N 1 2 263.337 2.224 10 0 CEAELO Cc1nc(C)c([C@@H](C)[NH2+]Cc2csnn2)s1 ZINC000040518172 174307719 /nfs/dbraw/zinc/30/77/19/174307719.db2.gz FWNSVRCPHUMZIR-ZCFIWIBFSA-N 1 2 254.384 2.462 10 0 CEAELO CNc1[nH+]cnc(Nc2ccc(F)cc2F)c1N ZINC000040707124 174379675 /nfs/dbraw/zinc/37/96/75/174379675.db2.gz KGMVUHFKYMHOPM-UHFFFAOYSA-N 1 2 251.240 2.122 10 0 CEAELO COCCNc1[nH+]cnc(Nc2ccc(F)cc2F)c1N ZINC000040783983 174405184 /nfs/dbraw/zinc/40/51/84/174405184.db2.gz SEFZHCZQABMHIL-UHFFFAOYSA-N 1 2 295.293 2.139 10 0 CEAELO COCc1nc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cs1 ZINC000657522259 414984931 /nfs/dbraw/zinc/98/49/31/414984931.db2.gz AEOMDRJKBAKKMS-LBPRGKRZSA-N 1 2 283.441 2.252 10 0 CEAELO CC(C)CCOCC[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000045106477 175308387 /nfs/dbraw/zinc/30/83/87/175308387.db2.gz XVCISQXMLFFIPM-AWEZNQCLSA-N 1 2 297.420 2.167 10 0 CEAELO COC(=O)[C@@](C)(CCN(C)c1ccccc1)[NH2+]C(C)C ZINC000045227744 175333292 /nfs/dbraw/zinc/33/32/92/175333292.db2.gz IPHYCVSUTSNTMY-MRXNPFEDSA-N 1 2 278.396 2.443 10 0 CEAELO CC[NH2+][C@](C)(CCN(CC)c1ccccc1)C(=O)OC ZINC000045232154 175335559 /nfs/dbraw/zinc/33/55/59/175335559.db2.gz SEIHEFJMYXFUEN-MRXNPFEDSA-N 1 2 278.396 2.444 10 0 CEAELO CC[NH2+][C@@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277339 175347154 /nfs/dbraw/zinc/34/71/54/175347154.db2.gz KYVADACBSXFMBD-HIFRSBDPSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277339 175347155 /nfs/dbraw/zinc/34/71/55/175347155.db2.gz KYVADACBSXFMBD-HIFRSBDPSA-N 1 2 268.401 2.094 10 0 CEAELO CCCCC[N@H+](C[C@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045278540 175348217 /nfs/dbraw/zinc/34/82/17/175348217.db2.gz ADYRRWMLGUADOA-HNNXBMFYSA-N 1 2 270.417 2.482 10 0 CEAELO CCCCC[N@@H+](C[C@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045278540 175348218 /nfs/dbraw/zinc/34/82/18/175348218.db2.gz ADYRRWMLGUADOA-HNNXBMFYSA-N 1 2 270.417 2.482 10 0 CEAELO CC[N@H+](CCC[C@@](C)([NH2+]C)C(=O)[O-])c1ccccc1 ZINC000045379899 175368980 /nfs/dbraw/zinc/36/89/80/175368980.db2.gz DYVRDVOHUDJHMB-OAHLLOKOSA-N 1 2 264.369 2.356 10 0 CEAELO CC[N@@H+](CCC[C@@](C)([NH2+]C)C(=O)[O-])c1ccccc1 ZINC000045379899 175368981 /nfs/dbraw/zinc/36/89/81/175368981.db2.gz DYVRDVOHUDJHMB-OAHLLOKOSA-N 1 2 264.369 2.356 10 0 CEAELO Cn1cc[nH+]c1CNc1c(C(=O)[O-])c[nH+]c2ccccc21 ZINC000071275715 176106777 /nfs/dbraw/zinc/10/67/77/176106777.db2.gz DEZLDXHPGMVITL-UHFFFAOYSA-N 1 2 282.303 2.279 10 0 CEAELO OCc1ccc(OCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000071399234 176152348 /nfs/dbraw/zinc/15/23/48/176152348.db2.gz MVFSTTHYJJVDRB-UHFFFAOYSA-N 1 2 286.253 2.473 10 0 CEAELO CCCOC(=O)c1c(N)cccc1[C@H](C)[NH+]1CCOCC1 ZINC000071414051 176159389 /nfs/dbraw/zinc/15/93/89/176159389.db2.gz MIRPISXKZRFENM-LBPRGKRZSA-N 1 2 292.379 2.229 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1nc(Cl)ccc1Cl ZINC000078723618 177375797 /nfs/dbraw/zinc/37/57/97/177375797.db2.gz BZOQNOAPKJAEBS-UHFFFAOYSA-N 1 2 285.134 2.084 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1nc(Cl)ccc1Cl ZINC000078723618 177375798 /nfs/dbraw/zinc/37/57/98/177375798.db2.gz BZOQNOAPKJAEBS-UHFFFAOYSA-N 1 2 285.134 2.084 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000078723451 177376108 /nfs/dbraw/zinc/37/61/08/177376108.db2.gz NFKUTZNRWOFZGC-UHFFFAOYSA-N 1 2 299.252 2.281 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000078723451 177376110 /nfs/dbraw/zinc/37/61/10/177376110.db2.gz NFKUTZNRWOFZGC-UHFFFAOYSA-N 1 2 299.252 2.281 10 0 CEAELO CNC(=O)c1ccc(-c2[nH+]c3cc(N)ccc3n2C)cc1 ZINC000058819681 277015727 /nfs/dbraw/zinc/01/57/27/277015727.db2.gz NTEQPTBFTDUTHQ-UHFFFAOYSA-N 1 2 280.331 2.182 10 0 CEAELO c1ccc(OCc2n[nH]c(C[NH2+]Cc3ccncc3)n2)cc1 ZINC000185761054 280126314 /nfs/dbraw/zinc/12/63/14/280126314.db2.gz UWOLLLPQOHQRGX-UHFFFAOYSA-N 1 2 295.346 2.069 10 0 CEAELO CC[C@H]1c2cccn2CC[N@H+]1Cc1cccnc1N ZINC000077319700 281277331 /nfs/dbraw/zinc/27/73/31/281277331.db2.gz PJSPGRKSRYZZRR-ZDUSSCGKSA-N 1 2 256.353 2.432 10 0 CEAELO CC[C@H]1c2cccn2CC[N@@H+]1Cc1cccnc1N ZINC000077319700 281277337 /nfs/dbraw/zinc/27/73/37/281277337.db2.gz PJSPGRKSRYZZRR-ZDUSSCGKSA-N 1 2 256.353 2.432 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cccc2c1OCCO2 ZINC000077367791 297149253 /nfs/dbraw/zinc/14/92/53/297149253.db2.gz FQGDAOPNSVSINI-VXGBXAGGSA-N 1 2 263.337 2.067 10 0 CEAELO CCOC(=O)C=C(O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000068813735 520589069 /nfs/dbraw/zinc/58/90/69/520589069.db2.gz BOAUESPRZBLOHD-QWHCGFSZSA-N 1 2 267.369 2.021 10 0 CEAELO CCOC(=O)C=C(O)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000068813735 520589080 /nfs/dbraw/zinc/58/90/80/520589080.db2.gz BOAUESPRZBLOHD-QWHCGFSZSA-N 1 2 267.369 2.021 10 0 CEAELO CCOC(=O)[C@H](CCN(CC)c1ccccc1C)[NH2+]C ZINC000062437958 521241926 /nfs/dbraw/zinc/24/19/26/521241926.db2.gz LTTLLFCTDNWTOV-AWEZNQCLSA-N 1 2 278.396 2.363 10 0 CEAELO CCOC(=O)[C@](COCC(C)C)([NH2+]C(C)C)C1CC1 ZINC000069196318 521341867 /nfs/dbraw/zinc/34/18/67/521341867.db2.gz BUMGMGBIXWAUPC-OAHLLOKOSA-N 1 2 271.401 2.369 10 0 CEAELO CCOc1cccc(OC[C@@](C)([NH2+]C(C)C)C(=O)OC)c1 ZINC000051847442 517737467 /nfs/dbraw/zinc/73/74/67/517737467.db2.gz DENDZPFMNBFSNR-MRXNPFEDSA-N 1 2 295.379 2.394 10 0 CEAELO CC(C)[C@H](C)N(C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061537892 519811875 /nfs/dbraw/zinc/81/18/75/519811875.db2.gz OTEWCVRRPZOQBT-VIFPVBQESA-N 1 2 280.763 2.191 10 0 CEAELO CCC1=NN(c2ccccc2C)C(=O)[C@H]1CCC[NH3+] ZINC000069506834 519849594 /nfs/dbraw/zinc/84/95/94/519849594.db2.gz RVKPOLHRCUHDEY-LBPRGKRZSA-N 1 2 259.353 2.463 10 0 CEAELO CCC1CC[NH+](C[C@@]([NH2+]C(C)C)(C(=O)[O-])C2CC2)CC1 ZINC000069183846 519859130 /nfs/dbraw/zinc/85/91/30/519859130.db2.gz ARVGLLYTLHFFEH-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[NH2+][C@@](CSCCC)(C(=O)OC)C1CC1 ZINC000069185297 520057755 /nfs/dbraw/zinc/05/77/55/520057755.db2.gz BPPIQCSAGKWOCS-CYBMUJFWSA-N 1 2 259.415 2.451 10 0 CEAELO CC[NH2+][C@@H](c1nccn1CC)c1cccnc1OC ZINC000061446665 520115464 /nfs/dbraw/zinc/11/54/64/520115464.db2.gz WKRODHLALBEJNC-GFCCVEGCSA-N 1 2 260.341 2.006 10 0 CEAELO CCC[NH2+][C@](CSCCOC)(C(=O)OCC)C1CC1 ZINC000069184583 520125737 /nfs/dbraw/zinc/12/57/37/520125737.db2.gz LQBCOVSXUOEDGH-AWEZNQCLSA-N 1 2 289.441 2.078 10 0 CEAELO CCCNc1ccc(Cn2c(C)cc(C)nc2=O)c[nH+]1 ZINC000050818320 520166357 /nfs/dbraw/zinc/16/63/57/520166357.db2.gz DGRYZPFKQDWJBD-UHFFFAOYSA-N 1 2 272.352 2.125 10 0 CEAELO CC[NH2+][C@H](CCOc1cccc(OCC)c1)C(=O)OC ZINC000062595869 520193005 /nfs/dbraw/zinc/19/30/05/520193005.db2.gz UUDHDTDDFHDXBX-CQSZACIVSA-N 1 2 281.352 2.005 10 0 CEAELO CCCNc1[nH+]cccc1Cn1c(C)cc(C)nc1=O ZINC000052732071 520195931 /nfs/dbraw/zinc/19/59/31/520195931.db2.gz USZFUTILBNCNNB-UHFFFAOYSA-N 1 2 272.352 2.125 10 0 CEAELO CC[NH2+][C@H](CCn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062807950 520196445 /nfs/dbraw/zinc/19/64/45/520196445.db2.gz RDHKEHAECJDHCV-GFCCVEGCSA-N 1 2 275.352 2.052 10 0 CEAELO CC[NH2+][C@](COC1CCCCC1)(C(=O)OC)C1CC1 ZINC000069196742 520249678 /nfs/dbraw/zinc/24/96/78/520249678.db2.gz CUXVFAKYAHQKPP-HNNXBMFYSA-N 1 2 269.385 2.267 10 0 CEAELO CCCCCOc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061520554 520260226 /nfs/dbraw/zinc/26/02/26/520260226.db2.gz NXXYADMBSRIYSY-UHFFFAOYSA-N 1 2 267.720 2.280 10 0 CEAELO CCCOc1ccccc1OC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045502647 520484235 /nfs/dbraw/zinc/48/42/35/520484235.db2.gz NMCZWUZWAOEDKY-MRXNPFEDSA-N 1 2 295.379 2.395 10 0 CEAELO CCCOc1ccccc1OCC[C@@H]([NH2+]C)C(=O)OCC ZINC000062544611 520484606 /nfs/dbraw/zinc/48/46/06/520484606.db2.gz XNIDAAUSJSTOSZ-CYBMUJFWSA-N 1 2 295.379 2.395 10 0 CEAELO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000174759696 534507509 /nfs/dbraw/zinc/50/75/09/534507509.db2.gz DUILOKAXVJZBSV-WDEREUQCSA-N 1 2 291.301 2.150 10 0 CEAELO CCOC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000049369203 521028453 /nfs/dbraw/zinc/02/84/53/521028453.db2.gz SXVCRMDIDAOAGW-CHWSQXEVSA-N 1 2 287.363 2.475 10 0 CEAELO CCOC(=O)[C@@H](CCSc1ccc(F)cc1)[NH2+]C ZINC000062598907 521062428 /nfs/dbraw/zinc/06/24/28/521062428.db2.gz HDTGNJPVSFOTOB-GFCCVEGCSA-N 1 2 271.357 2.459 10 0 CEAELO CCOC(=O)[C@@H](COc1cccc(COC)c1)[NH2+]C(C)C ZINC000069508645 521066365 /nfs/dbraw/zinc/06/63/65/521066365.db2.gz FMBYTXQVOJKIBS-OAHLLOKOSA-N 1 2 295.379 2.142 10 0 CEAELO CCOC(=O)[C@@](C)(Cn1ncc2ccccc21)[NH2+]C1CC1 ZINC000050528240 521153378 /nfs/dbraw/zinc/15/33/78/521153378.db2.gz ZSPBHXGCQKAFPY-MRXNPFEDSA-N 1 2 287.363 2.110 10 0 CEAELO CCOC(=O)[C@H](CCOCC1CCCCC1)[NH2+]C ZINC000062596022 521246671 /nfs/dbraw/zinc/24/66/71/521246671.db2.gz UYCHYBJITJTBMM-ZDUSSCGKSA-N 1 2 257.374 2.125 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)OC[C@@H]1CCCO1)[NH2+]C1CC1 ZINC000068653452 521321433 /nfs/dbraw/zinc/32/14/33/521321433.db2.gz MVSAITGPWAHIFK-INWMFGNUSA-N 1 2 299.411 2.034 10 0 CEAELO CCOC(=O)[C@](C)(CSc1cc(C)nn1C)[NH2+]C(C)C ZINC000052311858 521321859 /nfs/dbraw/zinc/32/18/59/521321859.db2.gz USINQULGRKPGDS-AWEZNQCLSA-N 1 2 299.440 2.140 10 0 CEAELO CCOC(=O)[C@](C)(CSCC1CCCC1)[NH2+]C ZINC000062837177 521322496 /nfs/dbraw/zinc/32/24/96/521322496.db2.gz WMOLXRCQBAFNGZ-ZDUSSCGKSA-N 1 2 259.415 2.451 10 0 CEAELO CCOC(=O)[C@](COC1CCC1)([NH2+]C(C)C)C1CC1 ZINC000069198351 521339249 /nfs/dbraw/zinc/33/92/49/521339249.db2.gz RPFMZPMVPOAXCC-OAHLLOKOSA-N 1 2 269.385 2.265 10 0 CEAELO CCCc1ccc(OCC[C@H]([NH2+]C)C(=O)OC)cc1 ZINC000062596176 521404618 /nfs/dbraw/zinc/40/46/18/521404618.db2.gz DQGYZHBGVOYFDE-AWEZNQCLSA-N 1 2 265.353 2.169 10 0 CEAELO CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000058552320 521743732 /nfs/dbraw/zinc/74/37/32/521743732.db2.gz ZEUTUSSRLPYQJA-IUODEOHRSA-N 1 2 272.348 2.483 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)OCCOc1ccccc1)C(=O)OC ZINC000068653743 522415752 /nfs/dbraw/zinc/41/57/52/522415752.db2.gz WFPWFOVHLAPNEW-CJNGLKHVSA-N 1 2 295.379 2.012 10 0 CEAELO C[NH2+][C@H](CCOc1c(C)cc(C)cc1C)C(=O)OC ZINC000062541376 522460871 /nfs/dbraw/zinc/46/08/71/522460871.db2.gz JDMGZINUJBTNAP-CYBMUJFWSA-N 1 2 265.353 2.142 10 0 CEAELO CCc1[nH+]c2ccccc2n1Cc1nnsc1N ZINC000062808085 522503780 /nfs/dbraw/zinc/50/37/80/522503780.db2.gz XOYKXUVUWRYLDX-UHFFFAOYSA-N 1 2 259.338 2.081 10 0 CEAELO C[NH2+][C@](CSCc1ccco1)(C(=O)OC)C1CC1 ZINC000069184279 522533127 /nfs/dbraw/zinc/53/31/27/522533127.db2.gz NIRVZYCAVZEXHN-ZDUSSCGKSA-N 1 2 269.366 2.054 10 0 CEAELO CNc1cc(C)[nH+]c(-c2ccc3c(c2)OCCO3)n1 ZINC000050864530 522565417 /nfs/dbraw/zinc/56/54/17/522565417.db2.gz UVSTWRMLWCQXQS-UHFFFAOYSA-N 1 2 257.293 2.265 10 0 CEAELO C[N@H+](CC1CCCCC1)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069183910 522655098 /nfs/dbraw/zinc/65/50/98/522655098.db2.gz PVHFQTGJTLANTM-QGZVFWFLSA-N 1 2 294.439 2.484 10 0 CEAELO C[N@@H+](CC1CCCCC1)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069183910 522655103 /nfs/dbraw/zinc/65/51/03/522655103.db2.gz PVHFQTGJTLANTM-QGZVFWFLSA-N 1 2 294.439 2.484 10 0 CEAELO CNc1nc(-c2ccc3c(c2)OCO3)[nH+]c2c1CCC2 ZINC000050867612 522676302 /nfs/dbraw/zinc/67/63/02/522676302.db2.gz CCGPNHVAALYGON-UHFFFAOYSA-N 1 2 269.304 2.403 10 0 CEAELO CC[C@H]1CCCCN1c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061537035 523032038 /nfs/dbraw/zinc/03/20/38/523032038.db2.gz QVTIPSCSLNDCOV-JTQLQIEISA-N 1 2 292.774 2.480 10 0 CEAELO COCCCSC[C@@]([NH2+]C(C)C)(C(=O)OC)C1CC1 ZINC000069191535 523443731 /nfs/dbraw/zinc/44/37/31/523443731.db2.gz ODQVVLYHKMWTGM-AWEZNQCLSA-N 1 2 289.441 2.076 10 0 CEAELO COC(=O)[C@@H](CCOC1CCCCC1)[NH2+]C(C)C ZINC000062545967 523574759 /nfs/dbraw/zinc/57/47/59/523574759.db2.gz KIQYXIVNCLJKPW-CYBMUJFWSA-N 1 2 257.374 2.265 10 0 CEAELO CN(Cc1[nH+]ccn1C)c1cc(Cl)ccc1C(N)=S ZINC000062788599 523593991 /nfs/dbraw/zinc/59/39/91/523593991.db2.gz XCQIMRFQUGZIMH-UHFFFAOYSA-N 1 2 294.811 2.344 10 0 CEAELO C[C@]([NH3+])(c1nc(C[C@H]2CCCO2)no1)c1ccccc1 ZINC000052879355 525149082 /nfs/dbraw/zinc/14/90/82/525149082.db2.gz WXDCVUIUTHERII-IUODEOHRSA-N 1 2 273.336 2.013 10 0 CEAELO Cc1ccc(NC(=O)c2cccc(NN)[nH+]2)c(C)c1 ZINC000051096268 525243928 /nfs/dbraw/zinc/24/39/28/525243928.db2.gz ZBCORKGOENJXFY-UHFFFAOYSA-N 1 2 256.309 2.236 10 0 CEAELO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000155908410 525711935 /nfs/dbraw/zinc/71/19/35/525711935.db2.gz ZTXKYWYRRDPXNG-VXGBXAGGSA-N 1 2 273.336 2.224 10 0 CEAELO COc1cccc(CNc2cc[nH+]c(C(N)=S)c2)c1 ZINC000061812716 526044836 /nfs/dbraw/zinc/04/48/36/526044836.db2.gz HNZZVEGEZFPMTC-UHFFFAOYSA-N 1 2 273.361 2.337 10 0 CEAELO COc1cccc(Cc2nc(N)c3c([nH+]2)CCC3)c1 ZINC000050844717 526085015 /nfs/dbraw/zinc/08/50/15/526085015.db2.gz DDJBWUWPFCRUBF-UHFFFAOYSA-N 1 2 255.321 2.147 10 0 CEAELO COc1cccc(Nc2cc[nH+]c(C(N)=S)c2)c1 ZINC000061812237 526213050 /nfs/dbraw/zinc/21/30/50/526213050.db2.gz GBLHLEIOQNOTSH-UHFFFAOYSA-N 1 2 259.334 2.468 10 0 CEAELO C[C@H]1CCCC[C@@H]1[N@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069132394 526255542 /nfs/dbraw/zinc/25/55/42/526255542.db2.gz BLOFPKYHZBRXJY-YLQAJVPDSA-N 1 2 294.439 2.482 10 0 CEAELO C[C@H]1CCCC[C@@H]1[N@@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069132394 526255544 /nfs/dbraw/zinc/25/55/44/526255544.db2.gz BLOFPKYHZBRXJY-YLQAJVPDSA-N 1 2 294.439 2.482 10 0 CEAELO c1nc(-c2nnc3n2CC[NH2+][C@@H]3c2ccccc2)cs1 ZINC000062362231 526593856 /nfs/dbraw/zinc/59/38/56/526593856.db2.gz JAIUJSZHYLQEMG-GFCCVEGCSA-N 1 2 283.360 2.094 10 0 CEAELO O=C(C[N@H+]1CCC[C@H]1CCCO)Nc1c(F)cccc1F ZINC000052762922 526758278 /nfs/dbraw/zinc/75/82/78/526758278.db2.gz HSIJPWRIEMZNNM-NSHDSACASA-N 1 2 298.333 2.140 10 0 CEAELO O=C(C[N@@H+]1CCC[C@H]1CCCO)Nc1c(F)cccc1F ZINC000052762922 526758283 /nfs/dbraw/zinc/75/82/83/526758283.db2.gz HSIJPWRIEMZNNM-NSHDSACASA-N 1 2 298.333 2.140 10 0 CEAELO NNc1cccc(C(=O)Nc2cnc3ccccc3c2)[nH+]1 ZINC000055142770 527283605 /nfs/dbraw/zinc/28/36/05/527283605.db2.gz OZIIMCOQPCRZBC-UHFFFAOYSA-N 1 2 279.303 2.168 10 0 CEAELO Nc1ccc([NH2+]C[C@H]2CCOC2)c(Br)c1 ZINC000061146648 527494429 /nfs/dbraw/zinc/49/44/29/527494429.db2.gz KGSOLEQGNCZVCY-MRVPVSSYSA-N 1 2 271.158 2.480 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)Cc1ccccc1Cl ZINC000062725774 527537107 /nfs/dbraw/zinc/53/71/07/527537107.db2.gz PJCCWZIGDFVVBM-UHFFFAOYSA-N 1 2 261.712 2.498 10 0 CEAELO OCCC[C@@H]1CCCN1c1[nH+]c(CO)cc2ccccc21 ZINC000052762516 527544621 /nfs/dbraw/zinc/54/46/21/527544621.db2.gz VGYMHZUMGCDBDT-HNNXBMFYSA-N 1 2 286.375 2.468 10 0 CEAELO OC[C@@H]1CCC[N@@H+]1Cc1nc2sccc2c(Cl)n1 ZINC000050840105 527589831 /nfs/dbraw/zinc/58/98/31/527589831.db2.gz YWZFYJMHBXUTPY-QMMMGPOBSA-N 1 2 283.784 2.301 10 0 CEAELO OC[C@@H]1CCC[N@H+]1Cc1nc2sccc2c(Cl)n1 ZINC000050840105 527589832 /nfs/dbraw/zinc/58/98/32/527589832.db2.gz YWZFYJMHBXUTPY-QMMMGPOBSA-N 1 2 283.784 2.301 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000220600508 538810933 /nfs/dbraw/zinc/81/09/33/538810933.db2.gz SAUFCYDTRIXHNJ-JTQLQIEISA-N 1 2 299.330 2.190 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000220600508 538810942 /nfs/dbraw/zinc/81/09/42/538810942.db2.gz SAUFCYDTRIXHNJ-JTQLQIEISA-N 1 2 299.330 2.190 10 0 CEAELO CC[NH2+]Cc1noc(CCOc2cccc(C)c2)n1 ZINC000051860532 624635833 /nfs/dbraw/zinc/63/58/33/624635833.db2.gz WBAKVOLRBKWOTB-UHFFFAOYSA-N 1 2 261.325 2.109 10 0 CEAELO CCCCC[C@@H](CC)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000179770017 628061336 /nfs/dbraw/zinc/06/13/36/628061336.db2.gz HZFWZWWDFOQXKA-HUUCEWRRSA-N 1 2 284.444 2.430 10 0 CEAELO CO[C@@H](C)CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173925924 639883234 /nfs/dbraw/zinc/88/32/34/639883234.db2.gz ZHRWVTKPMSQZHN-QWHCGFSZSA-N 1 2 287.363 2.475 10 0 CEAELO CO[C@H](C)CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173925934 639883496 /nfs/dbraw/zinc/88/34/96/639883496.db2.gz ZHRWVTKPMSQZHN-CHWSQXEVSA-N 1 2 287.363 2.475 10 0 CEAELO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000171669736 312671334 /nfs/dbraw/zinc/67/13/34/312671334.db2.gz OFXLYSYMIGSCHJ-SNVBAGLBSA-N 1 2 262.344 2.124 10 0 CEAELO COC(=O)[C@H](c1ccc(F)c(Br)c1)[NH+](C)C ZINC000095532649 185004869 /nfs/dbraw/zinc/00/48/69/185004869.db2.gz DTVCRJNSMOAENX-JTQLQIEISA-N 1 2 290.132 2.364 10 0 CEAELO CCc1ccc([C@H]2CCCC[N@@H+]2CCS(C)(=O)=O)o1 ZINC000124849662 365660969 /nfs/dbraw/zinc/66/09/69/365660969.db2.gz PUMPWFFQKPYVFS-CYBMUJFWSA-N 1 2 285.409 2.414 10 0 CEAELO CCc1ccc([C@H]2CCCC[N@H+]2CCS(C)(=O)=O)o1 ZINC000124849662 365660975 /nfs/dbraw/zinc/66/09/75/365660975.db2.gz PUMPWFFQKPYVFS-CYBMUJFWSA-N 1 2 285.409 2.414 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H](C)C1)C2 ZINC000220574748 539258283 /nfs/dbraw/zinc/25/82/83/539258283.db2.gz PHTPVVGCEBQTGU-CMPLNLGQSA-N 1 2 261.369 2.082 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H](C)C1)CC2 ZINC000220574748 539258285 /nfs/dbraw/zinc/25/82/85/539258285.db2.gz PHTPVVGCEBQTGU-CMPLNLGQSA-N 1 2 261.369 2.082 10 0 CEAELO COc1ccccc1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220585926 539258722 /nfs/dbraw/zinc/25/87/22/539258722.db2.gz GSRPIJYHQREMFK-GFCCVEGCSA-N 1 2 299.374 2.148 10 0 CEAELO COc1ccccc1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220585926 539258723 /nfs/dbraw/zinc/25/87/23/539258723.db2.gz GSRPIJYHQREMFK-GFCCVEGCSA-N 1 2 299.374 2.148 10 0 CEAELO Cc1cnc(N2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000097846314 539303724 /nfs/dbraw/zinc/30/37/24/539303724.db2.gz NAUAFDBIAMQGER-UHFFFAOYSA-N 1 2 293.168 2.369 10 0 CEAELO [NH3+][C@@H](c1ncon1)c1ccc(F)c(Br)c1 ZINC000036761988 343424533 /nfs/dbraw/zinc/42/45/33/343424533.db2.gz UQSZAAYUDDQJFT-MRVPVSSYSA-N 1 2 272.077 2.019 10 0 CEAELO Cc1nc([C@H]([NH3+])c2ccc(F)c(Br)c2)no1 ZINC000036762248 343424537 /nfs/dbraw/zinc/42/45/37/343424537.db2.gz XGVLNMILKMBAIV-SECBINFHSA-N 1 2 286.104 2.328 10 0 CEAELO CC(C)(C)CCNC(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000063567915 343679425 /nfs/dbraw/zinc/67/94/25/343679425.db2.gz KSTVAARANUVUFE-ZIAGYGMSSA-N 1 2 282.428 2.182 10 0 CEAELO CC(C)(C)CCNC(=O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000063567915 343679426 /nfs/dbraw/zinc/67/94/26/343679426.db2.gz KSTVAARANUVUFE-ZIAGYGMSSA-N 1 2 282.428 2.182 10 0 CEAELO Nc1[nH+]cnc(NCc2ccccc2)c1Br ZINC000228757334 344563702 /nfs/dbraw/zinc/56/37/02/344563702.db2.gz UUECYZVZHLHSGH-UHFFFAOYSA-N 1 2 279.141 2.433 10 0 CEAELO Nc1nc[nH+]c(NCc2ccccc2)c1Br ZINC000228757334 344563704 /nfs/dbraw/zinc/56/37/04/344563704.db2.gz UUECYZVZHLHSGH-UHFFFAOYSA-N 1 2 279.141 2.433 10 0 CEAELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1ccsc1 ZINC000328620977 344755606 /nfs/dbraw/zinc/75/56/06/344755606.db2.gz HMYZKPNSACQRKB-NSHDSACASA-N 1 2 275.377 2.279 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)Oc1cccc(F)c1)C(=O)OC ZINC000084394233 178881133 /nfs/dbraw/zinc/88/11/33/178881133.db2.gz LAZOBBPEGFTZOJ-QMTHXVAHSA-N 1 2 269.316 2.134 10 0 CEAELO CC(=O)c1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000058826116 362640950 /nfs/dbraw/zinc/64/09/50/362640950.db2.gz VORZJBDVMFXUOY-UHFFFAOYSA-N 1 2 252.745 2.294 10 0 CEAELO CSCCCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177533360 232359097 /nfs/dbraw/zinc/35/90/97/232359097.db2.gz CYLZVQLJHVLGCK-CYBMUJFWSA-N 1 2 296.440 2.200 10 0 CEAELO Cc1ccc(C(=O)CCN2CCn3cc[nH+]c3C2)cc1 ZINC000062321642 362715931 /nfs/dbraw/zinc/71/59/31/362715931.db2.gz FHRGJUZNNUUMIK-UHFFFAOYSA-N 1 2 269.348 2.280 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)Oc1cc(C)ccc1F)C(=O)OC ZINC000085560573 179094770 /nfs/dbraw/zinc/09/47/70/179094770.db2.gz PTBXWDASODCJLM-IAQYHMDHSA-N 1 2 283.343 2.443 10 0 CEAELO C[NH2+][C@](C)(CCOc1cc(C)ccc1F)C(=O)OC ZINC000085561396 179094782 /nfs/dbraw/zinc/09/47/82/179094782.db2.gz OPKOZWXSLGOIQF-CQSZACIVSA-N 1 2 269.316 2.054 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085632099 179108738 /nfs/dbraw/zinc/10/87/38/179108738.db2.gz RHQGTGCYFQWNHA-HONMWMINSA-N 1 2 291.395 2.382 10 0 CEAELO CC(C)(C)OC(=O)NCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000129708725 365887556 /nfs/dbraw/zinc/88/75/56/365887556.db2.gz YGYMGPWBTLZTEZ-UHFFFAOYSA-N 1 2 294.399 2.114 10 0 CEAELO [NH3+][C@H](c1cscc1Br)c1ncccn1 ZINC000086554853 179307060 /nfs/dbraw/zinc/30/70/60/179307060.db2.gz SFMGJZNFNYIMNB-MRVPVSSYSA-N 1 2 270.155 2.349 10 0 CEAELO COc1ccc([C@@H]([NH3+])c2noc(C)n2)cc1Cl ZINC000086596012 179310610 /nfs/dbraw/zinc/31/06/10/179310610.db2.gz TYJWWQJKDPFWLD-SNVBAGLBSA-N 1 2 253.689 2.088 10 0 CEAELO COCC[NH2+][C@]1(C(=O)OC)CCCC(C)(C)CC1 ZINC000086916452 179367820 /nfs/dbraw/zinc/36/78/20/179367820.db2.gz DOAFQQSBMRVKBJ-CQSZACIVSA-N 1 2 257.374 2.125 10 0 CEAELO COCCCC(=O)Cc1[nH+]cc(C)c(OC)c1C ZINC000086963367 179369552 /nfs/dbraw/zinc/36/95/52/179369552.db2.gz RDSFWHZDZNJFQA-UHFFFAOYSA-N 1 2 251.326 2.245 10 0 CEAELO C[C@@H](CNc1cc(Cl)nc(C2CC2)n1)[NH+]1CCOCC1 ZINC000270898687 190859698 /nfs/dbraw/zinc/85/96/98/190859698.db2.gz FFLHXDJZRPSZTI-JTQLQIEISA-N 1 2 296.802 2.140 10 0 CEAELO CCOc1cc(NCC2(O)CCCC2)ccc1[NH3+] ZINC000087011222 179378996 /nfs/dbraw/zinc/37/89/96/179378996.db2.gz VZEMXSHALBWVIW-UHFFFAOYSA-N 1 2 250.342 2.385 10 0 CEAELO Nc1ccc2c(c1)[nH+]cnc2NC[C@H](O)c1ccccc1 ZINC000087820014 179493684 /nfs/dbraw/zinc/49/36/84/179493684.db2.gz HFJHSPDMPYKPCK-HNNXBMFYSA-N 1 2 280.331 2.358 10 0 CEAELO CCN1c2ccccc2NC[C@H]1c1ccc(N)[nH+]c1 ZINC000616584972 348527155 /nfs/dbraw/zinc/52/71/55/348527155.db2.gz OHKZRGSAGUZOIA-AWEZNQCLSA-N 1 2 254.337 2.487 10 0 CEAELO CC(=O)N1CC[C@@H](c2cc[nH+]c(N)c2)c2ccccc21 ZINC000616673638 348556553 /nfs/dbraw/zinc/55/65/53/348556553.db2.gz CNEZBNOTQIVNCQ-ZDUSSCGKSA-N 1 2 267.332 2.383 10 0 CEAELO CCOC(=O)[C@H](CCN1CCCCc2ccccc21)[NH2+]C ZINC000088335025 179579404 /nfs/dbraw/zinc/57/94/04/179579404.db2.gz UJXQYDYAJIHGKQ-HNNXBMFYSA-N 1 2 290.407 2.371 10 0 CEAELO COC(=O)c1cc(NC[C@H]2CCCC[C@@H]2CO)cc[nH+]1 ZINC000090738633 180034971 /nfs/dbraw/zinc/03/49/71/180034971.db2.gz LWQVAYDFUWLXCT-VXGBXAGGSA-N 1 2 278.352 2.079 10 0 CEAELO COC(=O)[C@@H]([NH2+]C[C@H]1Cc2cc(Cl)ccc2O1)C(C)C ZINC000090899703 180058185 /nfs/dbraw/zinc/05/81/85/180058185.db2.gz SSXKAOTTXRIIIC-OCCSQVGLSA-N 1 2 297.782 2.431 10 0 CEAELO CCOC(=O)C[N@H+](C[C@H]1Cc2cc(C)ccc2O1)C1CC1 ZINC000090900820 180059110 /nfs/dbraw/zinc/05/91/10/180059110.db2.gz USZGRYROAMZLFU-OAHLLOKOSA-N 1 2 289.375 2.326 10 0 CEAELO CCOC(=O)C[N@@H+](C[C@H]1Cc2cc(C)ccc2O1)C1CC1 ZINC000090900820 180059111 /nfs/dbraw/zinc/05/91/11/180059111.db2.gz USZGRYROAMZLFU-OAHLLOKOSA-N 1 2 289.375 2.326 10 0 CEAELO NC(=S)c1cc[nH+]c(NC[C@H]2Cc3ccccc32)c1 ZINC000090993507 180082302 /nfs/dbraw/zinc/08/23/02/180082302.db2.gz JSGNIYSDPDWGAH-GFCCVEGCSA-N 1 2 269.373 2.468 10 0 CEAELO CC(C)n1c[nH+]cc1[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000091273714 180118152 /nfs/dbraw/zinc/11/81/52/180118152.db2.gz KECFKVMBCUIZMR-HNNXBMFYSA-N 1 2 274.320 2.317 10 0 CEAELO NC(=O)c1cc(NCc2c[nH+]cn2C2CC2)ccc1F ZINC000091274819 180118852 /nfs/dbraw/zinc/11/88/52/180118852.db2.gz WBZHRFFXQVGBKT-UHFFFAOYSA-N 1 2 274.299 2.068 10 0 CEAELO Cc1c(NCc2c[nH+]cn2C2CC2)cccc1C(N)=O ZINC000091274771 180119266 /nfs/dbraw/zinc/11/92/66/180119266.db2.gz MWCLYYHEBFZFCG-UHFFFAOYSA-N 1 2 270.336 2.237 10 0 CEAELO Cn1c[nH+]cc1COc1cccc(Cl)c1C=O ZINC000091278558 180121341 /nfs/dbraw/zinc/12/13/41/180121341.db2.gz VHBGQXGWGXZOGN-UHFFFAOYSA-N 1 2 250.685 2.465 10 0 CEAELO Cc1oc(-c2cccs2)nc1C[NH+]1CC(CO)C1 ZINC000091487798 180167873 /nfs/dbraw/zinc/16/78/73/180167873.db2.gz NDXBYONIWSFKQE-UHFFFAOYSA-N 1 2 264.350 2.136 10 0 CEAELO Nc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccccc1)C2 ZINC000091500258 180174733 /nfs/dbraw/zinc/17/47/33/180174733.db2.gz RKYHNBWNHXOSPX-UHFFFAOYSA-N 1 2 267.332 2.223 10 0 CEAELO Nc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccccc1)C2 ZINC000091500258 180174734 /nfs/dbraw/zinc/17/47/34/180174734.db2.gz RKYHNBWNHXOSPX-UHFFFAOYSA-N 1 2 267.332 2.223 10 0 CEAELO CC[C@@](C)([C@@H](O)c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000091611047 180205809 /nfs/dbraw/zinc/20/58/09/180205809.db2.gz ODNMDOMIHLYICZ-GJZGRUSLSA-N 1 2 285.334 2.499 10 0 CEAELO CC[N@@H+]1CCC[C@H](n2c(=O)c3sccc3[nH]c2=S)C1 ZINC000105041868 186038667 /nfs/dbraw/zinc/03/86/67/186038667.db2.gz IPFIBAJPCMBXOX-VIFPVBQESA-N 1 2 295.433 2.404 10 0 CEAELO CC[N@H+]1CCC[C@H](n2c(=O)c3sccc3[nH]c2=S)C1 ZINC000105041868 186038669 /nfs/dbraw/zinc/03/86/69/186038669.db2.gz IPFIBAJPCMBXOX-VIFPVBQESA-N 1 2 295.433 2.404 10 0 CEAELO CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCCCCCC1 ZINC000105279251 186048343 /nfs/dbraw/zinc/04/83/43/186048343.db2.gz LJHOSYRQBVTROE-HNNXBMFYSA-N 1 2 297.443 2.071 10 0 CEAELO CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCCCCCC1 ZINC000105279251 186048345 /nfs/dbraw/zinc/04/83/45/186048345.db2.gz LJHOSYRQBVTROE-HNNXBMFYSA-N 1 2 297.443 2.071 10 0 CEAELO CCCc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000105283167 186049530 /nfs/dbraw/zinc/04/95/30/186049530.db2.gz YPCMBAZRASEGHB-HNNXBMFYSA-N 1 2 291.395 2.091 10 0 CEAELO CCCc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000105283167 186049531 /nfs/dbraw/zinc/04/95/31/186049531.db2.gz YPCMBAZRASEGHB-HNNXBMFYSA-N 1 2 291.395 2.091 10 0 CEAELO C[NH+](C)Cc1noc(-c2ccc(Cl)c(N)c2)n1 ZINC000091685250 180226312 /nfs/dbraw/zinc/22/63/12/180226312.db2.gz XEEIDEYRRBXIHF-UHFFFAOYSA-N 1 2 252.705 2.034 10 0 CEAELO CCOC(=O)[C@@H]([NH3+])c1c[nH]c2ccc(Cl)cc21 ZINC000091691749 180227457 /nfs/dbraw/zinc/22/74/57/180227457.db2.gz INORYMOQCOGHGO-NSHDSACASA-N 1 2 252.701 2.384 10 0 CEAELO Cc1nc(C[NH+]2CCC(Nc3cccnn3)CC2)oc1C ZINC000105805884 186072355 /nfs/dbraw/zinc/07/23/55/186072355.db2.gz UGVHFQPIIHIUPI-UHFFFAOYSA-N 1 2 287.367 2.158 10 0 CEAELO COC(=O)[C@@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275143 180356833 /nfs/dbraw/zinc/35/68/33/180356833.db2.gz KCZHGHYXFHOFIE-NXEZZACHSA-N 1 2 251.351 2.027 10 0 CEAELO Cc1cc(N)nc(SC[C@H](O)c2ccccc2)[nH+]1 ZINC000106004047 186096787 /nfs/dbraw/zinc/09/67/87/186096787.db2.gz OEMYFMXDGFJATN-NSHDSACASA-N 1 2 261.350 2.193 10 0 CEAELO 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CCn1c(C)nnc1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000195025775 395457089 /nfs/dbraw/zinc/45/70/89/395457089.db2.gz QKFMQMKEVCSABT-UHFFFAOYSA-N 1 2 299.422 2.237 10 0 CEAELO CC(C)n1nnnc1C[N@H+](C)CCCc1ccccc1 ZINC000195079537 395458328 /nfs/dbraw/zinc/45/83/28/395458328.db2.gz XIIFELWHECVQIT-UHFFFAOYSA-N 1 2 273.384 2.319 10 0 CEAELO CC(C)n1nnnc1C[N@@H+](C)CCCc1ccccc1 ZINC000195079537 395458331 /nfs/dbraw/zinc/45/83/31/395458331.db2.gz XIIFELWHECVQIT-UHFFFAOYSA-N 1 2 273.384 2.319 10 0 CEAELO CC(C)n1nnnc1C[N@H+](C)CCc1ccc(F)cc1 ZINC000195106168 395458937 /nfs/dbraw/zinc/45/89/37/395458937.db2.gz RBQNUFOPEYYJJL-UHFFFAOYSA-N 1 2 277.347 2.068 10 0 CEAELO CC(C)n1nnnc1C[N@@H+](C)CCc1ccc(F)cc1 ZINC000195106168 395458942 /nfs/dbraw/zinc/45/89/42/395458942.db2.gz RBQNUFOPEYYJJL-UHFFFAOYSA-N 1 2 277.347 2.068 10 0 CEAELO CCCCOC[C@H](O)C[N@H+](C)Cc1ncc(CC)s1 ZINC000195180850 395461333 /nfs/dbraw/zinc/46/13/33/395461333.db2.gz ONUGTOAILONLRO-GFCCVEGCSA-N 1 2 286.441 2.315 10 0 CEAELO CCCCOC[C@H](O)C[N@@H+](C)Cc1ncc(CC)s1 ZINC000195180850 395461334 /nfs/dbraw/zinc/46/13/34/395461334.db2.gz ONUGTOAILONLRO-GFCCVEGCSA-N 1 2 286.441 2.315 10 0 CEAELO [NH3+][C@@H](c1ccsn1)c1ncsc1Br ZINC000575454670 395664421 /nfs/dbraw/zinc/66/44/21/395664421.db2.gz XQPYTHLHJNVAMQ-YFKPBYRVSA-N 1 2 276.184 2.410 10 0 CEAELO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195508004 153290250 /nfs/dbraw/zinc/29/02/50/153290250.db2.gz OPCSVNMAERUSBQ-LBPRGKRZSA-N 1 2 292.427 2.282 10 0 CEAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)Nc1ccccc1 ZINC000195506892 153292965 /nfs/dbraw/zinc/29/29/65/153292965.db2.gz BFISHUHURITVIY-UHFFFAOYSA-N 1 2 284.363 2.228 10 0 CEAELO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)NC2CCCCC2)o1 ZINC000230642596 153396323 /nfs/dbraw/zinc/39/63/23/153396323.db2.gz IMRFHFLNOFUKRN-NEPJUHHUSA-N 1 2 279.384 2.471 10 0 CEAELO Cc1ccc(N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c[nH+]1 ZINC000164570046 162335192 /nfs/dbraw/zinc/33/51/92/162335192.db2.gz ZVABIEONKRGGHE-NSHDSACASA-N 1 2 291.376 2.211 10 0 CEAELO COc1c(C[N@H+](C)Cc2cnc(C)s2)c(C)nn1C ZINC000179382838 165281703 /nfs/dbraw/zinc/28/17/03/165281703.db2.gz KUQYJMCKZUAPAP-UHFFFAOYSA-N 1 2 280.397 2.134 10 0 CEAELO COc1c(C[N@@H+](C)Cc2cnc(C)s2)c(C)nn1C ZINC000179382838 165281706 /nfs/dbraw/zinc/28/17/06/165281706.db2.gz KUQYJMCKZUAPAP-UHFFFAOYSA-N 1 2 280.397 2.134 10 0 CEAELO CC(C)c1nnc(C[NH2+][C@H](C)c2ccccn2)n1C ZINC000181787246 165355728 /nfs/dbraw/zinc/35/57/28/165355728.db2.gz JOXMMULQFOVVNA-LLVKDONJSA-N 1 2 259.357 2.184 10 0 CEAELO COCc1noc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000182312054 165369113 /nfs/dbraw/zinc/36/91/13/165369113.db2.gz XBNVWPYFERJGJK-SNVBAGLBSA-N 1 2 263.297 2.146 10 0 CEAELO COCc1noc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000182312054 165369115 /nfs/dbraw/zinc/36/91/15/165369115.db2.gz XBNVWPYFERJGJK-SNVBAGLBSA-N 1 2 263.297 2.146 10 0 CEAELO CCC(=O)N[C@H](C)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000020287449 171133597 /nfs/dbraw/zinc/13/35/97/171133597.db2.gz HFTBMMBIZQNMHV-BXUZGUMPSA-N 1 2 282.409 2.036 10 0 CEAELO Nc1cccc(NC(=O)C[N@@H+]2CCc3sccc3C2)c1 ZINC000022151327 171358759 /nfs/dbraw/zinc/35/87/59/171358759.db2.gz NOAYNEZMUVKDIZ-UHFFFAOYSA-N 1 2 287.388 2.327 10 0 CEAELO Nc1cccc(NC(=O)C[N@H+]2CCc3sccc3C2)c1 ZINC000022151327 171358761 /nfs/dbraw/zinc/35/87/61/171358761.db2.gz NOAYNEZMUVKDIZ-UHFFFAOYSA-N 1 2 287.388 2.327 10 0 CEAELO Nc1ccc(NC(=O)CCn2cc[nH+]c2)c(Cl)c1 ZINC000022219793 171377134 /nfs/dbraw/zinc/37/71/34/171377134.db2.gz TVTZOIUALZWEHE-UHFFFAOYSA-N 1 2 264.716 2.148 10 0 CEAELO CCC[NH2+][C@@](C)(C(=O)OCC)c1ccc(O)cc1 ZINC000037513568 173244978 /nfs/dbraw/zinc/24/49/78/173244978.db2.gz KONRMKSYFUCBEF-CQSZACIVSA-N 1 2 251.326 2.170 10 0 CEAELO COC(=O)[C@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000037514750 173246251 /nfs/dbraw/zinc/24/62/51/173246251.db2.gz HSLZCXVJGGDJBD-MRVPVSSYSA-N 1 2 265.256 2.471 10 0 CEAELO [NH3+][C@@H](CCSCc1cn2cc(Cl)ccc2[nH+]1)C(=O)[O-] ZINC000037735935 173656092 /nfs/dbraw/zinc/65/60/92/173656092.db2.gz CATAYDOTUSGFBX-JTQLQIEISA-N 1 2 299.783 2.023 10 0 CEAELO CC(C)NC(=O)[C@H](C)n1cc[nH+]c1-c1ccc(N)cc1 ZINC000037974252 173928589 /nfs/dbraw/zinc/92/85/89/173928589.db2.gz YTDZEBFFTBJYGN-NSHDSACASA-N 1 2 272.352 2.218 10 0 CEAELO CCCC[C@H](CC)COC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC000038034915 174033565 /nfs/dbraw/zinc/03/35/65/174033565.db2.gz NTPBUHGLLRKKRB-UONOGXRCSA-N 1 2 299.415 2.062 10 0 CEAELO Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(=O)[O-])CC2)o1 ZINC000038042714 174046675 /nfs/dbraw/zinc/04/66/75/174046675.db2.gz SWDXQXBCAIFBDK-OAHLLOKOSA-N 1 2 292.379 2.101 10 0 CEAELO Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(=O)[O-])CC2)o1 ZINC000038042714 174046677 /nfs/dbraw/zinc/04/66/77/174046677.db2.gz SWDXQXBCAIFBDK-OAHLLOKOSA-N 1 2 292.379 2.101 10 0 CEAELO COc1ccc([C@H](C)[NH2+]Cc2csnn2)cc1OC ZINC000040490983 174291644 /nfs/dbraw/zinc/29/16/44/174291644.db2.gz USIYSUDLOWRECG-VIFPVBQESA-N 1 2 279.365 2.406 10 0 CEAELO Cn1cc[nH+]c1CCNC(=O)c1nc(Cl)ccc1Cl ZINC000040690780 174376839 /nfs/dbraw/zinc/37/68/39/174376839.db2.gz INEDWMMNQVHSRC-UHFFFAOYSA-N 1 2 299.161 2.094 10 0 CEAELO C[C@@H](C[NH2+]Cc1nccn1C(F)F)N1CCCCC1 ZINC000044993378 175286982 /nfs/dbraw/zinc/28/69/82/175286982.db2.gz XUGCJACNSSFGLB-NSHDSACASA-N 1 2 272.343 2.242 10 0 CEAELO CCN(CC[C@](C)([NH2+]C)C(=O)OC)c1cccc(C)c1 ZINC000045273234 175343962 /nfs/dbraw/zinc/34/39/62/175343962.db2.gz VDVCSDZHHDCRRF-INIZCTEOSA-N 1 2 278.396 2.363 10 0 CEAELO CCC[NH2+][C@@H](CN(CC)c1ccccc1C)C(=O)OC ZINC000045369768 175363572 /nfs/dbraw/zinc/36/35/72/175363572.db2.gz TUFOAWWZBMLESA-AWEZNQCLSA-N 1 2 278.396 2.363 10 0 CEAELO CCOC(=O)[C@@H](CN(C)c1ccccc1)[NH2+]C(C)C ZINC000045376502 175367061 /nfs/dbraw/zinc/36/70/61/175367061.db2.gz UNEUEPKAKCBYLE-CQSZACIVSA-N 1 2 264.369 2.053 10 0 CEAELO CCC[N@@H+](CC(=O)OC)C[C@H]1OCCc2ccccc21 ZINC000071098182 176032578 /nfs/dbraw/zinc/03/25/78/176032578.db2.gz XXLUZWWGELSLLA-OAHLLOKOSA-N 1 2 277.364 2.185 10 0 CEAELO CCC[N@H+](CC(=O)OC)C[C@H]1OCCc2ccccc21 ZINC000071098182 176032579 /nfs/dbraw/zinc/03/25/79/176032579.db2.gz XXLUZWWGELSLLA-OAHLLOKOSA-N 1 2 277.364 2.185 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]CCOC)CCCC[C@@H]1CC ZINC000071162891 176047153 /nfs/dbraw/zinc/04/71/53/176047153.db2.gz IPQDSXRRKDZZBW-GXTWGEPZSA-N 1 2 257.374 2.125 10 0 CEAELO Cn1cc[nH+]c1Cn1ccc2c1CC(C)(C)C[C@@H]2O ZINC000071275876 176106828 /nfs/dbraw/zinc/10/68/28/176106828.db2.gz ULWLFMYAFQIHLE-ZDUSSCGKSA-N 1 2 259.353 2.276 10 0 CEAELO CC(C)=CC(=O)NCCc1cn2ccc(C)cc2[nH+]1 ZINC000071490479 176190056 /nfs/dbraw/zinc/19/00/56/176190056.db2.gz HNYCVINJOBFKAG-UHFFFAOYSA-N 1 2 257.337 2.268 10 0 CEAELO C[C@H]([NH2+]Cc1c[nH]nn1)C12CC3CC(CC(C3)C1)C2 ZINC000398378858 270358038 /nfs/dbraw/zinc/35/80/38/270358038.db2.gz SZOVKKARVLLFLC-OWWVKFPZSA-N 1 2 260.385 2.499 10 0 CEAELO C[C@H]([NH2+]Cc1cn[nH]n1)C12CC3CC(CC(C3)C1)C2 ZINC000398378858 270358040 /nfs/dbraw/zinc/35/80/40/270358040.db2.gz SZOVKKARVLLFLC-OWWVKFPZSA-N 1 2 260.385 2.499 10 0 CEAELO CC(C)[C@@H](c1[nH]cc[nH+]1)N1C(=O)c2ccccc2C1=O ZINC000073667157 277767462 /nfs/dbraw/zinc/76/74/62/277767462.db2.gz UKOORIWMMFPCJQ-LBPRGKRZSA-N 1 2 269.304 2.403 10 0 CEAELO CC(C)c1nnc(C[N@@H+]2CCS[C@H](C)[C@H]2C)n1C ZINC000118411678 278099318 /nfs/dbraw/zinc/09/93/18/278099318.db2.gz UBBXWAXFQXBOJW-GHMZBOCLSA-N 1 2 268.430 2.264 10 0 CEAELO CC(C)c1nnc(C[N@H+]2CCS[C@H](C)[C@H]2C)n1C ZINC000118411678 278099320 /nfs/dbraw/zinc/09/93/20/278099320.db2.gz UBBXWAXFQXBOJW-GHMZBOCLSA-N 1 2 268.430 2.264 10 0 CEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)c1ccc(O)cc1 ZINC000176949602 278136793 /nfs/dbraw/zinc/13/67/93/278136793.db2.gz KYYJALIAAZMPCB-UHFFFAOYSA-N 1 2 280.349 2.144 10 0 CEAELO Cc1oncc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000181693930 312794667 /nfs/dbraw/zinc/79/46/67/312794667.db2.gz BRCOUAKTBRKNQW-UHFFFAOYSA-N 1 2 274.368 2.398 10 0 CEAELO CCC[NH2+][C@@H](CCN(CC(F)(F)F)C(C)C)C(=O)OC ZINC000062454931 519994986 /nfs/dbraw/zinc/99/49/86/519994986.db2.gz IBZMLWVSRVWMPD-NSHDSACASA-N 1 2 298.349 2.190 10 0 CEAELO CCC[NH2+][C@@](C[NH+]1CCC(C)(C)CC1)(C(=O)[O-])C1CC1 ZINC000069232043 520053565 /nfs/dbraw/zinc/05/35/65/520053565.db2.gz GIVWRZLREZHEKS-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1ccccc1F)C(=O)OCC ZINC000062529818 520085452 /nfs/dbraw/zinc/08/54/52/520085452.db2.gz GXHGSAXNNDKCFI-ZDUSSCGKSA-N 1 2 282.359 2.193 10 0 CEAELO CC[NH2+][C@@H](CCOc1c(C)cccc1C)C(=O)OC ZINC000062547396 520089856 /nfs/dbraw/zinc/08/98/56/520089856.db2.gz HPZPKRWNXPOMTK-ZDUSSCGKSA-N 1 2 265.353 2.223 10 0 CEAELO CC[NH2+][C@@H](CCOC1CCCCCC1)C(=O)OC ZINC000062541151 520090183 /nfs/dbraw/zinc/09/01/83/520090183.db2.gz IJTSALQCUSILIW-ZDUSSCGKSA-N 1 2 257.374 2.267 10 0 CEAELO CC[NH2+][C@@](CO[C@@H](C)CC(C)C)(C(=O)OC)C1CC1 ZINC000069196511 520156857 /nfs/dbraw/zinc/15/68/57/520156857.db2.gz UZSREJMZNXASCS-SWLSCSKDSA-N 1 2 271.401 2.369 10 0 CEAELO CC[NH2+][C@H](CCSc1ccccc1)C(=O)OC ZINC000062597899 520194216 /nfs/dbraw/zinc/19/42/16/520194216.db2.gz IMCZMZHIVNBTCP-GFCCVEGCSA-N 1 2 253.367 2.320 10 0 CEAELO CC(C)C1=NN(c2ccc(F)cc2F)C(=O)[C@H]1CC[NH3+] ZINC000069506021 519558263 /nfs/dbraw/zinc/55/82/63/519558263.db2.gz QRDHICMOJKCFKS-JTQLQIEISA-N 1 2 281.306 2.288 10 0 CEAELO CC(C)[NH2+][C@H](Cn1cc[nH+]c1-c1ccccc1)C(=O)[O-] ZINC000045437638 519738750 /nfs/dbraw/zinc/73/87/50/519738750.db2.gz ZYHXZJDFZFPMHL-CYBMUJFWSA-N 1 2 273.336 2.001 10 0 CEAELO CCC[NH2+][C@@](COC1CCCC1)(C(=O)OC)C1CC1 ZINC000069196777 520055872 /nfs/dbraw/zinc/05/58/72/520055872.db2.gz WUFIUPZQVWZMPY-OAHLLOKOSA-N 1 2 269.385 2.267 10 0 CEAELO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)Nc2cnoc2)cc1 ZINC000061685633 520077717 /nfs/dbraw/zinc/07/77/17/520077717.db2.gz ZGRRTNZOPRPEDR-JTQLQIEISA-N 1 2 295.364 2.146 10 0 CEAELO CCC[NH2+][C@H](COc1cccc(COC)c1)C(=O)OCC ZINC000069508850 520084895 /nfs/dbraw/zinc/08/48/95/520084895.db2.gz KIHCIKHUIIYQOO-OAHLLOKOSA-N 1 2 295.379 2.143 10 0 CEAELO CC[NH2+][C@@H](CCSc1ccccn1)C(=O)OCC ZINC000062599255 520094602 /nfs/dbraw/zinc/09/46/02/520094602.db2.gz OFMUNNRTEABCET-NSHDSACASA-N 1 2 268.382 2.105 10 0 CEAELO CCC[NH2+][C@](COCC1CC1)(C(=O)OCC)C1CC1 ZINC000069196692 520123544 /nfs/dbraw/zinc/12/35/44/520123544.db2.gz URNQCEVWSIMAAZ-HNNXBMFYSA-N 1 2 269.385 2.125 10 0 CEAELO CC[NH2+][C@@](CO[C@H](C)CC)(C(=O)OCC)C1CC1 ZINC000069198270 520157014 /nfs/dbraw/zinc/15/70/14/520157014.db2.gz NHSAJEOSUJQVRB-BXUZGUMPSA-N 1 2 257.374 2.123 10 0 CEAELO CC[NH2+][C@@](CSC(C)C)(C(=O)OCC)C1CC1 ZINC000069188541 520158080 /nfs/dbraw/zinc/15/80/80/520158080.db2.gz MGKCXEOLCWWEPA-CYBMUJFWSA-N 1 2 259.415 2.449 10 0 CEAELO CC[NH2+][C@H](CCOc1cc(C)cc(C)c1)C(=O)OC ZINC000062549545 520191103 /nfs/dbraw/zinc/19/11/03/520191103.db2.gz WFRHWFBCORTDQS-CQSZACIVSA-N 1 2 265.353 2.223 10 0 CEAELO CC[NH2+][C@H](CCOc1ccccc1C)C(=O)OCC ZINC000062549812 520193097 /nfs/dbraw/zinc/19/30/97/520193097.db2.gz BITZENCVQWBNJR-CYBMUJFWSA-N 1 2 265.353 2.305 10 0 CEAELO CC[NH2+][C@H](c1ncccn1)c1cc(C)ccc1OC ZINC000055264052 520211641 /nfs/dbraw/zinc/21/16/41/520211641.db2.gz XYLJKJZSXYHFRZ-AWEZNQCLSA-N 1 2 257.337 2.493 10 0 CEAELO CCNc1nc(Cn2cc[nH+]c2)nc2sccc21 ZINC000050818565 520358500 /nfs/dbraw/zinc/35/85/00/520358500.db2.gz LHLCGWXUVNWEAT-UHFFFAOYSA-N 1 2 259.338 2.368 10 0 CEAELO CCNc1[nH+]cccc1CN1C(=O)COc2ccccc21 ZINC000052732516 520375766 /nfs/dbraw/zinc/37/57/66/520375766.db2.gz ODPFNQBCBQIVMK-UHFFFAOYSA-N 1 2 283.331 2.439 10 0 CEAELO CCOC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccc(O)cc1 ZINC000049368012 521027910 /nfs/dbraw/zinc/02/79/10/521027910.db2.gz IXZHAYHRHNRHNZ-MFKMUULPSA-N 1 2 251.326 2.385 10 0 CEAELO CCOC(=O)[C@@H](CCN(CC)c1ccc(C)cc1)[NH2+]C ZINC000062529064 521058256 /nfs/dbraw/zinc/05/82/56/521058256.db2.gz AKHOZHKBFCVKEF-OAHLLOKOSA-N 1 2 278.396 2.363 10 0 CEAELO CCOC(=O)[C@@H](CCSCc1ccccc1)[NH2+]C ZINC000062598139 521061982 /nfs/dbraw/zinc/06/19/82/521061982.db2.gz SVZAICGJSFQCAQ-CYBMUJFWSA-N 1 2 267.394 2.461 10 0 CEAELO CCCC[C@@](CC)([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000069381785 521123596 /nfs/dbraw/zinc/12/35/96/521123596.db2.gz ZEJPZHNIBDWVRA-TZMCWYRMSA-N 1 2 257.374 2.267 10 0 CEAELO CCOC(=O)[C@](CN(C)c1ccccc1F)([NH2+]C)C1CC1 ZINC000069231471 521338984 /nfs/dbraw/zinc/33/89/84/521338984.db2.gz UGAUOQBOHUNLAI-MRXNPFEDSA-N 1 2 294.370 2.193 10 0 CEAELO CCCc1cc(N)nc(-c2ccc(OC)c(O)c2)[nH+]1 ZINC000050866586 521367058 /nfs/dbraw/zinc/36/70/58/521367058.db2.gz BKYVJNZSXKNCNN-UHFFFAOYSA-N 1 2 259.309 2.393 10 0 CEAELO CC[NH+]1CCN(C[C@H]2C[C@H](C(C)C)CCC2=O)CC1 ZINC000054558837 521686943 /nfs/dbraw/zinc/68/69/43/521686943.db2.gz IZRAYLCUOFDCSZ-HUUCEWRRSA-N 1 2 266.429 2.265 10 0 CEAELO COC(=O)c1cc(F)ccc1NCc1[nH]c[nH+]c1C ZINC000054796005 521869200 /nfs/dbraw/zinc/86/92/00/521869200.db2.gz XAMNKINPFWURQS-UHFFFAOYSA-N 1 2 263.272 2.256 10 0 CEAELO COC(=O)c1ccc(Cl)c(NCc2c[nH+]c[nH]2)c1 ZINC000054764635 522059862 /nfs/dbraw/zinc/05/98/62/522059862.db2.gz UMSHLJZMCAECMV-UHFFFAOYSA-N 1 2 265.700 2.462 10 0 CEAELO COC(=O)c1ccc(Cl)c(NCc2c[nH]c[nH+]2)c1 ZINC000054764635 522059871 /nfs/dbraw/zinc/05/98/71/522059871.db2.gz UMSHLJZMCAECMV-UHFFFAOYSA-N 1 2 265.700 2.462 10 0 CEAELO C[NH2+][C@@H](CCOc1ccc2ccccc2c1)C(=O)OC ZINC000062550761 522349286 /nfs/dbraw/zinc/34/92/86/522349286.db2.gz VUZYZBKRRVVRQE-HNNXBMFYSA-N 1 2 273.332 2.370 10 0 CEAELO C[NH2+][C@@](C)(CCSc1cccc(OC)c1)C(=O)OC ZINC000045558187 522412368 /nfs/dbraw/zinc/41/23/68/522412368.db2.gz USXMYZXXYOUCPH-AWEZNQCLSA-N 1 2 283.393 2.329 10 0 CEAELO C[NH2+][C@@](CSCC1CCCC1)(C(=O)OC)C1CC1 ZINC000069190700 522433211 /nfs/dbraw/zinc/43/32/11/522433211.db2.gz JTYDIVXAPMKJIP-CQSZACIVSA-N 1 2 271.426 2.451 10 0 CEAELO C[NH2+][C@H](c1occc1Br)c1cnccn1 ZINC000068982633 522488508 /nfs/dbraw/zinc/48/85/08/522488508.db2.gz NCSFZGSMVQKRLS-VIFPVBQESA-N 1 2 268.114 2.141 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)Oc1ccc2c(c1)CCC2)C(=O)OC ZINC000068654526 522520896 /nfs/dbraw/zinc/52/08/96/522520896.db2.gz RAPWEZHEIOSOGV-SJKOYZFVSA-N 1 2 291.391 2.484 10 0 CEAELO C[NH2+][C@](COc1cccc(C)c1C)(C(=O)OC)C1CC1 ZINC000069197107 522529469 /nfs/dbraw/zinc/52/94/69/522529469.db2.gz HVSIXSPNUGCUAU-INIZCTEOSA-N 1 2 277.364 2.223 10 0 CEAELO CNc1ccc(Cl)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000050746237 522626842 /nfs/dbraw/zinc/62/68/42/522626842.db2.gz BEVGMQNFCIRBTD-UHFFFAOYSA-N 1 2 292.770 2.398 10 0 CEAELO COc1ccc(-c2[nH+]c(C3CC3)n(N)c2N)cc1C ZINC000052838937 523196112 /nfs/dbraw/zinc/19/61/12/523196112.db2.gz BPXALZHCHBVTBT-UHFFFAOYSA-N 1 2 258.325 2.041 10 0 CEAELO COC(=O)[C@@H](CCOCCCC(C)C)[NH2+]C(C)C ZINC000062543132 523575600 /nfs/dbraw/zinc/57/56/00/523575600.db2.gz FTMPQOXRPDVBQQ-CYBMUJFWSA-N 1 2 259.390 2.369 10 0 CEAELO COC(=O)[C@@H](CCN(C)c1cccc(F)c1)[NH2+]C(C)C ZINC000062530167 523573093 /nfs/dbraw/zinc/57/30/93/523573093.db2.gz MIXGQTDURBSVTH-CQSZACIVSA-N 1 2 282.359 2.192 10 0 CEAELO COC(=O)[C@@](C)(C[C@@H](C)Sc1cnn(C)c1)[NH2+]C(C)C ZINC000068639952 523815131 /nfs/dbraw/zinc/81/51/31/523815131.db2.gz SLMPRIXLTOOFOX-BXUZGUMPSA-N 1 2 299.440 2.221 10 0 CEAELO COC(=O)[C@@](CN(C)c1ccccc1)([NH2+]C1CC1)C1CC1 ZINC000069094211 523824221 /nfs/dbraw/zinc/82/42/21/523824221.db2.gz UKJBTLIKJSFOHB-KRWDZBQOSA-N 1 2 288.391 2.197 10 0 CEAELO CCc1ccc(C(=O)[C@@H](C)[N@H+](CC(N)=O)C(C)C)cc1 ZINC000049138151 523897692 /nfs/dbraw/zinc/89/76/92/523897692.db2.gz PEGPERVNBMIFES-GFCCVEGCSA-N 1 2 276.380 2.016 10 0 CEAELO CCc1ccc(C(=O)[C@@H](C)[N@@H+](CC(N)=O)C(C)C)cc1 ZINC000049138151 523897695 /nfs/dbraw/zinc/89/76/95/523897695.db2.gz PEGPERVNBMIFES-GFCCVEGCSA-N 1 2 276.380 2.016 10 0 CEAELO COC(=O)[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000069610547 523931672 /nfs/dbraw/zinc/93/16/72/523931672.db2.gz DSEHNCJCQWSRDV-QMTHXVAHSA-N 1 2 279.336 2.264 10 0 CEAELO CN1CCc2cc(-c3[nH+]c(C(C)(C)C)n(N)c3N)ccc21 ZINC000052839754 523996985 /nfs/dbraw/zinc/99/69/85/523996985.db2.gz YVAOVMAYRTUHSA-UHFFFAOYSA-N 1 2 285.395 2.136 10 0 CEAELO COC(=O)[C@](Cn1nc(C)c(C)c1C)([NH2+]C(C)C)C1CC1 ZINC000069192781 524005662 /nfs/dbraw/zinc/00/56/62/524005662.db2.gz DZPGXEFBUQLRIQ-MRXNPFEDSA-N 1 2 293.411 2.128 10 0 CEAELO CCc1ccc(OCC[C@](C)([NH2+]C)C(=O)OC)cc1 ZINC000045513331 524007062 /nfs/dbraw/zinc/00/70/62/524007062.db2.gz HOHLYXQZEZMYQG-HNNXBMFYSA-N 1 2 265.353 2.169 10 0 CEAELO CNC(=O)CCC[NH2+]c1ccc(OC(C)C)cc1 ZINC000068817630 524064929 /nfs/dbraw/zinc/06/49/29/524064929.db2.gz FLLHCYYMXINHDM-UHFFFAOYSA-N 1 2 250.342 2.412 10 0 CEAELO Cc1ccc(C[N@H+](C)Cc2cccnc2C(N)=S)o1 ZINC000061659722 524393848 /nfs/dbraw/zinc/39/38/48/524393848.db2.gz SKSZBZMQCZIWPA-UHFFFAOYSA-N 1 2 275.377 2.249 10 0 CEAELO Cc1ccc(C[N@@H+](C)Cc2cccnc2C(N)=S)o1 ZINC000061659722 524393838 /nfs/dbraw/zinc/39/38/38/524393838.db2.gz SKSZBZMQCZIWPA-UHFFFAOYSA-N 1 2 275.377 2.249 10 0 CEAELO C[C@H]([NH2+]Cc1ccncn1)c1nc2ccccc2[nH]1 ZINC000054789955 525471488 /nfs/dbraw/zinc/47/14/88/525471488.db2.gz VTOJXOOXPBZQMT-JTQLQIEISA-N 1 2 253.309 2.204 10 0 CEAELO Cc1cnc(C[NH2+]Cc2ccc(Br)o2)cn1 ZINC000061320049 526040572 /nfs/dbraw/zinc/04/05/72/526040572.db2.gz OAJGKVMWPSCPRB-UHFFFAOYSA-N 1 2 282.141 2.430 10 0 CEAELO Cc1noc(-c2ccccc2NCc2c[nH+]c[nH]2)n1 ZINC000054764252 526455312 /nfs/dbraw/zinc/45/53/12/526455312.db2.gz YDMLWEBPKXXQEJ-UHFFFAOYSA-N 1 2 255.281 2.380 10 0 CEAELO Cc1noc(-c2ccccc2NCc2c[nH]c[nH+]2)n1 ZINC000054764252 526455313 /nfs/dbraw/zinc/45/53/13/526455313.db2.gz YDMLWEBPKXXQEJ-UHFFFAOYSA-N 1 2 255.281 2.380 10 0 CEAELO c1cnn(Cc2ccccc2NCc2c[nH+]c[nH]2)c1 ZINC000054764521 526556753 /nfs/dbraw/zinc/55/67/53/526556753.db2.gz CEOWFSPSKCTCRE-UHFFFAOYSA-N 1 2 253.309 2.267 10 0 CEAELO c1cnn(Cc2ccccc2NCc2c[nH]c[nH+]2)c1 ZINC000054764521 526556756 /nfs/dbraw/zinc/55/67/56/526556756.db2.gz CEOWFSPSKCTCRE-UHFFFAOYSA-N 1 2 253.309 2.267 10 0 CEAELO Cc1[nH+]ccn1-c1nc(Cl)nc(N2CCCCC2)n1 ZINC000061542929 527388334 /nfs/dbraw/zinc/38/83/34/527388334.db2.gz SDQVXPJANYQSDR-UHFFFAOYSA-N 1 2 278.747 2.009 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@@](=O)C[C@H]1CCCCO1 ZINC000176877269 528607217 /nfs/dbraw/zinc/60/72/17/528607217.db2.gz IOYFVADJPGTIBH-XIKOKIGWSA-N 1 2 270.398 2.282 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000220600562 538811358 /nfs/dbraw/zinc/81/13/58/538811358.db2.gz SAUFCYDTRIXHNJ-SNVBAGLBSA-N 1 2 299.330 2.190 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000220600562 538811366 /nfs/dbraw/zinc/81/13/66/538811366.db2.gz SAUFCYDTRIXHNJ-SNVBAGLBSA-N 1 2 299.330 2.190 10 0 CEAELO O=C(/C=C/c1ccco1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177733393 625851214 /nfs/dbraw/zinc/85/12/14/625851214.db2.gz IRBOVWQMGLLHGM-URWSZGRFSA-N 1 2 271.320 2.181 10 0 CEAELO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000124429803 187137103 /nfs/dbraw/zinc/13/71/03/187137103.db2.gz KMDOOEUDIYLFMU-OAHLLOKOSA-N 1 2 294.439 2.136 10 0 CEAELO CCOC(=O)N1CCN(c2cccc3[nH]c(C)[nH+]c32)CC1 ZINC000033886362 361786216 /nfs/dbraw/zinc/78/62/16/361786216.db2.gz CWQYEBVQFCEBBQ-UHFFFAOYSA-N 1 2 288.351 2.150 10 0 CEAELO Nc1cn(Cc2sccc2Br)c[nH+]1 ZINC000725249084 539193857 /nfs/dbraw/zinc/19/38/57/539193857.db2.gz GVMDRDUGBSKCCK-UHFFFAOYSA-N 1 2 258.144 2.338 10 0 CEAELO COc1ccccc1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220585863 539258674 /nfs/dbraw/zinc/25/86/74/539258674.db2.gz GSRPIJYHQREMFK-LBPRGKRZSA-N 1 2 299.374 2.148 10 0 CEAELO COc1ccccc1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220585863 539258675 /nfs/dbraw/zinc/25/86/75/539258675.db2.gz GSRPIJYHQREMFK-LBPRGKRZSA-N 1 2 299.374 2.148 10 0 CEAELO Cc1cc(C[NH+]2CC(CO)C2)sc1Br ZINC000164445361 344471906 /nfs/dbraw/zinc/47/19/06/344471906.db2.gz CVZQFOKUZFSWNT-UHFFFAOYSA-N 1 2 276.199 2.243 10 0 CEAELO Cc1ccc(CC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000328625058 344756126 /nfs/dbraw/zinc/75/61/26/344756126.db2.gz KJBQTCISVBBKEJ-MRXNPFEDSA-N 1 2 297.402 2.455 10 0 CEAELO [NH3+][C@@H](c1ccns1)c1nscc1Br ZINC000404737157 344882004 /nfs/dbraw/zinc/88/20/04/344882004.db2.gz MMDYQCAGHWAVGY-LURJTMIESA-N 1 2 276.184 2.410 10 0 CEAELO C[C@H](CNC(=O)NCCCCC(C)(C)C)[NH+]1CCOCC1 ZINC000103853758 232191979 /nfs/dbraw/zinc/19/19/79/232191979.db2.gz OMSMYMRRDXHDDB-CQSZACIVSA-N 1 2 299.459 2.223 10 0 CEAELO CCCc1nnsc1[C@H]([NH3+])c1ccnn1CCC ZINC000097185518 185557317 /nfs/dbraw/zinc/55/73/17/185557317.db2.gz YWRPVADYIOVDGS-LLVKDONJSA-N 1 2 265.386 2.145 10 0 CEAELO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1COc2ccccc21 ZINC000058728190 362636358 /nfs/dbraw/zinc/63/63/58/362636358.db2.gz DVHJJBNHYUOVOF-AWEZNQCLSA-N 1 2 293.326 2.127 10 0 CEAELO CCCn1ncc(Cl)c1[C@H]([NH2+]C)c1cnc(C)cn1 ZINC000097422761 185600823 /nfs/dbraw/zinc/60/08/23/185600823.db2.gz RHFOLCJZASBUMM-GFCCVEGCSA-N 1 2 279.775 2.354 10 0 CEAELO COCCc1noc(CSCc2[nH+]ccn2C(C)C)n1 ZINC000175296298 232308511 /nfs/dbraw/zinc/30/85/11/232308511.db2.gz JARCBQWASFFIKP-UHFFFAOYSA-N 1 2 296.396 2.469 10 0 CEAELO CC[C@@](C)([C@@H](NN)c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000097585886 185632500 /nfs/dbraw/zinc/63/25/00/185632500.db2.gz CYSZCLVBVLFNBX-GJZGRUSLSA-N 1 2 297.830 2.345 10 0 CEAELO Cc1cccc(Cl)c1NC(=O)[C@H]1CSC[NH2+]1 ZINC000085389504 179048093 /nfs/dbraw/zinc/04/80/93/179048093.db2.gz NHIOEUDMLBZUSW-SECBINFHSA-N 1 2 256.758 2.249 10 0 CEAELO CN(C)c1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c[nH+]1 ZINC000085632801 179108541 /nfs/dbraw/zinc/10/85/41/179108541.db2.gz CYPQHWTZCVMVIM-UBHSHLNASA-N 1 2 261.369 2.373 10 0 CEAELO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccco1 ZINC000085969390 179206594 /nfs/dbraw/zinc/20/65/94/179206594.db2.gz YGLIEMMPTGBHER-KCQAQPDRSA-N 1 2 289.379 2.243 10 0 CEAELO CCOC(=O)[C@]1([NH2+]Cc2cccs2)CCCOCC1 ZINC000086876642 179365683 /nfs/dbraw/zinc/36/56/83/179365683.db2.gz KORWSFIOKJOZKL-AWEZNQCLSA-N 1 2 283.393 2.340 10 0 CEAELO CC[C@H]1CCC[C@@]([NH2+]CCOC)(C(=O)OC)CC1 ZINC000086916450 179367987 /nfs/dbraw/zinc/36/79/87/179367987.db2.gz VTJMMRJETSRVBW-JSGCOSHPSA-N 1 2 257.374 2.125 10 0 CEAELO CCOc1ccc([NH2+]CCCS(=O)(=O)CC)cc1 ZINC000086973412 179371432 /nfs/dbraw/zinc/37/14/32/179371432.db2.gz RFOJSZWPJBPGAK-UHFFFAOYSA-N 1 2 271.382 2.322 10 0 CEAELO NC(=O)c1cccc([C@H]2COCC[N@@H+]2Cc2ccccc2)c1 ZINC000616638759 348543061 /nfs/dbraw/zinc/54/30/61/348543061.db2.gz GJHBAAYHARSRGM-QGZVFWFLSA-N 1 2 296.370 2.359 10 0 CEAELO NC(=O)c1cccc([C@H]2COCC[N@H+]2Cc2ccccc2)c1 ZINC000616638759 348543063 /nfs/dbraw/zinc/54/30/63/348543063.db2.gz GJHBAAYHARSRGM-QGZVFWFLSA-N 1 2 296.370 2.359 10 0 CEAELO c1ccc(C[N@@H+]2CCO[C@@H](c3ncccn3)C2)cc1 ZINC000616645065 348545492 /nfs/dbraw/zinc/54/54/92/348545492.db2.gz WLXSQNGJZJRLHG-CQSZACIVSA-N 1 2 255.321 2.050 10 0 CEAELO c1ccc(C[N@H+]2CCO[C@@H](c3ncccn3)C2)cc1 ZINC000616645065 348545496 /nfs/dbraw/zinc/54/54/96/348545496.db2.gz WLXSQNGJZJRLHG-CQSZACIVSA-N 1 2 255.321 2.050 10 0 CEAELO c1c[nH]c([C@@H]2COCCC[N@H+]2Cc2ccccc2)n1 ZINC000616648983 348546742 /nfs/dbraw/zinc/54/67/42/348546742.db2.gz YYOBECRFQYAGBW-AWEZNQCLSA-N 1 2 257.337 2.373 10 0 CEAELO c1c[nH]c([C@@H]2COCCC[N@@H+]2Cc2ccccc2)n1 ZINC000616648983 348546744 /nfs/dbraw/zinc/54/67/44/348546744.db2.gz YYOBECRFQYAGBW-AWEZNQCLSA-N 1 2 257.337 2.373 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1c1cocn1 ZINC000616607326 348532438 /nfs/dbraw/zinc/53/24/38/348532438.db2.gz IAPOPYBWBJSPFG-GFCCVEGCSA-N 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2.036 10 0 CEAELO Cc1ccncc1C(=O)N1CCn2cc[nH+]c2[C@H]1C(C)C ZINC000257191597 371608708 /nfs/dbraw/zinc/60/87/08/371608708.db2.gz QRVLBCMCFKGAGI-CQSZACIVSA-N 1 2 284.363 2.440 10 0 CEAELO Cc1cc(C(=O)N2CCn3cc[nH+]c3C2)cc(C)c1F ZINC000334193261 291735015 /nfs/dbraw/zinc/73/50/15/291735015.db2.gz IJKBUBOMLPDMDX-UHFFFAOYSA-N 1 2 273.311 2.295 10 0 CEAELO C[C@@H]1NC(=O)CC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000334274394 380265348 /nfs/dbraw/zinc/26/53/48/380265348.db2.gz BJHNXXVWRUHKGB-CBAPKCEASA-N 1 2 273.258 2.179 10 0 CEAELO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(C)no1)CC2 ZINC000092836567 184630513 /nfs/dbraw/zinc/63/05/13/184630513.db2.gz GDKYBZSVLHUBJD-ZDUSSCGKSA-N 1 2 259.309 2.164 10 0 CEAELO CCO[C@H](C)c1noc([C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000080742046 177697477 /nfs/dbraw/zinc/69/74/77/177697477.db2.gz VHAPYQOFBYLGDW-ZWNOBZJWSA-N 1 2 273.336 2.402 10 0 CEAELO Cc1nc(C[N@@H+]2CCCN(Cc3cocn3)CC2)cs1 ZINC000191060382 130178571 /nfs/dbraw/zinc/17/85/71/130178571.db2.gz VEGGQLVIJROPEQ-UHFFFAOYSA-N 1 2 292.408 2.147 10 0 CEAELO Cc1nc(C[N@H+]2CCCN(Cc3cocn3)CC2)cs1 ZINC000191060382 130178572 /nfs/dbraw/zinc/17/85/72/130178572.db2.gz VEGGQLVIJROPEQ-UHFFFAOYSA-N 1 2 292.408 2.147 10 0 CEAELO Cc1nc(CN2CCC[N@H+](Cc3cocn3)CC2)cs1 ZINC000191060382 130178573 /nfs/dbraw/zinc/17/85/73/130178573.db2.gz VEGGQLVIJROPEQ-UHFFFAOYSA-N 1 2 292.408 2.147 10 0 CEAELO Cc1nc(CN2CCC[N@@H+](Cc3cocn3)CC2)cs1 ZINC000191060382 130178574 /nfs/dbraw/zinc/17/85/74/130178574.db2.gz VEGGQLVIJROPEQ-UHFFFAOYSA-N 1 2 292.408 2.147 10 0 CEAELO CCC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000085682123 135037774 /nfs/dbraw/zinc/03/77/74/135037774.db2.gz NUQMCVBHCOYMKS-GFCCVEGCSA-N 1 2 264.344 2.315 10 0 CEAELO C[C@@H]1[C@@H](C)CCCN1c1nc(N)[nH+]cc1Br ZINC000087826480 135051399 /nfs/dbraw/zinc/05/13/99/135051399.db2.gz FRDFAXLSJFIUDP-JGVFFNPUSA-N 1 2 285.189 2.446 10 0 CEAELO C[C@@H]1COC2(CCN(c3[nH]c4ccccc4[nH+]3)CC2)O1 ZINC000301852236 394466351 /nfs/dbraw/zinc/46/63/51/394466351.db2.gz BQBWFAPZLALHJI-LLVKDONJSA-N 1 2 273.336 2.295 10 0 CEAELO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246426477 394515581 /nfs/dbraw/zinc/51/55/81/394515581.db2.gz CJVQNLLJBBDINO-RISCZKNCSA-N 1 2 293.338 2.424 10 0 CEAELO COC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246426477 394515582 /nfs/dbraw/zinc/51/55/82/394515582.db2.gz CJVQNLLJBBDINO-RISCZKNCSA-N 1 2 293.338 2.424 10 0 CEAELO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000049674872 394549580 /nfs/dbraw/zinc/54/95/80/394549580.db2.gz VNKNRFZEDVEXIX-XHDPSFHLSA-N 1 2 287.363 2.028 10 0 CEAELO CC(C)CCC[C@H](C)NC(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000077657864 394624101 /nfs/dbraw/zinc/62/41/01/394624101.db2.gz QDWYPMXYRNRCFX-RRFJBIMHSA-N 1 2 284.444 2.427 10 0 CEAELO CCn1cc[nH+]c1Cn1nnnc1CCCc1ccccc1 ZINC000080292885 394634906 /nfs/dbraw/zinc/63/49/06/394634906.db2.gz SZFHMDUZGZUQCJ-UHFFFAOYSA-N 1 2 296.378 2.113 10 0 CEAELO CCn1cc([C@@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)cn1 ZINC000190766076 153141930 /nfs/dbraw/zinc/14/19/30/153141930.db2.gz CSDZTVANMSISFI-GJZGRUSLSA-N 1 2 261.369 2.385 10 0 CEAELO CCn1cc([C@@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)cn1 ZINC000190766076 153141936 /nfs/dbraw/zinc/14/19/36/153141936.db2.gz CSDZTVANMSISFI-GJZGRUSLSA-N 1 2 261.369 2.385 10 0 CEAELO Cc1csc([C@@H]2C[N@H+](CCOC(C)C)CCO2)n1 ZINC000195389987 153286742 /nfs/dbraw/zinc/28/67/42/153286742.db2.gz UKPAZHQEXQZXKK-LBPRGKRZSA-N 1 2 270.398 2.250 10 0 CEAELO Cc1csc([C@@H]2C[N@@H+](CCOC(C)C)CCO2)n1 ZINC000195389987 153286748 /nfs/dbraw/zinc/28/67/48/153286748.db2.gz UKPAZHQEXQZXKK-LBPRGKRZSA-N 1 2 270.398 2.250 10 0 CEAELO OCC[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000226803142 153339651 /nfs/dbraw/zinc/33/96/51/153339651.db2.gz JBUWUDQUDAEHDA-SECBINFHSA-N 1 2 260.259 2.309 10 0 CEAELO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CCO)C2)c(Cl)c1 ZINC000227568233 153346304 /nfs/dbraw/zinc/34/63/04/153346304.db2.gz NWLXPEQPILXOFY-GFCCVEGCSA-N 1 2 296.798 2.291 10 0 CEAELO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CCO)C2)c(Cl)c1 ZINC000227568233 153346306 /nfs/dbraw/zinc/34/63/06/153346306.db2.gz NWLXPEQPILXOFY-GFCCVEGCSA-N 1 2 296.798 2.291 10 0 CEAELO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cccc(C)c2F)C1 ZINC000263519050 154112352 /nfs/dbraw/zinc/11/23/52/154112352.db2.gz PZQKJZAKIZSALG-UHFFFAOYSA-N 1 2 294.370 2.161 10 0 CEAELO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cccc(C)c2F)C1 ZINC000263519050 154112357 /nfs/dbraw/zinc/11/23/57/154112357.db2.gz PZQKJZAKIZSALG-UHFFFAOYSA-N 1 2 294.370 2.161 10 0 CEAELO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(C)n2CC)C1(C)C ZINC000172666294 165060808 /nfs/dbraw/zinc/06/08/08/165060808.db2.gz LGPJCWQNIMSDFT-STQMWFEESA-N 1 2 280.416 2.242 10 0 CEAELO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(C)n2CC)C1(C)C ZINC000172666294 165060816 /nfs/dbraw/zinc/06/08/16/165060816.db2.gz LGPJCWQNIMSDFT-STQMWFEESA-N 1 2 280.416 2.242 10 0 CEAELO c1csc([C@@H]2CCCCN2CCC[NH+]2CCOCC2)n1 ZINC000173650589 165078258 /nfs/dbraw/zinc/07/82/58/165078258.db2.gz FPTZUWHHLPGJQO-AWEZNQCLSA-N 1 2 295.452 2.392 10 0 CEAELO CCc1nc(C2([NH2+]CCOC(C)C)CCCC2)no1 ZINC000173697319 165079670 /nfs/dbraw/zinc/07/96/70/165079670.db2.gz LTPXEPOWNYBQDV-UHFFFAOYSA-N 1 2 267.373 2.416 10 0 CEAELO C[C@H](NC(=O)[C@H]1CCCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173946895 165090642 /nfs/dbraw/zinc/09/06/42/165090642.db2.gz ZRWKNQYVYAPFFU-ZFWWWQNUSA-N 1 2 299.374 2.476 10 0 CEAELO CC(C)(C)C[C@H]([NH2+]C1CCN(C(N)=O)CC1)C(F)(F)F ZINC000181053931 165329036 /nfs/dbraw/zinc/32/90/36/165329036.db2.gz WBDOTAVCZHFTIL-JTQLQIEISA-N 1 2 295.349 2.486 10 0 CEAELO CCn1cc[nH+]c1CSc1nnc(C(F)F)n1C ZINC000181221063 165336081 /nfs/dbraw/zinc/33/60/81/165336081.db2.gz JOMVXOXDAFIITE-UHFFFAOYSA-N 1 2 273.312 2.261 10 0 CEAELO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)N(C)C ZINC000035139022 172006731 /nfs/dbraw/zinc/00/67/31/172006731.db2.gz KSDHCGQJWGKLPR-SWLSCSKDSA-N 1 2 272.348 2.435 10 0 CEAELO C[C@H](Nc1cc(C(N)=S)cc[nH+]1)c1ccncc1 ZINC000035693908 172362974 /nfs/dbraw/zinc/36/29/74/172362974.db2.gz GYIRZMMZYOQAIW-VIFPVBQESA-N 1 2 258.350 2.284 10 0 CEAELO O=c1nc(C[NH2+]CCc2cccs2)[nH]c2ccsc21 ZINC000037328628 173129177 /nfs/dbraw/zinc/12/91/77/173129177.db2.gz TZOAJJVFMZLRMT-UHFFFAOYSA-N 1 2 291.401 2.378 10 0 CEAELO CCCC[C@H](CC)COC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC000038034917 174033114 /nfs/dbraw/zinc/03/31/14/174033114.db2.gz NTPBUHGLLRKKRB-KBPBESRZSA-N 1 2 299.415 2.062 10 0 CEAELO CC[C@@H](C)[NH2+][C@](C)(C(=O)OC)c1cccc(OC)c1 ZINC000038067040 174078617 /nfs/dbraw/zinc/07/86/17/174078617.db2.gz RAVSIPCZARDVMK-ABAIWWIYSA-N 1 2 265.353 2.472 10 0 CEAELO Cc1csc(C[NH2+]CC(=O)Nc2ccc(C)cc2)n1 ZINC000038091652 174105714 /nfs/dbraw/zinc/10/57/14/174105714.db2.gz SKWQEWRKAYJGID-UHFFFAOYSA-N 1 2 275.377 2.488 10 0 CEAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)NC1CC1 ZINC000040295516 174223708 /nfs/dbraw/zinc/22/37/08/174223708.db2.gz XGRYQDOVVVWGAF-UHFFFAOYSA-N 1 2 257.337 2.240 10 0 CEAELO CCNc1[nH+]cnc(Nc2cccnc2Cl)c1N ZINC000040707568 174380475 /nfs/dbraw/zinc/38/04/75/174380475.db2.gz RJJWEOQCIAOWQT-UHFFFAOYSA-N 1 2 264.720 2.283 10 0 CEAELO CN(C)c1[nH+]cnc(Nc2cccc3cccnc32)c1N ZINC000040723460 174385810 /nfs/dbraw/zinc/38/58/10/174385810.db2.gz DFXOJDXUTGLAGS-UHFFFAOYSA-N 1 2 280.335 2.417 10 0 CEAELO COc1cc(OC)c(Nc2nc[nH+]c(N)c2N)cc1Cl ZINC000040724068 174386591 /nfs/dbraw/zinc/38/65/91/174386591.db2.gz KEGRTQUYBDTFKY-UHFFFAOYSA-N 1 2 295.730 2.055 10 0 CEAELO Cc1nc([C@H](C)NCc2c[nH+]c3n2CCC3)cs1 ZINC000657353832 414880396 /nfs/dbraw/zinc/88/03/96/414880396.db2.gz MVAKITOZOGLIDV-VIFPVBQESA-N 1 2 262.382 2.445 10 0 CEAELO Cc1nc(CNc2[nH+]c(C)ccc2C(N)=S)cs1 ZINC000043396917 175036636 /nfs/dbraw/zinc/03/66/36/175036636.db2.gz BVDDNQIDBHKKAO-UHFFFAOYSA-N 1 2 278.406 2.401 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747549 175243147 /nfs/dbraw/zinc/24/31/47/175243147.db2.gz DETAHFHZGUOAOG-HZMBPMFUSA-N 1 2 263.337 2.311 10 0 CEAELO Nc1cccc(Cl)c1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000045165910 175319084 /nfs/dbraw/zinc/31/90/84/175319084.db2.gz WAKHTZGVJVIXGU-UHFFFAOYSA-N 1 2 283.740 2.118 10 0 CEAELO CCC[NH2+][C@@](C)(CN(CC)c1ccccc1)C(=O)OC ZINC000045232074 175335391 /nfs/dbraw/zinc/33/53/91/175335391.db2.gz GBGJZXQQFVGJOU-INIZCTEOSA-N 1 2 278.396 2.444 10 0 CEAELO CCC[NH2+][C@](C)(CN(CC)c1ccccc1)C(=O)OC ZINC000045232076 175335514 /nfs/dbraw/zinc/33/55/14/175335514.db2.gz GBGJZXQQFVGJOU-MRXNPFEDSA-N 1 2 278.396 2.444 10 0 CEAELO CCCC[N@H+](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])[C@@H](C)CC ZINC000045282511 175352914 /nfs/dbraw/zinc/35/29/14/175352914.db2.gz BRVOUBQMJLPUKM-SWLSCSKDSA-N 1 2 270.417 2.482 10 0 CEAELO CCCC[N@@H+](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])[C@@H](C)CC ZINC000045282511 175352915 /nfs/dbraw/zinc/35/29/15/175352915.db2.gz BRVOUBQMJLPUKM-SWLSCSKDSA-N 1 2 270.417 2.482 10 0 CEAELO CCC[NH2+][C@H](CN(CC)c1ccccc1)C(=O)OCC ZINC000045379835 175368923 /nfs/dbraw/zinc/36/89/23/175368923.db2.gz XHEDYQGJYQOQMF-OAHLLOKOSA-N 1 2 278.396 2.444 10 0 CEAELO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090977 176031645 /nfs/dbraw/zinc/03/16/45/176031645.db2.gz JAHLSLHRYWMZOS-CVEARBPZSA-N 1 2 291.391 2.478 10 0 CEAELO CC[NH2+][C@@](C)(COc1cc(F)ccc1F)C(=O)OCC ZINC000071168470 176050149 /nfs/dbraw/zinc/05/01/49/176050149.db2.gz QBJIJJSBXSHJFP-AWEZNQCLSA-N 1 2 287.306 2.275 10 0 CEAELO CCOC(=O)c1[nH+]c(C)n([C@@H]2CCC[C@@H]2C)c1N ZINC000071209293 176081701 /nfs/dbraw/zinc/08/17/01/176081701.db2.gz IOTSBFCSKVHYKO-WCBMZHEXSA-N 1 2 251.330 2.312 10 0 CEAELO Cn1cc[nH+]c1CN[C@H](c1cccs1)c1nccn1C ZINC000071273266 176104970 /nfs/dbraw/zinc/10/49/70/176104970.db2.gz XIDNFRXDFCTISC-CYBMUJFWSA-N 1 2 287.392 2.094 10 0 CEAELO Cn1ccnc1CNc1ccc2cc(N)ccc2[nH+]1 ZINC000071275476 176106819 /nfs/dbraw/zinc/10/68/19/176106819.db2.gz BBZXDNYAMIZKMO-UHFFFAOYSA-N 1 2 253.309 2.163 10 0 CEAELO Cc1ccc(N)c(C(=O)N[C@@H]2CCC[C@H]2n2cc[nH+]c2)c1 ZINC000071383075 176146758 /nfs/dbraw/zinc/14/67/58/176146758.db2.gz IZZGYFPJRRARIZ-HUUCEWRRSA-N 1 2 284.363 2.297 10 0 CEAELO CCc1[nH+]c2ccc(C(=O)N3CCC(=O)CC3)cn2c1C ZINC000071551910 176196661 /nfs/dbraw/zinc/19/66/61/176196661.db2.gz MADPDLJZLGVMMA-UHFFFAOYSA-N 1 2 285.347 2.010 10 0 CEAELO CCS(=O)(=O)Nc1ccc(-c2[nH+]c[nH]c2C)cc1 ZINC000074860485 176624612 /nfs/dbraw/zinc/62/46/12/176624612.db2.gz OUMCWLXEOLOJLC-UHFFFAOYSA-N 1 2 265.338 2.147 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1NC(=O)c1ccccc1 ZINC000076716283 177069208 /nfs/dbraw/zinc/06/92/08/177069208.db2.gz HDWZEXJEZFLUJZ-UHFFFAOYSA-N 1 2 271.320 2.409 10 0 CEAELO COC(=O)c1cc(NCC2CCSCC2)cc[nH+]1 ZINC000078257874 177328915 /nfs/dbraw/zinc/32/89/15/177328915.db2.gz KJZMSHQENKFVIU-UHFFFAOYSA-N 1 2 266.366 2.423 10 0 CEAELO C[C@@H]1c2cccc(C(=O)NCCc3c[nH+]c[nH]3)c2O[C@H]1C ZINC000078742460 177380406 /nfs/dbraw/zinc/38/04/06/177380406.db2.gz XDRWBRFFGRJSGN-QWRGUYRKSA-N 1 2 285.347 2.267 10 0 CEAELO C[C@@H]1c2cccc(C(=O)NCCc3c[nH]c[nH+]3)c2O[C@H]1C ZINC000078742460 177380407 /nfs/dbraw/zinc/38/04/07/177380407.db2.gz XDRWBRFFGRJSGN-QWRGUYRKSA-N 1 2 285.347 2.267 10 0 CEAELO CCCn1ccnc1[C@H]([NH3+])c1ccc(Cl)cn1 ZINC000079750979 177552022 /nfs/dbraw/zinc/55/20/22/177552022.db2.gz MNHUVYNOVCTXOO-LLVKDONJSA-N 1 2 250.733 2.390 10 0 CEAELO CN(C(=O)C[N@@H+]1CCCC[C@H]1c1nccs1)C1CC1 ZINC000195372293 419455320 /nfs/dbraw/zinc/45/53/20/419455320.db2.gz RXPQIEJSRQZNBM-LBPRGKRZSA-N 1 2 279.409 2.291 10 0 CEAELO CN(C(=O)C[N@H+]1CCCC[C@H]1c1nccs1)C1CC1 ZINC000195372293 419455332 /nfs/dbraw/zinc/45/53/32/419455332.db2.gz RXPQIEJSRQZNBM-LBPRGKRZSA-N 1 2 279.409 2.291 10 0 CEAELO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000248845894 275025865 /nfs/dbraw/zinc/02/58/65/275025865.db2.gz NCOZEECQJMGIMJ-DOTOQJQBSA-N 1 2 299.418 2.110 10 0 CEAELO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCN2CCCC[C@H]2C1 ZINC000248845894 275025867 /nfs/dbraw/zinc/02/58/67/275025867.db2.gz NCOZEECQJMGIMJ-DOTOQJQBSA-N 1 2 299.418 2.110 10 0 CEAELO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246777240 277080138 /nfs/dbraw/zinc/08/01/38/277080138.db2.gz VXAKKOOFWOVNBX-WCQYABFASA-N 1 2 265.378 2.338 10 0 CEAELO COC(=O)[C@@H](c1ccccc1)[N@H+]1CCS[C@@H](C)C1 ZINC000246777240 277080141 /nfs/dbraw/zinc/08/01/41/277080141.db2.gz VXAKKOOFWOVNBX-WCQYABFASA-N 1 2 265.378 2.338 10 0 CEAELO Cn1cccc1C(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484256 279368367 /nfs/dbraw/zinc/36/83/67/279368367.db2.gz RJNNRQXQCKZADZ-ZDUSSCGKSA-N 1 2 272.352 2.158 10 0 CEAELO Cn1cccc1C(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484256 279368370 /nfs/dbraw/zinc/36/83/70/279368370.db2.gz RJNNRQXQCKZADZ-ZDUSSCGKSA-N 1 2 272.352 2.158 10 0 CEAELO O=C(c1ccc2[nH]ccc2c1)N1CCn2cc[nH+]c2C1 ZINC000111399709 280193282 /nfs/dbraw/zinc/19/32/82/280193282.db2.gz RCBHIIYPAWJUMD-UHFFFAOYSA-N 1 2 266.304 2.020 10 0 CEAELO CCCNc1snnc1C[N@H+](CC)[C@@H](C)COC ZINC000050814962 520202382 /nfs/dbraw/zinc/20/23/82/520202382.db2.gz YRKMLAGKULISLO-JTQLQIEISA-N 1 2 272.418 2.217 10 0 CEAELO CCCNc1snnc1C[N@@H+](CC)[C@@H](C)COC ZINC000050814962 520202386 /nfs/dbraw/zinc/20/23/86/520202386.db2.gz YRKMLAGKULISLO-JTQLQIEISA-N 1 2 272.418 2.217 10 0 CEAELO CCOC(=O)[C@H](CCN(C)c1ccc(C)cc1C)[NH2+]C ZINC000062528896 521242715 /nfs/dbraw/zinc/24/27/15/521242715.db2.gz JUZFPWFCNYBPJV-AWEZNQCLSA-N 1 2 278.396 2.281 10 0 CEAELO CCOC(=O)[C@](C)(Cn1nc(C)c(Cl)c1C)[NH2+]C1CC1 ZINC000050588251 521325448 /nfs/dbraw/zinc/32/54/48/521325448.db2.gz UEKUMDCWVOBBQF-AWEZNQCLSA-N 1 2 299.802 2.227 10 0 CEAELO CCC(CC)C[N@H+](CC)C[C@]([NH2+]C)(C(=O)[O-])C1CC1 ZINC000069132127 521521164 /nfs/dbraw/zinc/52/11/64/521521164.db2.gz APSRCJGYXIRBQJ-OAHLLOKOSA-N 1 2 270.417 2.197 10 0 CEAELO CCC(CC)C[N@@H+](CC)C[C@]([NH2+]C)(C(=O)[O-])C1CC1 ZINC000069132127 521521172 /nfs/dbraw/zinc/52/11/72/521521172.db2.gz APSRCJGYXIRBQJ-OAHLLOKOSA-N 1 2 270.417 2.197 10 0 CEAELO CC[C@@H](C)N(CC)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061537144 522085244 /nfs/dbraw/zinc/08/52/44/522085244.db2.gz GQDQHBSBTQHXLH-SECBINFHSA-N 1 2 280.763 2.336 10 0 CEAELO C[C@H](CNC(=O)CC1CCCCCC1)[NH+]1CCOCC1 ZINC000175413738 534074799 /nfs/dbraw/zinc/07/47/99/534074799.db2.gz JPURTWUIHSVSKU-CQSZACIVSA-N 1 2 282.428 2.184 10 0 CEAELO CC(C)Cn1cnnc1[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000054526238 519531182 /nfs/dbraw/zinc/53/11/82/519531182.db2.gz WHDRYHWTEVVWDR-AWEZNQCLSA-N 1 2 256.353 2.321 10 0 CEAELO CC(=O)N1CCc2cc(NCc3c[nH+]c(C)[nH]3)ccc21 ZINC000054821774 519632752 /nfs/dbraw/zinc/63/27/52/519632752.db2.gz SGKFBQLLJZFMRP-UHFFFAOYSA-N 1 2 270.336 2.239 10 0 CEAELO CC(=O)N1CCc2cc(NCc3c[nH]c(C)[nH+]3)ccc21 ZINC000054821774 519632755 /nfs/dbraw/zinc/63/27/55/519632755.db2.gz SGKFBQLLJZFMRP-UHFFFAOYSA-N 1 2 270.336 2.239 10 0 CEAELO CCC[NH2+][C@@H](COc1ccccc1OCCC)C(=O)OC ZINC000045502732 520010654 /nfs/dbraw/zinc/01/06/54/520010654.db2.gz UKQZUUUEJWEPIK-ZDUSSCGKSA-N 1 2 295.379 2.395 10 0 CEAELO CC[NH2+][C@@H](CCOc1cccc(F)c1)C(=O)OCC ZINC000062550351 520092204 /nfs/dbraw/zinc/09/22/04/520092204.db2.gz LESWAKVIIWJYQH-ZDUSSCGKSA-N 1 2 269.316 2.136 10 0 CEAELO CC[NH2+][C@@H](CCOc1cccc(C)c1)C(=O)OCC ZINC000062549678 520092744 /nfs/dbraw/zinc/09/27/44/520092744.db2.gz DPOPZXAKWOOPEY-AWEZNQCLSA-N 1 2 265.353 2.305 10 0 CEAELO CCC[NH2+][C@](C[N@H+](C)[C@@H](C)C(C)C)(C(=O)[O-])C1CC1 ZINC000069099620 520119396 /nfs/dbraw/zinc/11/93/96/520119396.db2.gz CJQDYMABZMWJQX-WFASDCNBSA-N 1 2 270.417 2.196 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](C)[C@@H](C)C(C)C)(C(=O)[O-])C1CC1 ZINC000069099620 520119402 /nfs/dbraw/zinc/11/94/02/520119402.db2.gz CJQDYMABZMWJQX-WFASDCNBSA-N 1 2 270.417 2.196 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)Oc1ccccc1OC)C(=O)OC ZINC000068656593 520141183 /nfs/dbraw/zinc/14/11/83/520141183.db2.gz OOBAMHWJYMNYPJ-WBMJQRKESA-N 1 2 295.379 2.394 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)Oc1ccccc1OC)C(=O)OC ZINC000068656597 520147573 /nfs/dbraw/zinc/14/75/73/520147573.db2.gz OOBAMHWJYMNYPJ-LRDDRELGSA-N 1 2 295.379 2.394 10 0 CEAELO CC[NH2+][C@@](COc1cccc(F)c1F)(C(=O)OC)C1CC1 ZINC000069198622 520159140 /nfs/dbraw/zinc/15/91/40/520159140.db2.gz DJNAWLTYOBBRJV-OAHLLOKOSA-N 1 2 299.317 2.275 10 0 CEAELO CC[NH2+][C@@](Cn1c(C)[nH+]c2ccccc21)(C(=O)[O-])C1CC1 ZINC000069191768 520160451 /nfs/dbraw/zinc/16/04/51/520160451.db2.gz YTLIVBAXGXMXRX-MRXNPFEDSA-N 1 2 287.363 2.188 10 0 CEAELO CC[NH2+][C@H](c1ccc2c(c1)OCCCO2)c1ncccn1 ZINC000055224896 520210183 /nfs/dbraw/zinc/21/01/83/520210183.db2.gz GMPOFVPIZUQSQR-OAHLLOKOSA-N 1 2 285.347 2.337 10 0 CEAELO CC[NH2+][C@](C[N@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095790 520242093 /nfs/dbraw/zinc/24/20/93/520242093.db2.gz BTNVNJSZULRSJH-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@](C[N@@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095790 520242100 /nfs/dbraw/zinc/24/21/00/520242100.db2.gz BTNVNJSZULRSJH-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@](C[NH+]1[C@@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096030 520248647 /nfs/dbraw/zinc/24/86/47/520248647.db2.gz HSEMIHQQLQJBRF-HUBLWGQQSA-N 1 2 268.401 2.092 10 0 CEAELO CCNc1ccc(Cn2ncc3ccccc3c2=O)c[nH+]1 ZINC000050818651 520318276 /nfs/dbraw/zinc/31/82/76/520318276.db2.gz VZSDNMNVPIYWBH-UHFFFAOYSA-N 1 2 280.331 2.272 10 0 CEAELO CCNc1ncccc1C[N@@H+]1CCC[C@@H]1C(=O)OCC ZINC000052723773 520378250 /nfs/dbraw/zinc/37/82/50/520378250.db2.gz CBEKQOJJABFMNI-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO CCNc1ncccc1C[N@H+]1CCC[C@@H]1C(=O)OCC ZINC000052723773 520378263 /nfs/dbraw/zinc/37/82/63/520378263.db2.gz CBEKQOJJABFMNI-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO CCOC(=O)C1([NH2+]CCOC)CCC(C(C)C)CC1 ZINC000054557481 520469895 /nfs/dbraw/zinc/46/98/95/520469895.db2.gz QUEGJNWKLRFKOC-UHFFFAOYSA-N 1 2 271.401 2.371 10 0 CEAELO CCCCOCCO[C@@H](C)C[C@@](C)([NH2+]C)C(=O)OCC ZINC000068653032 520791277 /nfs/dbraw/zinc/79/12/77/520791277.db2.gz LSOOJJSDUKALKM-DZGCQCFKSA-N 1 2 289.416 2.140 10 0 CEAELO CCOC(=O)[C@@H](C)Nc1ccc2[nH+]cccc2c1N ZINC000049371871 521030482 /nfs/dbraw/zinc/03/04/82/521030482.db2.gz GVRQSKFJFXBMOO-SECBINFHSA-N 1 2 259.309 2.181 10 0 CEAELO CCOC(=O)[C@@H](CCN(CC)c1cccc(F)c1)[NH2+]C ZINC000062457462 521056836 /nfs/dbraw/zinc/05/68/36/521056836.db2.gz BTGSDPNLOARJAK-CQSZACIVSA-N 1 2 282.359 2.193 10 0 CEAELO CCOC(=O)[C@@H](CCOC1CCCCC1)[NH2+]C1CC1 ZINC000062545876 521059123 /nfs/dbraw/zinc/05/91/23/521059123.db2.gz OJIWIZBHMRSOTL-CQSZACIVSA-N 1 2 269.385 2.410 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@H](C)OC[C@@H]1CCCO1)[NH2+]C1CC1 ZINC000068653454 521149769 /nfs/dbraw/zinc/14/97/69/521149769.db2.gz MVSAITGPWAHIFK-DUVNUKRYSA-N 1 2 299.411 2.034 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@H](C)OCC(F)(F)F)[NH2+]C1CC1 ZINC000068654684 521150874 /nfs/dbraw/zinc/15/08/74/521150874.db2.gz ZBFCNFNUAZSBSL-JOYOIKCWSA-N 1 2 297.317 2.418 10 0 CEAELO CCOC(=O)[C@@](Cn1nc(C)cc1C)([NH2+]C(C)C)C1CC1 ZINC000069192076 521168533 /nfs/dbraw/zinc/16/85/33/521168533.db2.gz XRJFLBYTAHJHBN-INIZCTEOSA-N 1 2 293.411 2.210 10 0 CEAELO CCOC(=O)[C@@](COc1cccc(F)c1)([NH2+]C)C1CC1 ZINC000069197692 521169224 /nfs/dbraw/zinc/16/92/24/521169224.db2.gz NCXDWTGDVBZERS-HNNXBMFYSA-N 1 2 281.327 2.136 10 0 CEAELO CCOc1ccc(OCC[C@@H]([NH2+]C2CC2)C(=O)OC)cc1 ZINC000062547640 521176694 /nfs/dbraw/zinc/17/66/94/521176694.db2.gz PJKLNESKDATWTI-OAHLLOKOSA-N 1 2 293.363 2.148 10 0 CEAELO CCOc1ccc(O[C@@H](C)C[C@@](C)([NH2+]C)C(=O)OC)cc1 ZINC000068655144 521181084 /nfs/dbraw/zinc/18/10/84/521181084.db2.gz ZOIPGNWKUCFHLR-BLLLJJGKSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)Oc1ccccc1OC)[NH2+]C ZINC000068656589 521322130 /nfs/dbraw/zinc/32/21/30/521322130.db2.gz VBKOEHQVNVYWLV-WBMJQRKESA-N 1 2 295.379 2.394 10 0 CEAELO CCCc1[nH+]c(-c2cc(F)ccc2F)c(N)n1N ZINC000052839437 521464128 /nfs/dbraw/zinc/46/41/28/521464128.db2.gz KNWXXLSSYGUSGT-UHFFFAOYSA-N 1 2 252.268 2.077 10 0 CEAELO CC[N@@H+]1CCN(c2nc(C3CC3)c(C=O)s2)C[C@@H]1C ZINC000069181423 521700967 /nfs/dbraw/zinc/70/09/67/521700967.db2.gz VRPHIBNUEMREJP-JTQLQIEISA-N 1 2 279.409 2.363 10 0 CEAELO CC[N@H+]1CCN(c2nc(C3CC3)c(C=O)s2)C[C@@H]1C ZINC000069181423 521700968 /nfs/dbraw/zinc/70/09/68/521700968.db2.gz VRPHIBNUEMREJP-JTQLQIEISA-N 1 2 279.409 2.363 10 0 CEAELO CCc1cccc(NC(=O)c2cccc(NN)[nH+]2)c1 ZINC000051112640 521769900 /nfs/dbraw/zinc/76/99/00/521769900.db2.gz YAEORPWPBGCCCY-UHFFFAOYSA-N 1 2 256.309 2.182 10 0 CEAELO COC(=O)c1cc(NCc2[nH]c[nH+]c2C)c(F)cc1F ZINC000054795862 521893362 /nfs/dbraw/zinc/89/33/62/521893362.db2.gz MYMCKOBFABOLBU-UHFFFAOYSA-N 1 2 281.262 2.395 10 0 CEAELO C[NH2+][C@@H](CCSc1ccc2c(c1)CCC2)C(=O)OC ZINC000062600484 522352445 /nfs/dbraw/zinc/35/24/45/522352445.db2.gz CBJURFQAMIUXKO-AWEZNQCLSA-N 1 2 279.405 2.419 10 0 CEAELO C[NH2+][C@H](CCOc1ccc2c(c1)CCCC2)C(=O)OC ZINC000062542245 522463450 /nfs/dbraw/zinc/46/34/50/522463450.db2.gz UPNRXTHPAJCGAO-OAHLLOKOSA-N 1 2 277.364 2.095 10 0 CEAELO CNc1ccc(C)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000053000843 522603877 /nfs/dbraw/zinc/60/38/77/522603877.db2.gz HVVQIFZGMXAHIO-UHFFFAOYSA-N 1 2 272.352 2.053 10 0 CEAELO COC(=O)[C@@H](CCOc1ccc(C)cc1)[NH2+]C1CC1 ZINC000062543613 523575350 /nfs/dbraw/zinc/57/53/50/523575350.db2.gz GIMNYEIGBKKMGZ-CQSZACIVSA-N 1 2 263.337 2.058 10 0 CEAELO COC(=O)[C@@H]([NH2+]CCC(=O)c1ccc(F)cc1)C(C)C ZINC000062709699 523628239 /nfs/dbraw/zinc/62/82/39/523628239.db2.gz ZPWWVLVFQKEQQH-AWEZNQCLSA-N 1 2 281.327 2.186 10 0 CEAELO COc1ccc(CCNc2cc[nH+]c(C(N)=S)c2)cc1 ZINC000061811979 523978361 /nfs/dbraw/zinc/97/83/61/523978361.db2.gz ZYTPQYAHOFDMSH-UHFFFAOYSA-N 1 2 287.388 2.379 10 0 CEAELO CCc1cccc(C)c1NC(=O)c1cccc(NN)[nH+]1 ZINC000051089127 524065824 /nfs/dbraw/zinc/06/58/24/524065824.db2.gz PCRDQCFAUKOQMP-UHFFFAOYSA-N 1 2 270.336 2.490 10 0 CEAELO C[C@H](CC[NH+](C)C)n1c(=O)c2ccsc2[nH]c1=S ZINC000049559347 524171697 /nfs/dbraw/zinc/17/16/97/524171697.db2.gz OEYBAIITDIPFHI-MRVPVSSYSA-N 1 2 283.422 2.259 10 0 CEAELO Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1N ZINC000061700745 524965546 /nfs/dbraw/zinc/96/55/46/524965546.db2.gz HRCGVCOQRSCHFL-UHFFFAOYSA-N 1 2 268.364 2.299 10 0 CEAELO Cc1cc(N)nc(-c2ccc3c(c2)OCCCO3)[nH+]1 ZINC000050866402 525041412 /nfs/dbraw/zinc/04/14/12/525041412.db2.gz YUTQUCCTRJHPFS-UHFFFAOYSA-N 1 2 257.293 2.196 10 0 CEAELO C[C@@H]1COCC[N@@H+]1Cc1cc2ccccc2nc1N ZINC000050813573 525127884 /nfs/dbraw/zinc/12/78/84/525127884.db2.gz NJKCJRUYRBJQEQ-LLVKDONJSA-N 1 2 257.337 2.038 10 0 CEAELO C[C@@H]1COCC[N@H+]1Cc1cc2ccccc2nc1N ZINC000050813573 525127890 /nfs/dbraw/zinc/12/78/90/525127890.db2.gz NJKCJRUYRBJQEQ-LLVKDONJSA-N 1 2 257.337 2.038 10 0 CEAELO C[C@@]([NH3+])(c1nc(C[C@H]2CCCO2)no1)c1ccccc1 ZINC000052879358 525751131 /nfs/dbraw/zinc/75/11/31/525751131.db2.gz WXDCVUIUTHERII-DOMZBBRYSA-N 1 2 273.336 2.013 10 0 CEAELO Cc1ccc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000155908771 525908973 /nfs/dbraw/zinc/90/89/73/525908973.db2.gz ZTXKYWYRRDPXNG-RYUDHWBXSA-N 1 2 273.336 2.224 10 0 CEAELO C[C@H]([C@@H]1CCCO1)n1c2ccc(N)cc2[nH+]c1[C@H](C)O ZINC000053736378 526023301 /nfs/dbraw/zinc/02/33/01/526023301.db2.gz BUDMZGSFFKAOOD-BFVZDQMLSA-N 1 2 275.352 2.412 10 0 CEAELO COc1cccc(OC)c1OCc1ccc[nH+]c1N ZINC000052734263 526224031 /nfs/dbraw/zinc/22/40/31/526224031.db2.gz HRWVTYFQQKRLLE-UHFFFAOYSA-N 1 2 260.293 2.260 10 0 CEAELO Cc1[nH]c(CNc2ccc(C(=O)N(C)C)cc2)c[nH+]1 ZINC000054821750 526898488 /nfs/dbraw/zinc/89/84/88/526898488.db2.gz LHNMXZDTAMWFAO-UHFFFAOYSA-N 1 2 258.325 2.032 10 0 CEAELO Cc1[nH]cc(CNc2ccc(C(=O)N(C)C)cc2)[nH+]1 ZINC000054821750 526898491 /nfs/dbraw/zinc/89/84/91/526898491.db2.gz LHNMXZDTAMWFAO-UHFFFAOYSA-N 1 2 258.325 2.032 10 0 CEAELO Cc1[nH]c2ccc(NC(=O)c3sc(N)nc3C)cc2[nH+]1 ZINC000055172722 527148051 /nfs/dbraw/zinc/14/80/51/527148051.db2.gz VZZIZBRJONAOQQ-UHFFFAOYSA-N 1 2 287.348 2.471 10 0 CEAELO Cc1[nH]c2cc(NC(=O)c3sc(N)nc3C)ccc2[nH+]1 ZINC000055172722 527148058 /nfs/dbraw/zinc/14/80/58/527148058.db2.gz VZZIZBRJONAOQQ-UHFFFAOYSA-N 1 2 287.348 2.471 10 0 CEAELO Nc1cc(CN2C(=O)COc3ccc(Cl)cc32)cc[nH+]1 ZINC000052733251 527448866 /nfs/dbraw/zinc/44/88/66/527448866.db2.gz YXXFDDCKJOQOGB-UHFFFAOYSA-N 1 2 289.722 2.243 10 0 CEAELO Nc1cc(F)ccc1C(=O)N[C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000062823120 527455249 /nfs/dbraw/zinc/45/52/49/527455249.db2.gz AEBGTDVLKLGANE-KBPBESRZSA-N 1 2 288.326 2.128 10 0 CEAELO CCn1cc([C@@H]2C[N@H+](Cc3ccc(C)o3)CCO2)cn1 ZINC000191704433 536091519 /nfs/dbraw/zinc/09/15/19/536091519.db2.gz LGCXEPJYRRIWCF-HNNXBMFYSA-N 1 2 275.352 2.378 10 0 CEAELO CCn1cc([C@@H]2C[N@@H+](Cc3ccc(C)o3)CCO2)cn1 ZINC000191704433 536091523 /nfs/dbraw/zinc/09/15/23/536091523.db2.gz LGCXEPJYRRIWCF-HNNXBMFYSA-N 1 2 275.352 2.378 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(Cc2ncc(C)o2)C1 ZINC000888102814 628870907 /nfs/dbraw/zinc/87/09/07/628870907.db2.gz OFSBDOYIRVQVBQ-OLZOCXBDSA-N 1 2 290.367 2.285 10 0 CEAELO O=C(N[C@@H]1CCCOc2ccccc21)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263113661 631324253 /nfs/dbraw/zinc/32/42/53/631324253.db2.gz ALUKDNFTPMSDMA-VXGBXAGGSA-N 1 2 296.317 2.014 10 0 CEAELO C[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc(O)c1 ZINC000827763868 636415559 /nfs/dbraw/zinc/41/55/59/636415559.db2.gz COBJCCMBHYBMKS-UKRRQHHQSA-N 1 2 299.374 2.383 10 0 CEAELO CN(C)c1cc(OC2CC2)c(Br)c[nH+]1 ZINC000095713483 185019380 /nfs/dbraw/zinc/01/93/80/185019380.db2.gz TZGCOGNKBFASEB-UHFFFAOYSA-N 1 2 257.131 2.451 10 0 CEAELO Cn1ccnc1[C@H]([NH3+])c1sccc1Br ZINC000082614368 178126794 /nfs/dbraw/zinc/12/67/94/178126794.db2.gz XKLICIPWKUWARB-SSDOTTSWSA-N 1 2 272.171 2.292 10 0 CEAELO CCNc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000033542812 361782581 /nfs/dbraw/zinc/78/25/81/361782581.db2.gz QPJFVARMBXJIMK-UHFFFAOYSA-N 1 2 253.309 2.306 10 0 CEAELO [NH3+][C@@H](c1noc(C(F)(F)F)n1)c1cc(F)ccc1F ZINC000036764897 361856003 /nfs/dbraw/zinc/85/60/03/361856003.db2.gz VABXQTDZGZRFFB-SSDOTTSWSA-N 1 2 279.168 2.415 10 0 CEAELO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CCO1 ZINC000045752246 362166903 /nfs/dbraw/zinc/16/69/03/362166903.db2.gz INTZBFHKVLISOX-OFQRWUPVSA-N 1 2 290.407 2.363 10 0 CEAELO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CCO1 ZINC000045752246 362166906 /nfs/dbraw/zinc/16/69/06/362166906.db2.gz INTZBFHKVLISOX-OFQRWUPVSA-N 1 2 290.407 2.363 10 0 CEAELO C[NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000039044505 343435298 /nfs/dbraw/zinc/43/52/98/343435298.db2.gz WRZIIBDIHKXOHU-JTQLQIEISA-N 1 2 273.373 2.038 10 0 CEAELO CCN(C(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000052856627 343566822 /nfs/dbraw/zinc/56/68/22/343566822.db2.gz AXIUEMIGWFHUPF-ZIAGYGMSSA-N 1 2 276.380 2.149 10 0 CEAELO [NH3+][C@@H](c1nnc(-c2ccc(F)cn2)o1)c1ccccc1 ZINC000083516726 178549302 /nfs/dbraw/zinc/54/93/02/178549302.db2.gz PGVFGCPFFYQVBW-GFCCVEGCSA-N 1 2 270.267 2.319 10 0 CEAELO Cc1ccc(N)cc1-c1ccc(C[NH+]2CCOCC2)cn1 ZINC000167658924 344478918 /nfs/dbraw/zinc/47/89/18/344478918.db2.gz LIJGBNHLDAATQY-UHFFFAOYSA-N 1 2 283.375 2.471 10 0 CEAELO CC[C@H]([NH3+])c1nc2cncc(Br)c2[nH]1 ZINC000307160618 344720524 /nfs/dbraw/zinc/72/05/24/344720524.db2.gz DVSNZJYUYMDONI-LURJTMIESA-N 1 2 255.119 2.130 10 0 CEAELO Cc1occc1C(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000328641496 344757202 /nfs/dbraw/zinc/75/72/02/344757202.db2.gz XZJGBACGYRNPGV-LBPRGKRZSA-N 1 2 273.336 2.119 10 0 CEAELO CCc1nnsc1[C@H]([NH3+])c1c(Cl)cnn1CC ZINC000097420443 185600009 /nfs/dbraw/zinc/60/00/09/185600009.db2.gz GVUCPSSAUDYWKL-MRVPVSSYSA-N 1 2 271.777 2.018 10 0 CEAELO CC(C)Cc1cccc([C@H](NN)c2c[nH+]cn2C)c1 ZINC000097640802 185642537 /nfs/dbraw/zinc/64/25/37/185642537.db2.gz BJFUGFGFHYGEOJ-HNNXBMFYSA-N 1 2 258.369 2.171 10 0 CEAELO Cc1ncccc1[C@@H](Cc1[nH+]c2ccccc2n1C)NN ZINC000097760180 185662891 /nfs/dbraw/zinc/66/28/91/185662891.db2.gz FXWHUHLWCFASPV-CQSZACIVSA-N 1 2 281.363 2.024 10 0 CEAELO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccnc(C)c1 ZINC000598618240 346384673 /nfs/dbraw/zinc/38/46/73/346384673.db2.gz MNUOPYGZWQHZLA-CQSZACIVSA-N 1 2 264.369 2.410 10 0 CEAELO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccnc(C)c1 ZINC000598618240 346384677 /nfs/dbraw/zinc/38/46/77/346384677.db2.gz MNUOPYGZWQHZLA-CQSZACIVSA-N 1 2 264.369 2.410 10 0 CEAELO COCCCc1nc(N)c(Br)c(C2CC2)[nH+]1 ZINC000085462733 179069537 /nfs/dbraw/zinc/06/95/37/179069537.db2.gz FHQMSOQWSZBCPT-UHFFFAOYSA-N 1 2 286.173 2.278 10 0 CEAELO CC[NH2+][C@@H](CCOc1cc(C)ccc1F)C(=O)OCC ZINC000085561120 179094651 /nfs/dbraw/zinc/09/46/51/179094651.db2.gz YDNMKIRXBLOMOQ-ZDUSSCGKSA-N 1 2 283.343 2.444 10 0 CEAELO Cc1ccc(N)c(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000036245131 136544784 /nfs/dbraw/zinc/54/47/84/136544784.db2.gz DNQFPSJOENWVNY-UHFFFAOYSA-N 1 2 292.383 2.029 10 0 CEAELO [NH3+]c1ccc2c(c1)CCCN2CC(=O)NC1CCCC1 ZINC000019875219 136579462 /nfs/dbraw/zinc/57/94/62/136579462.db2.gz IDRFSKKOFUURLV-UHFFFAOYSA-N 1 2 273.380 2.080 10 0 CEAELO CCc1[nH+]c(-c2ccc(OC)c(Cl)c2)c(N)n1N ZINC000086584328 179309475 /nfs/dbraw/zinc/30/94/75/179309475.db2.gz ACRPGKXOLLOSBI-UHFFFAOYSA-N 1 2 266.732 2.071 10 0 CEAELO COC[C@@H](Nc1[nH+]c2c(cc1C(N)=S)CCC2)C(C)C ZINC000086701676 179321628 /nfs/dbraw/zinc/32/16/28/179321628.db2.gz VHYOTANXULSUIN-CYBMUJFWSA-N 1 2 293.436 2.287 10 0 CEAELO C[NH+](C)c1ccc(N[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000086672296 179317927 /nfs/dbraw/zinc/31/79/27/179317927.db2.gz HZVXBWPZPWGALM-KBPBESRZSA-N 1 2 282.409 2.130 10 0 CEAELO CCCCC[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000130271285 365939645 /nfs/dbraw/zinc/93/96/45/365939645.db2.gz IHUQQHFOVAKITK-HUUCEWRRSA-N 1 2 284.444 2.286 10 0 CEAELO CCCCC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000130271285 365939649 /nfs/dbraw/zinc/93/96/49/365939649.db2.gz IHUQQHFOVAKITK-HUUCEWRRSA-N 1 2 284.444 2.286 10 0 CEAELO Cc1csc([C@@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000130316605 365944464 /nfs/dbraw/zinc/94/44/64/365944464.db2.gz DACVVFMKXPXNLH-ZDUSSCGKSA-N 1 2 275.377 2.420 10 0 CEAELO Cc1csc([C@@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000130316605 365944466 /nfs/dbraw/zinc/94/44/66/365944466.db2.gz DACVVFMKXPXNLH-ZDUSSCGKSA-N 1 2 275.377 2.420 10 0 CEAELO CCN[C@@H](c1[nH]cc[nH+]1)c1occc1Br ZINC000087341862 179414604 /nfs/dbraw/zinc/41/46/04/179414604.db2.gz CVMIWKKPWRXGSG-MRVPVSSYSA-N 1 2 270.130 2.464 10 0 CEAELO CNc1nc(NCC2CC2)c(Br)c[nH+]1 ZINC000087807608 179489460 /nfs/dbraw/zinc/48/94/60/179489460.db2.gz HVGLQVKYJNBSTI-UHFFFAOYSA-N 1 2 257.135 2.103 10 0 CEAELO CCOC(=O)N1CCC[C@H](c2ccc[nH+]c2N)CC1 ZINC000616626775 348539514 /nfs/dbraw/zinc/53/95/14/348539514.db2.gz BCLZLSBNSGOZEC-NSHDSACASA-N 1 2 263.341 2.390 10 0 CEAELO COC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000616633397 348541946 /nfs/dbraw/zinc/54/19/46/348541946.db2.gz UVZDYIFKMHIFNU-LLVKDONJSA-N 1 2 254.717 2.053 10 0 CEAELO Nc1ncccc1[C@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000616640513 348544213 /nfs/dbraw/zinc/54/42/13/348544213.db2.gz WHEJNJDQFKDSFC-OAHLLOKOSA-N 1 2 269.348 2.237 10 0 CEAELO Nc1ncccc1[C@H]1COCC[N@H+]1Cc1ccccc1 ZINC000616640513 348544218 /nfs/dbraw/zinc/54/42/18/348544218.db2.gz WHEJNJDQFKDSFC-OAHLLOKOSA-N 1 2 269.348 2.237 10 0 CEAELO c1ncc([C@H]2COCCC[N@H+]2Cc2ccccc2)[nH]1 ZINC000616648914 348546823 /nfs/dbraw/zinc/54/68/23/348546823.db2.gz YMPQEQCBOKVNIO-OAHLLOKOSA-N 1 2 257.337 2.373 10 0 CEAELO c1ncc([C@H]2COCCC[N@@H+]2Cc2ccccc2)[nH]1 ZINC000616648914 348546826 /nfs/dbraw/zinc/54/68/26/348546826.db2.gz YMPQEQCBOKVNIO-OAHLLOKOSA-N 1 2 257.337 2.373 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1c1c[nH]cn1 ZINC000616609466 348533404 /nfs/dbraw/zinc/53/34/04/348533404.db2.gz BLXJDFYVHHOBBX-LBPRGKRZSA-N 1 2 280.372 2.071 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1c1c[nH]cn1 ZINC000616609466 348533408 /nfs/dbraw/zinc/53/34/08/348533408.db2.gz BLXJDFYVHHOBBX-LBPRGKRZSA-N 1 2 280.372 2.071 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1c1cnc[nH]1 ZINC000616609466 348533412 /nfs/dbraw/zinc/53/34/12/348533412.db2.gz BLXJDFYVHHOBBX-LBPRGKRZSA-N 1 2 280.372 2.071 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1c1cnc[nH]1 ZINC000616609466 348533415 /nfs/dbraw/zinc/53/34/15/348533415.db2.gz BLXJDFYVHHOBBX-LBPRGKRZSA-N 1 2 280.372 2.071 10 0 CEAELO OCCN1CC[C@H](Nc2cccc[nH+]2)c2ccccc21 ZINC000616675670 348557451 /nfs/dbraw/zinc/55/74/51/348557451.db2.gz NYBGAUJIJUHXTH-AWEZNQCLSA-N 1 2 269.348 2.437 10 0 CEAELO COC(=O)c1cc(NCc2cccc3c2OCO3)cc[nH+]1 ZINC000090737481 180034042 /nfs/dbraw/zinc/03/40/42/180034042.db2.gz PONQYNVVRDZRJD-UHFFFAOYSA-N 1 2 286.287 2.209 10 0 CEAELO COC(=O)c1cc(N[C@]2(CO)CCC[C@H](C)C2)cc[nH+]1 ZINC000090738046 180034378 /nfs/dbraw/zinc/03/43/78/180034378.db2.gz IVORMUWKAHQWRV-XHDPSFHLSA-N 1 2 278.352 2.221 10 0 CEAELO COC(=O)c1cc(NC[C@@H]2CCCC[C@@H]2CO)cc[nH+]1 ZINC000090738632 180034947 /nfs/dbraw/zinc/03/49/47/180034947.db2.gz LWQVAYDFUWLXCT-NWDGAFQWSA-N 1 2 278.352 2.079 10 0 CEAELO CCOC(=O)C[N@H+](C[C@@H]1Cc2ccccc2O1)C(C)C ZINC000090876770 180051727 /nfs/dbraw/zinc/05/17/27/180051727.db2.gz KIEXAJBUFMRKHG-AWEZNQCLSA-N 1 2 277.364 2.264 10 0 CEAELO CCOC(=O)C[N@@H+](C[C@@H]1Cc2ccccc2O1)C(C)C ZINC000090876770 180051729 /nfs/dbraw/zinc/05/17/29/180051729.db2.gz KIEXAJBUFMRKHG-AWEZNQCLSA-N 1 2 277.364 2.264 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892547 180054324 /nfs/dbraw/zinc/05/43/24/180054324.db2.gz RFXYHTKMTIZMPK-KGLIPLIRSA-N 1 2 295.354 2.307 10 0 CEAELO COC(=O)[C@@H]([NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1)C(C)C ZINC000090899701 180058011 /nfs/dbraw/zinc/05/80/11/180058011.db2.gz SSXKAOTTXRIIIC-JSGCOSHPSA-N 1 2 297.782 2.431 10 0 CEAELO CC(=O)Nc1ccsc1C[NH2+]Cc1cc(C)on1 ZINC000090960520 180075635 /nfs/dbraw/zinc/07/56/35/180075635.db2.gz CWAHIUNZSFPJAV-UHFFFAOYSA-N 1 2 265.338 2.293 10 0 CEAELO CCOC(=O)[C@@H](NCC(F)(F)F)c1c[nH+]cn1C(C)C ZINC000091272842 180117846 /nfs/dbraw/zinc/11/78/46/180117846.db2.gz ABWDRSGPGCMTDW-JTQLQIEISA-N 1 2 293.289 2.220 10 0 CEAELO CCOC(=O)[C@H](C(C)C)[C@@H](O)c1c[nH+]cn1C(C)C ZINC000091273918 180118586 /nfs/dbraw/zinc/11/85/86/180118586.db2.gz JYIKQIBYBFXEPS-OLZOCXBDSA-N 1 2 268.357 2.333 10 0 CEAELO Cc1ccc(N[C@@H](C(N)=O)c2c[nH+]cn2C2CC2)cc1 ZINC000091276739 180120352 /nfs/dbraw/zinc/12/03/52/180120352.db2.gz GTZHSWRXLQBGKA-CQSZACIVSA-N 1 2 270.336 2.165 10 0 CEAELO OCC1C[NH+](Cc2csc(-c3ccsc3)n2)C1 ZINC000091465846 180164032 /nfs/dbraw/zinc/16/40/32/180164032.db2.gz MCSSYQRTSGNEDG-UHFFFAOYSA-N 1 2 266.391 2.296 10 0 CEAELO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000091501218 180174808 /nfs/dbraw/zinc/17/48/08/180174808.db2.gz QGBBNPQARAUGDT-ZDUSSCGKSA-N 1 2 287.407 2.376 10 0 CEAELO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1Cc2ccc(N)cc2C1 ZINC000091501218 180174809 /nfs/dbraw/zinc/17/48/09/180174809.db2.gz QGBBNPQARAUGDT-ZDUSSCGKSA-N 1 2 287.407 2.376 10 0 CEAELO COC(=O)c1ccc([C@@H](C)[N@@H+]2CCOCC2(C)C)o1 ZINC000091781085 180254097 /nfs/dbraw/zinc/25/40/97/180254097.db2.gz XFXYLCXBQAXHPM-SNVBAGLBSA-N 1 2 267.325 2.238 10 0 CEAELO COC(=O)c1ccc([C@@H](C)[N@H+]2CCOCC2(C)C)o1 ZINC000091781085 180254100 /nfs/dbraw/zinc/25/41/00/180254100.db2.gz XFXYLCXBQAXHPM-SNVBAGLBSA-N 1 2 267.325 2.238 10 0 CEAELO CC(C)c1nc(C[N@H+](C)C2CCC(=O)CC2)no1 ZINC000091853829 180273696 /nfs/dbraw/zinc/27/36/96/180273696.db2.gz ANEBRCCNSSBFLV-UHFFFAOYSA-N 1 2 251.330 2.137 10 0 CEAELO CC(C)c1nc(C[N@@H+](C)C2CCC(=O)CC2)no1 ZINC000091853829 180273697 /nfs/dbraw/zinc/27/36/97/180273697.db2.gz ANEBRCCNSSBFLV-UHFFFAOYSA-N 1 2 251.330 2.137 10 0 CEAELO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300425 180358560 /nfs/dbraw/zinc/35/85/60/180358560.db2.gz UQAPIWAFMQEWAY-GXTWGEPZSA-N 1 2 277.364 2.340 10 0 CEAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)c2c(C)noc2C)c1N ZINC000092341713 180365738 /nfs/dbraw/zinc/36/57/38/180365738.db2.gz SBCKOKAPDSSCGI-QMMMGPOBSA-N 1 2 292.339 2.165 10 0 CEAELO COc1ccccc1N(C)Cc1cc(NN)cc[nH+]1 ZINC000092421097 180382518 /nfs/dbraw/zinc/38/25/18/180382518.db2.gz QRVIVCCXTMHVOD-UHFFFAOYSA-N 1 2 258.325 2.012 10 0 CEAELO CCC[C@H]1CCC(=O)N(Cc2cc(NN)cc[nH+]2)CC1 ZINC000092425537 180382921 /nfs/dbraw/zinc/38/29/21/180382921.db2.gz XBMJXRCFPFXBKM-LBPRGKRZSA-N 1 2 276.384 2.296 10 0 CEAELO CC[C@@H](C)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000110942659 186334977 /nfs/dbraw/zinc/33/49/77/186334977.db2.gz IRZPJZNUJIQQFW-LLVKDONJSA-N 1 2 281.425 2.142 10 0 CEAELO Cc1cccc(N)c1S(=O)(=O)Nc1cc[nH+]cc1C ZINC000111043120 186347432 /nfs/dbraw/zinc/34/74/32/186347432.db2.gz VBOSBLKLCHUQTO-UHFFFAOYSA-N 1 2 277.349 2.081 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)c1n[nH]c2ccc(N)cc21 ZINC000111042962 186347460 /nfs/dbraw/zinc/34/74/60/186347460.db2.gz OKIMZRVHIYENNE-UHFFFAOYSA-N 1 2 267.292 2.101 10 0 CEAELO C[NH+](C)CCC[N@H+](C)Cc1sccc1/C=C/C(=O)[O-] ZINC000111142365 186359420 /nfs/dbraw/zinc/35/94/20/186359420.db2.gz IBFUGNRMUDDGIP-AATRIKPKSA-N 1 2 282.409 2.229 10 0 CEAELO C[NH+](C)CCC[N@@H+](C)Cc1sccc1/C=C/C(=O)[O-] ZINC000111142365 186359422 /nfs/dbraw/zinc/35/94/22/186359422.db2.gz IBFUGNRMUDDGIP-AATRIKPKSA-N 1 2 282.409 2.229 10 0 CEAELO CC(C)[NH2+]Cc1noc([C@H]2CCOc3ccccc32)n1 ZINC000111189419 186367550 /nfs/dbraw/zinc/36/75/50/186367550.db2.gz JKOCMXLPHFDJSM-LBPRGKRZSA-N 1 2 273.336 2.482 10 0 CEAELO Cc1cc([NH2+]C[C@H]2CCCOC2)ccc1NS(C)(=O)=O ZINC000111319759 186397879 /nfs/dbraw/zinc/39/78/79/186397879.db2.gz PJTMZFVIWFLDEV-GFCCVEGCSA-N 1 2 298.408 2.205 10 0 CEAELO CCn1cc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cn1 ZINC000131011342 366012499 /nfs/dbraw/zinc/01/24/99/366012499.db2.gz TVUGYDNBKVYSJH-VXGBXAGGSA-N 1 2 288.399 2.243 10 0 CEAELO CCn1cc[nH+]c1CNc1cc(OC)ccc1NC(C)=O ZINC000124198096 187126091 /nfs/dbraw/zinc/12/60/91/187126091.db2.gz GDSOFBJSPVHBSX-UHFFFAOYSA-N 1 2 288.351 2.482 10 0 CEAELO CC(C)n1cc[nH+]c1CNc1ccccc1C(N)=O ZINC000123753380 187107387 /nfs/dbraw/zinc/10/73/87/187107387.db2.gz LEOXWSOHWPUALH-UHFFFAOYSA-N 1 2 258.325 2.175 10 0 CEAELO CC[C@H](C)OCC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000132327594 366135796 /nfs/dbraw/zinc/13/57/96/366135796.db2.gz JLFQJOFKUXEUJC-LBPRGKRZSA-N 1 2 293.411 2.243 10 0 CEAELO CNc1nc(N[C@@H](C)CSC)[nH+]cc1Br ZINC000132831591 366172828 /nfs/dbraw/zinc/17/28/28/366172828.db2.gz DMWBZADDZISTLO-LURJTMIESA-N 1 2 291.218 2.444 10 0 CEAELO CC[C@@H]1C[N@H+](Cc2nnc(C3CC3)n2C)CCS1 ZINC000076071947 363516392 /nfs/dbraw/zinc/51/63/92/363516392.db2.gz GDUOEZJEAWXJJR-LLVKDONJSA-N 1 2 266.414 2.020 10 0 CEAELO CC[C@@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)CCS1 ZINC000076071947 363516397 /nfs/dbraw/zinc/51/63/97/363516397.db2.gz GDUOEZJEAWXJJR-LLVKDONJSA-N 1 2 266.414 2.020 10 0 CEAELO CO[C@]1(C)C[C@H]([N@H+](C)Cc2nnc(C3CC3)n2C)C1(C)C ZINC000076150822 363526616 /nfs/dbraw/zinc/52/66/16/363526616.db2.gz 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/nfs/dbraw/zinc/39/58/93/202395893.db2.gz KSVKAHQJDZDMFS-VHSXEESVSA-N 1 2 287.310 2.193 10 0 CEAELO CC(F)(F)Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000329579398 202395895 /nfs/dbraw/zinc/39/58/95/202395895.db2.gz KSVKAHQJDZDMFS-VHSXEESVSA-N 1 2 287.310 2.193 10 0 CEAELO O=C(CCc1ccco1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177731989 189065938 /nfs/dbraw/zinc/06/59/38/189065938.db2.gz LWPTVPFOUICRDJ-CYBMUJFWSA-N 1 2 273.336 2.100 10 0 CEAELO C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cccc2[nH+]ccn21 ZINC000180491854 189258282 /nfs/dbraw/zinc/25/82/82/189258282.db2.gz ULLGULJWHGWUJS-LBPRGKRZSA-N 1 2 289.379 2.496 10 0 CEAELO c1ccc(NCc2ccnc(O[C@@H]3CCOC3)c2)[nH+]c1 ZINC000301896379 201252361 /nfs/dbraw/zinc/25/23/61/201252361.db2.gz QJBNPGUHTJDRAV-CYBMUJFWSA-N 1 2 271.320 2.256 10 0 CEAELO Fc1ccc(Cl)cc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000121048647 365517258 /nfs/dbraw/zinc/51/72/58/365517258.db2.gz ZFSORTNBKBLPJF-CQSZACIVSA-N 1 2 298.789 2.386 10 0 CEAELO Cc1cccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)c1Cl ZINC000168596064 367354778 /nfs/dbraw/zinc/35/47/78/367354778.db2.gz PCABXFXNCNJZMV-LBPRGKRZSA-N 1 2 296.798 2.099 10 0 CEAELO CCc1nc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)sc1C ZINC000171690599 367594875 /nfs/dbraw/zinc/59/48/75/367594875.db2.gz BXPLBXBWWDCXFS-VIFPVBQESA-N 1 2 299.465 2.390 10 0 CEAELO CCc1nc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)sc1C ZINC000171690599 367594876 /nfs/dbraw/zinc/59/48/76/367594876.db2.gz BXPLBXBWWDCXFS-VIFPVBQESA-N 1 2 299.465 2.390 10 0 CEAELO Cc1nc([C@@H]2C[N@H+](Cc3cc(C)ccc3C)CCO2)n[nH]1 ZINC000173671832 367932273 /nfs/dbraw/zinc/93/22/73/367932273.db2.gz ZQIIMHOUOQVFLO-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@@H]2C[N@@H+](Cc3cc(C)ccc3C)CCO2)n[nH]1 ZINC000173671832 367932278 /nfs/dbraw/zinc/93/22/78/367932278.db2.gz ZQIIMHOUOQVFLO-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO C[C@H](NS(=O)(=O)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173968130 367967368 /nfs/dbraw/zinc/96/73/68/367967368.db2.gz CXFBXPWJZSXMRB-NSHDSACASA-N 1 2 291.376 2.015 10 0 CEAELO CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(Cl)c1O ZINC000176375594 368230841 /nfs/dbraw/zinc/23/08/41/368230841.db2.gz RNPVJDPZDRQOSI-UHFFFAOYSA-N 1 2 291.178 2.333 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1ccccc1 ZINC000176423222 368237954 /nfs/dbraw/zinc/23/79/54/368237954.db2.gz HJLQNHNXZHJDPA-OCCSQVGLSA-N 1 2 279.380 2.382 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000176423222 368237957 /nfs/dbraw/zinc/23/79/57/368237957.db2.gz HJLQNHNXZHJDPA-OCCSQVGLSA-N 1 2 279.380 2.382 10 0 CEAELO Cc1[nH]ccc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000176476015 368242556 /nfs/dbraw/zinc/24/25/56/368242556.db2.gz ZNFRXGHVJWAQAP-UHFFFAOYSA-N 1 2 286.379 2.379 10 0 CEAELO CC(C)COC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000181462085 368456855 /nfs/dbraw/zinc/45/68/55/368456855.db2.gz LGZXTKQYOLWTKD-AWEZNQCLSA-N 1 2 291.395 2.015 10 0 CEAELO CC(C)COC(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000181462085 368456859 /nfs/dbraw/zinc/45/68/59/368456859.db2.gz LGZXTKQYOLWTKD-AWEZNQCLSA-N 1 2 291.395 2.015 10 0 CEAELO CCN(C(=O)C[NH+]1[C@@H](C)COC[C@@H]1C)C1CCCCC1 ZINC000077370902 284155022 /nfs/dbraw/zinc/15/50/22/284155022.db2.gz QXUOFFWKWUVLHI-KBPBESRZSA-N 1 2 282.428 2.277 10 0 CEAELO Cc1ccc(C[N@@H+](C)Cc2nnnn2C(C)C)cc1 ZINC000195016953 370095824 /nfs/dbraw/zinc/09/58/24/370095824.db2.gz JEZUQGZPXKHZTE-UHFFFAOYSA-N 1 2 259.357 2.194 10 0 CEAELO Cc1ccc(C[N@H+](C)Cc2nnnn2C(C)C)cc1 ZINC000195016953 370095827 /nfs/dbraw/zinc/09/58/27/370095827.db2.gz JEZUQGZPXKHZTE-UHFFFAOYSA-N 1 2 259.357 2.194 10 0 CEAELO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCCC2)o1 ZINC000231742141 370492225 /nfs/dbraw/zinc/49/22/25/370492225.db2.gz XXJFAECWEUSVMK-NWDGAFQWSA-N 1 2 265.357 2.035 10 0 CEAELO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247445278 371109033 /nfs/dbraw/zinc/10/90/33/371109033.db2.gz PTUGQZQZUFGCKM-VNQPRFMTSA-N 1 2 294.439 2.040 10 0 CEAELO CCc1csc([C@H]2CCC[N@@H+]([C@H]3CCOC3=O)C2)n1 ZINC000249853798 371366882 /nfs/dbraw/zinc/36/68/82/371366882.db2.gz 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ZINC000195171085 542364819 /nfs/dbraw/zinc/36/48/19/542364819.db2.gz FLNSBYQSBUKYFM-UHFFFAOYSA-N 1 2 296.256 2.100 10 0 CEAELO Cc1csc(C[C@@H](O)Cc2[nH+]c3ccccc3n2C)n1 ZINC000094170190 184759432 /nfs/dbraw/zinc/75/94/32/184759432.db2.gz SJYADWRMPNORIS-NSHDSACASA-N 1 2 287.388 2.484 10 0 CEAELO COC(=O)[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000094267026 184773239 /nfs/dbraw/zinc/77/32/39/184773239.db2.gz OETNFNMPUWJWFH-MRVPVSSYSA-N 1 2 274.242 2.100 10 0 CEAELO Cc1ccc([C@@H]2C[S@](=O)CC(C)(C)[NH2+]2)cc1F ZINC000094841748 184878396 /nfs/dbraw/zinc/87/83/96/184878396.db2.gz BEUDLROPMHGCNX-YVEFUNNKSA-N 1 2 255.358 2.306 10 0 CEAELO CC[C@@](C)(O)CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000246673433 131096387 /nfs/dbraw/zinc/09/63/87/131096387.db2.gz USYFGHBPNUVLTQ-IUODEOHRSA-N 1 2 278.400 2.286 10 0 CEAELO CC[C@@](C)(O)CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000246673433 131096389 /nfs/dbraw/zinc/09/63/89/131096389.db2.gz USYFGHBPNUVLTQ-IUODEOHRSA-N 1 2 278.400 2.286 10 0 CEAELO Nc1nc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)nc2ccccc12 ZINC000248384221 394538945 /nfs/dbraw/zinc/53/89/45/394538945.db2.gz DDHYEQNTZGGVHT-HUUCEWRRSA-N 1 2 298.390 2.355 10 0 CEAELO Nc1nc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)nc2ccccc12 ZINC000248384221 394538947 /nfs/dbraw/zinc/53/89/47/394538947.db2.gz DDHYEQNTZGGVHT-HUUCEWRRSA-N 1 2 298.390 2.355 10 0 CEAELO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3C[C@@H]3C)cn2c1 ZINC000076023737 394614585 /nfs/dbraw/zinc/61/45/85/394614585.db2.gz VCZKUBQPAUKBCG-WCQYABFASA-N 1 2 289.404 2.401 10 0 CEAELO COC(=O)C1CCC(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000180184920 395200915 /nfs/dbraw/zinc/20/09/15/395200915.db2.gz BCJVJBIYCBJMPI-UHFFFAOYSA-N 1 2 276.336 2.308 10 0 CEAELO CCc1ccnc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000181514428 395217493 /nfs/dbraw/zinc/21/74/93/395217493.db2.gz XQMCJKNSDFBMOQ-CQSZACIVSA-N 1 2 284.363 2.145 10 0 CEAELO CCOC(=O)Cc1c[nH+]cc(C)c1OC(F)(F)F ZINC000575375181 395661648 /nfs/dbraw/zinc/66/16/48/395661648.db2.gz VDUFDZHWKRFEIR-UHFFFAOYSA-N 1 2 263.215 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DVFFABIBJRQKCK-NSHDSACASA-N 1 2 282.409 2.448 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C)o1 ZINC000230643478 153394486 /nfs/dbraw/zinc/39/44/86/153394486.db2.gz VKKICSYSBBLXBS-VXGBXAGGSA-N 1 2 267.373 2.184 10 0 CEAELO Cc1ccc(C[NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)o1 ZINC000263533661 154116229 /nfs/dbraw/zinc/11/62/29/154116229.db2.gz XYVHRPKNHCTKIM-UHFFFAOYSA-N 1 2 292.379 2.005 10 0 CEAELO Cc1ccc(C[NH2+]C2CC([N@H+](CC(=O)[O-])CC3CC3)C2)o1 ZINC000263533661 154116233 /nfs/dbraw/zinc/11/62/33/154116233.db2.gz XYVHRPKNHCTKIM-UHFFFAOYSA-N 1 2 292.379 2.005 10 0 CEAELO CO[C@H]1CCC[C@H](Nc2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000301962147 154182925 /nfs/dbraw/zinc/18/29/25/154182925.db2.gz MYFXROHOKPKHJJ-RYUDHWBXSA-N 1 2 293.415 2.431 10 0 CEAELO CO[C@H]1CCC[C@H](Nc2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000301962147 154182929 /nfs/dbraw/zinc/18/29/29/154182929.db2.gz MYFXROHOKPKHJJ-RYUDHWBXSA-N 1 2 293.415 2.431 10 0 CEAELO CNC(=O)[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000161692472 162331070 /nfs/dbraw/zinc/33/10/70/162331070.db2.gz BZQXQIDVKRGIDA-RYUDHWBXSA-N 1 2 290.411 2.491 10 0 CEAELO NC(=O)[C@H]([NH2+][C@@H]1COc2ccccc21)c1ccc(F)cc1 ZINC000171121505 162378877 /nfs/dbraw/zinc/37/88/77/162378877.db2.gz FCQFIEHJVCTNHB-UKRRQHHQSA-N 1 2 286.306 2.075 10 0 CEAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000252370419 287004596 /nfs/dbraw/zinc/00/45/96/287004596.db2.gz XVPKGYNNLRBFAQ-ZQDZILKHSA-N 1 2 282.428 2.275 10 0 CEAELO Cc1nc([C@@H]2C[N@H+](CC3CCCCCC3)CCO2)n[nH]1 ZINC000180105144 165295284 /nfs/dbraw/zinc/29/52/84/165295284.db2.gz ONCKKNYJGRIMKA-AWEZNQCLSA-N 1 2 278.400 2.457 10 0 CEAELO Cc1nc([C@@H]2C[N@@H+](CC3CCCCCC3)CCO2)n[nH]1 ZINC000180105144 165295286 /nfs/dbraw/zinc/29/52/86/165295286.db2.gz ONCKKNYJGRIMKA-AWEZNQCLSA-N 1 2 278.400 2.457 10 0 CEAELO Cc1nnc([C@@H]2C[N@H+](Cc3ccc(F)cc3C)CCO2)[nH]1 ZINC000180112590 165296532 /nfs/dbraw/zinc/29/65/32/165296532.db2.gz QGDIHMPHXFRIBK-AWEZNQCLSA-N 1 2 290.342 2.134 10 0 CEAELO Cc1nnc([C@@H]2C[N@@H+](Cc3ccc(F)cc3C)CCO2)[nH]1 ZINC000180112590 165296537 /nfs/dbraw/zinc/29/65/37/165296537.db2.gz QGDIHMPHXFRIBK-AWEZNQCLSA-N 1 2 290.342 2.134 10 0 CEAELO C[C@H](C(=O)Nc1ccc(N)cc1Cl)[NH+]1CCSCC1 ZINC000020256946 171111724 /nfs/dbraw/zinc/11/17/24/171111724.db2.gz BHWDQVFYNCMLIL-SECBINFHSA-N 1 2 299.827 2.298 10 0 CEAELO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3)n2)c1 ZINC000020464484 171209502 /nfs/dbraw/zinc/20/95/02/171209502.db2.gz DNUQZCYYQSBKBM-LBPRGKRZSA-N 1 2 281.319 2.155 10 0 CEAELO C[C@@H](Oc1ccc[nH+]c1N)C(=O)Nc1ccccc1 ZINC000020483634 171223712 /nfs/dbraw/zinc/22/37/12/171223712.db2.gz BTGWWNFTEWGZHW-SNVBAGLBSA-N 1 2 257.293 2.070 10 0 CEAELO Nc1cc(C(F)(F)F)ccc1NC(=O)Cn1cc[nH+]c1 ZINC000022165759 171365686 /nfs/dbraw/zinc/36/56/86/171365686.db2.gz GVJXMMPXJGAEFN-UHFFFAOYSA-N 1 2 284.241 2.123 10 0 CEAELO Cc1noc(C)c1C[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000035229416 172070030 /nfs/dbraw/zinc/07/00/30/172070030.db2.gz BRJLTUKQFAJBBE-NSHDSACASA-N 1 2 289.383 2.460 10 0 CEAELO COC(=O)[C@H](C)N[C@H](C)c1c(C)cc(C)[nH+]c1C ZINC000037303250 173109114 /nfs/dbraw/zinc/10/91/14/173109114.db2.gz VROIKNUFNDCPKN-NEPJUHHUSA-N 1 2 250.342 2.219 10 0 CEAELO CC[NH2+][C@@](CC)(C(=O)OC)c1ccc(OC)cc1 ZINC000037446700 173213624 /nfs/dbraw/zinc/21/36/24/173213624.db2.gz VMAYNXPGYGCFGB-CQSZACIVSA-N 1 2 251.326 2.083 10 0 CEAELO COc1cccc(CNc2[nH+]cccc2C(N)=S)c1 ZINC000038078088 174088267 /nfs/dbraw/zinc/08/82/67/174088267.db2.gz GKOLJQOLAWCINJ-UHFFFAOYSA-N 1 2 273.361 2.337 10 0 CEAELO CCc1ccc(Nc2[nH+]cnc(NCCOC)c2N)cc1 ZINC000040688514 174375802 /nfs/dbraw/zinc/37/58/02/174375802.db2.gz SFMPKTBAVICOEO-UHFFFAOYSA-N 1 2 287.367 2.423 10 0 CEAELO CCc1ccc(Nc2nc[nH+]c(NCCOC)c2N)cc1 ZINC000040688514 174375803 /nfs/dbraw/zinc/37/58/03/174375803.db2.gz SFMPKTBAVICOEO-UHFFFAOYSA-N 1 2 287.367 2.423 10 0 CEAELO CCCCNc1[nH+]cnc(Nc2cccnc2)c1N ZINC000040706519 174379456 /nfs/dbraw/zinc/37/94/56/174379456.db2.gz CTMYXUJDVRUBKZ-UHFFFAOYSA-N 1 2 258.329 2.409 10 0 CEAELO CCNc1[nH+]cnc(Nc2ccccc2C(=O)OC)c1N ZINC000040707337 174379683 /nfs/dbraw/zinc/37/96/83/174379683.db2.gz CKXIDIXUNDPBKJ-UHFFFAOYSA-N 1 2 287.323 2.021 10 0 CEAELO Nc1[nH+]cnc(N(Cc2ccccc2)c2ccccn2)c1N ZINC000040724076 174386542 /nfs/dbraw/zinc/38/65/42/174386542.db2.gz JAPRAIRRBXUZLD-UHFFFAOYSA-N 1 2 292.346 2.374 10 0 CEAELO Cc1ccc(C(N)=O)c(N(C)[C@@H](C)c2cccc(N)c2)[nH+]1 ZINC000043396044 175036048 /nfs/dbraw/zinc/03/60/48/175036048.db2.gz PUFGVSDMWJJRQK-NSHDSACASA-N 1 2 284.363 2.269 10 0 CEAELO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747548 175243079 /nfs/dbraw/zinc/24/30/79/175243079.db2.gz DETAHFHZGUOAOG-YGRLFVJLSA-N 1 2 263.337 2.311 10 0 CEAELO C[C@H](CNc1ccc([NH3+])cc1C(=O)[O-])[NH+]1CCCCC1 ZINC000045015591 175290900 /nfs/dbraw/zinc/29/09/00/175290900.db2.gz MHBLZNHCSRDAJX-LLVKDONJSA-N 1 2 277.368 2.253 10 0 CEAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@H](C)[NH+](C)C ZINC000045108972 175308918 /nfs/dbraw/zinc/30/89/18/175308918.db2.gz CQMSXDMQXGHRFX-JTQLQIEISA-N 1 2 275.352 2.247 10 0 CEAELO CC[NH2+][C@](C)(CCN(C)c1ccccc1)C(=O)OCC ZINC000045227716 175333366 /nfs/dbraw/zinc/33/33/66/175333366.db2.gz FMAXIIMYPAPLBU-MRXNPFEDSA-N 1 2 278.396 2.444 10 0 CEAELO CCOC(=O)[C@@](C)(CN(CC)CC(F)(F)F)[NH2+]C(C)C ZINC000045274082 175344396 /nfs/dbraw/zinc/34/43/96/175344396.db2.gz CUCKJKNQEAQECO-GFCCVEGCSA-N 1 2 298.349 2.190 10 0 CEAELO CCC[NH2+][C@@](C)(CN(CC(F)(F)F)C(C)C)C(=O)OC ZINC000045273924 175344567 /nfs/dbraw/zinc/34/45/67/175344567.db2.gz VDSIGAXLURMFRB-LBPRGKRZSA-N 1 2 298.349 2.190 10 0 CEAELO CCN(C[C@@H]([NH2+]C(C)C)C(=O)OC)c1cccc(C)c1 ZINC000045420024 175378663 /nfs/dbraw/zinc/37/86/63/175378663.db2.gz IEKGKWHZXCKTMX-OAHLLOKOSA-N 1 2 278.396 2.361 10 0 CEAELO CCOC(=O)[C@](C)(CCOc1cc(F)ccc1F)[NH2+]C ZINC000071168547 176049760 /nfs/dbraw/zinc/04/97/60/176049760.db2.gz AGACSAHLDNIWDH-AWEZNQCLSA-N 1 2 287.306 2.275 10 0 CEAELO Cc1noc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000071170272 176050953 /nfs/dbraw/zinc/05/09/53/176050953.db2.gz PUGHIVRYGZTOFJ-UHFFFAOYSA-N 1 2 273.336 2.381 10 0 CEAELO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265918 176099120 /nfs/dbraw/zinc/09/91/20/176099120.db2.gz JMPDJASSLRBHFR-ZWNOBZJWSA-N 1 2 296.411 2.459 10 0 CEAELO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265918 176099121 /nfs/dbraw/zinc/09/91/21/176099121.db2.gz JMPDJASSLRBHFR-ZWNOBZJWSA-N 1 2 296.411 2.459 10 0 CEAELO Cc1ccn2cc(CCNC(=O)CC(C)C)[nH+]c2c1 ZINC000071490251 176190122 /nfs/dbraw/zinc/19/01/22/176190122.db2.gz KTIWTBIVZGQVBC-UHFFFAOYSA-N 1 2 259.353 2.348 10 0 CEAELO Cc1ccn2cc(CC(=O)N3CCCCC3)[nH+]c2c1 ZINC000071552423 176196380 /nfs/dbraw/zinc/19/63/80/176196380.db2.gz LXRWPXQGLOOSHN-UHFFFAOYSA-N 1 2 257.337 2.198 10 0 CEAELO COc1c(N)[nH+]cnc1N[C@H](C)c1cccs1 ZINC000134826442 419437275 /nfs/dbraw/zinc/43/72/75/419437275.db2.gz VSPIVTLJRCCLFJ-SSDOTTSWSA-N 1 2 250.327 2.302 10 0 CEAELO COc1c(N)nc[nH+]c1N[C@H](C)c1cccs1 ZINC000134826442 419437286 /nfs/dbraw/zinc/43/72/86/419437286.db2.gz VSPIVTLJRCCLFJ-SSDOTTSWSA-N 1 2 250.327 2.302 10 0 CEAELO CSC[C@@H](O)C[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000187910507 270256028 /nfs/dbraw/zinc/25/60/28/270256028.db2.gz FOFUMBCLIRADMQ-NSHDSACASA-N 1 2 299.440 2.276 10 0 CEAELO CC(=O)N1N=C2[C@@H]([C@@H]1c1ccccc1)[NH+]1CCC2CC1 ZINC000020026321 278074912 /nfs/dbraw/zinc/07/49/12/278074912.db2.gz CJZPAMDCZNRDRJ-HOTGVXAUSA-N 1 2 269.348 2.040 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H]1CC[C@H](C)O1)C2 ZINC000188577556 278075218 /nfs/dbraw/zinc/07/52/18/278075218.db2.gz JNBCBDYGVAZWFF-STQMWFEESA-N 1 2 277.412 2.469 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@@H]1CC[C@H](C)O1)C2 ZINC000188577556 278075220 /nfs/dbraw/zinc/07/52/20/278075220.db2.gz JNBCBDYGVAZWFF-STQMWFEESA-N 1 2 277.412 2.469 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@@H]1CC[C@H](C)O1)C2 ZINC000188577556 278075221 /nfs/dbraw/zinc/07/52/21/278075221.db2.gz JNBCBDYGVAZWFF-STQMWFEESA-N 1 2 277.412 2.469 10 0 CEAELO C[C@@H]1C[NH+](CC(=O)NCCC2CCCCC2)C[C@@H](C)O1 ZINC000076412162 279676760 /nfs/dbraw/zinc/67/67/60/279676760.db2.gz JZBVYRHNPRLFIX-ZIAGYGMSSA-N 1 2 282.428 2.182 10 0 CEAELO CCC[NH2+][C@@](C[NH+](CCC)CCC)(C(=O)[O-])C1CC1 ZINC000069095590 520052769 /nfs/dbraw/zinc/05/27/69/520052769.db2.gz VCCUKHAQBZXSTE-OAHLLOKOSA-N 1 2 270.417 2.341 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)Sc1cnn(C)c1)C(=O)OCC ZINC000068639964 520141981 /nfs/dbraw/zinc/14/19/81/520141981.db2.gz BNOJCMYZIXZNPS-RISCZKNCSA-N 1 2 299.440 2.222 10 0 CEAELO CC[NH2+][C@H](CCSc1ccc(OC)cc1)C(=O)OC ZINC000062599098 520195076 /nfs/dbraw/zinc/19/50/76/520195076.db2.gz GFZBDGLXDXOMQU-CYBMUJFWSA-N 1 2 283.393 2.329 10 0 CEAELO CCC[C@H](C)[N@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069100186 521035457 /nfs/dbraw/zinc/03/54/57/521035457.db2.gz LDGJMVGHRKTMCT-XHDPSFHLSA-N 1 2 268.401 2.092 10 0 CEAELO CCC[C@H](C)[N@@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069100186 521035468 /nfs/dbraw/zinc/03/54/68/521035468.db2.gz LDGJMVGHRKTMCT-XHDPSFHLSA-N 1 2 268.401 2.092 10 0 CEAELO CCOC(=O)[C@@H](CCN(CC)CC(F)(F)F)[NH2+]C(C)C ZINC000062455082 521056630 /nfs/dbraw/zinc/05/66/30/521056630.db2.gz SQPNQMFDTRQRNQ-LLVKDONJSA-N 1 2 298.349 2.190 10 0 CEAELO CCOC(=O)[C@@H](CCSCC(C)C)[NH2+]C1CC1 ZINC000062596394 521061718 /nfs/dbraw/zinc/06/17/18/521061718.db2.gz JTOOVDCOQNFFCF-GFCCVEGCSA-N 1 2 259.415 2.449 10 0 CEAELO CCOC(=O)[C@](CSc1ccccn1)([NH2+]C)C1CC1 ZINC000069187199 521343603 /nfs/dbraw/zinc/34/36/03/521343603.db2.gz DUSVJRWFLIYUEE-CQSZACIVSA-N 1 2 280.393 2.105 10 0 CEAELO CCC1=NN(c2cc(C)cc(C)c2)C(=O)[C@H]1CC[NH3+] ZINC000069506283 519849143 /nfs/dbraw/zinc/84/91/43/519849143.db2.gz JCJUXAFEHDIMNV-ZDUSSCGKSA-N 1 2 259.353 2.381 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@@](=O)c1cccc(O)c1 ZINC000184038430 520035098 /nfs/dbraw/zinc/03/50/98/520035098.db2.gz ILOWUNPBXFNRME-GOSISDBHSA-N 1 2 264.350 2.477 10 0 CEAELO CCC[NH2+][C@@](C)(CN(C)c1cccc(F)c1)C(=O)OC ZINC000050008376 520036844 /nfs/dbraw/zinc/03/68/44/520036844.db2.gz HZODNSWPJNULJE-HNNXBMFYSA-N 1 2 282.359 2.193 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1cccc(OC)c1)C(=O)OCC ZINC000062528357 520087001 /nfs/dbraw/zinc/08/70/01/520087001.db2.gz LUGGXXTUIGSONI-HNNXBMFYSA-N 1 2 294.395 2.063 10 0 CEAELO CC[NH2+][C@@H](CCSc1nc2ccccc2[nH]1)C(=O)OC ZINC000062598959 520095432 /nfs/dbraw/zinc/09/54/32/520095432.db2.gz NWQMUGCPTJZKIG-LBPRGKRZSA-N 1 2 293.392 2.196 10 0 CEAELO CC[NH2+][C@@H](c1ccc(OC)c(F)c1)c1ncccn1 ZINC000055264061 520110594 /nfs/dbraw/zinc/11/05/94/520110594.db2.gz OWZGIMKFGRDQIS-ZDUSSCGKSA-N 1 2 261.300 2.323 10 0 CEAELO CCCNc1ccc(CSCC(=O)OC)c[nH+]1 ZINC000050838568 520159302 /nfs/dbraw/zinc/15/93/02/520159302.db2.gz BXJKXLMWMJYDJM-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)Nc2cnoc2)c1 ZINC000061685640 520179819 /nfs/dbraw/zinc/17/98/19/520179819.db2.gz JUUHUIUVJWPLRU-SNVBAGLBSA-N 1 2 295.364 2.146 10 0 CEAELO CC[NH2+][C@H](CCOc1ccccc1CC)C(=O)OC ZINC000062594576 520193320 /nfs/dbraw/zinc/19/33/20/520193320.db2.gz UXYCDSOOPZCAQP-CYBMUJFWSA-N 1 2 265.353 2.169 10 0 CEAELO CC[NH2+][C@H](CSc1ccc(F)cc1F)C(=O)OC ZINC000045552139 520200172 /nfs/dbraw/zinc/20/01/72/520200172.db2.gz KXNCHIVMIJKHRF-SNVBAGLBSA-N 1 2 275.320 2.208 10 0 CEAELO CC[NH2+][C@](C)(COc1cccc(F)c1F)C(=O)OCC ZINC000062653626 520233699 /nfs/dbraw/zinc/23/36/99/520233699.db2.gz WNRIJCCCVIZOIJ-CQSZACIVSA-N 1 2 287.306 2.275 10 0 CEAELO CC[NH2+][C@](C[N@H+](C)C1CCCCCC1)(C(=O)[O-])C1CC1 ZINC000069100517 520241870 /nfs/dbraw/zinc/24/18/70/520241870.db2.gz VQQMQIWAGXAFOH-INIZCTEOSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@](C[N@@H+](C)C1CCCCCC1)(C(=O)[O-])C1CC1 ZINC000069100517 520241877 /nfs/dbraw/zinc/24/18/77/520241877.db2.gz VQQMQIWAGXAFOH-INIZCTEOSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@](C[N@H+](C)[C@@H](C)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069140001 520245929 /nfs/dbraw/zinc/24/59/29/520245929.db2.gz IAJBYBMKDJMWOF-WFASDCNBSA-N 1 2 270.417 2.196 10 0 CEAELO CC[NH2+][C@](C[N@@H+](C)[C@@H](C)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069140001 520245937 /nfs/dbraw/zinc/24/59/37/520245937.db2.gz IAJBYBMKDJMWOF-WFASDCNBSA-N 1 2 270.417 2.196 10 0 CEAELO CC[NH2+][C@](C[N@H+]1[C@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096024 520248942 /nfs/dbraw/zinc/24/89/42/520248942.db2.gz HSEMIHQQLQJBRF-ZOWXZIJZSA-N 1 2 268.401 2.092 10 0 CEAELO CC[NH2+][C@](C[N@@H+]1[C@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096024 520248943 /nfs/dbraw/zinc/24/89/43/520248943.db2.gz HSEMIHQQLQJBRF-ZOWXZIJZSA-N 1 2 268.401 2.092 10 0 CEAELO CC[NH2+][C@](CS[C@@H](C)CC)(C(=O)OC)C1CC1 ZINC000069185183 520252800 /nfs/dbraw/zinc/25/28/00/520252800.db2.gz ZVCJRRTXVIIISC-GWCFXTLKSA-N 1 2 259.415 2.449 10 0 CEAELO CC[NH2+][C@](CSCc1ccco1)(C(=O)OC)C1CC1 ZINC000069184345 520252776 /nfs/dbraw/zinc/25/27/76/520252776.db2.gz PSGUMYGSQYZYOI-AWEZNQCLSA-N 1 2 283.393 2.444 10 0 CEAELO CCNc1cc(C[N@@H+]2CCC[C@H]2C(=O)OCC)ccn1 ZINC000052723826 520272059 /nfs/dbraw/zinc/27/20/59/520272059.db2.gz GWQXFGPHVZICFF-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CCNc1cc(C[N@H+]2CCC[C@H]2C(=O)OCC)ccn1 ZINC000052723826 520272071 /nfs/dbraw/zinc/27/20/71/520272071.db2.gz GWQXFGPHVZICFF-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CCCO[C@@H]1CCCN(c2cc[nH+]c(C(N)=S)c2)C1 ZINC000061813053 520276773 /nfs/dbraw/zinc/27/67/73/520276773.db2.gz CFYRCFVLYKGBQS-GFCCVEGCSA-N 1 2 279.409 2.111 10 0 CEAELO CCNc1ccc(Cn2cnc3ccsc3c2=O)c[nH+]1 ZINC000050829434 520317534 /nfs/dbraw/zinc/31/75/34/520317534.db2.gz MXTITQCNQJTSLC-UHFFFAOYSA-N 1 2 286.360 2.333 10 0 CEAELO CCNc1[nH+]cccc1Cn1ncc2ccccc2c1=O ZINC000052732369 520379976 /nfs/dbraw/zinc/37/99/76/520379976.db2.gz FHIWEKWKMBOHGH-UHFFFAOYSA-N 1 2 280.331 2.272 10 0 CEAELO CCOC(=O)CC(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000068814923 520594394 /nfs/dbraw/zinc/59/43/94/520594394.db2.gz QFNPCAUXMGMNDH-UHFFFAOYSA-N 1 2 274.320 2.175 10 0 CEAELO CCOc1cc(-c2[nH+]c(C)n(N)c2N)ccc1OC(F)F ZINC000052838411 520613069 /nfs/dbraw/zinc/61/30/69/520613069.db2.gz BXKGCCGEGNELRI-UHFFFAOYSA-N 1 2 298.293 2.155 10 0 CEAELO CCCCOCCOCC[C@H]([NH2+]CCC)C(=O)OCC ZINC000062542783 520789002 /nfs/dbraw/zinc/78/90/02/520789002.db2.gz CMNWYHINUSLQGD-AWEZNQCLSA-N 1 2 289.416 2.141 10 0 CEAELO CCOC(=O)[C@@H](CO[C@@H]1CCCc2ccccc21)[NH2+]C ZINC000045502596 521066871 /nfs/dbraw/zinc/06/68/71/521066871.db2.gz CZUQUCMZJDZHFE-HUUCEWRRSA-N 1 2 277.364 2.232 10 0 CEAELO CCOc1ccc(NC(=O)c2cccc(NN)[nH+]2)cc1 ZINC000051089290 521116954 /nfs/dbraw/zinc/11/69/54/521116954.db2.gz FNQKCINBUPEUJT-UHFFFAOYSA-N 1 2 272.308 2.018 10 0 CEAELO CCOC(=O)[C@H](CCN1c2ccccc2CC[C@@H]1C)[NH2+]C ZINC000062436614 521244383 /nfs/dbraw/zinc/24/43/83/521244383.db2.gz NCTCRVDRVYHDKY-ZFWWWQNUSA-N 1 2 290.407 2.369 10 0 CEAELO CCOC(=O)[C@H](CCSc1ccc(OC)cc1)[NH2+]C ZINC000062599124 521248293 /nfs/dbraw/zinc/24/82/93/521248293.db2.gz PHQIILHOZBYLHM-ZDUSSCGKSA-N 1 2 283.393 2.329 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccc(F)c(F)c1)[NH2+]C1CC1 ZINC000062595070 521248329 /nfs/dbraw/zinc/24/83/29/521248329.db2.gz JVXLKRDAWNSEIE-AWEZNQCLSA-N 1 2 299.317 2.417 10 0 CEAELO CCC(C)(C)[N@H+](C)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069446744 521304444 /nfs/dbraw/zinc/30/44/44/521304444.db2.gz NZRBVDNVJHLNKQ-HNNXBMFYSA-N 1 2 268.401 2.092 10 0 CEAELO CCC(C)(C)[N@@H+](C)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069446744 521304452 /nfs/dbraw/zinc/30/44/52/521304452.db2.gz NZRBVDNVJHLNKQ-HNNXBMFYSA-N 1 2 268.401 2.092 10 0 CEAELO CCCN(CC[C@H]([NH2+]C(C)C)C(=O)OC)CC(F)(F)F ZINC000062456035 521670540 /nfs/dbraw/zinc/67/05/40/521670540.db2.gz ARKSUPBTGVFFRF-NSHDSACASA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH+]1CCN(c2nc(C(C)(C)C)c(C=O)s2)CC1 ZINC000054967085 521700002 /nfs/dbraw/zinc/70/00/02/521700002.db2.gz SATJFUNHMGGZEW-UHFFFAOYSA-N 1 2 281.425 2.395 10 0 CEAELO CC[C@H](C)OC[C@]([NH2+]C(C)C)(C(=O)OC)C1CC1 ZINC000069198262 521755500 /nfs/dbraw/zinc/75/55/00/521755500.db2.gz OISZMTBVZYGCOX-SMDDNHRTSA-N 1 2 257.374 2.121 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)Oc1cccc(OC)c1)C(=O)OC ZINC000068655603 522421825 /nfs/dbraw/zinc/42/18/25/522421825.db2.gz ZWDQELPZCHQSNU-NHYWBVRUSA-N 1 2 281.352 2.004 10 0 CEAELO C[NH2+][C@@](C[NH+]1CCC2(CCCCC2)CC1)(C(=O)[O-])C1CC1 ZINC000069232006 522424574 /nfs/dbraw/zinc/42/45/74/522424574.db2.gz ABCMPGPLWPZDGN-QGZVFWFLSA-N 1 2 294.439 2.486 10 0 CEAELO C[NH2+][C@@](CO[C@@H]1CCCC[C@@H]1C)(C(=O)OC)C1CC1 ZINC000069196199 522428116 /nfs/dbraw/zinc/42/81/16/522428116.db2.gz GNVABQCZOUVQLM-NJZAAPMLSA-N 1 2 269.385 2.123 10 0 CEAELO C[N@H+](CCNCc1ccc(O)c(Br)c1)C1CC1 ZINC000062702891 522867456 /nfs/dbraw/zinc/86/74/56/522867456.db2.gz SIKQMLGINUMPTR-UHFFFAOYSA-N 1 2 299.212 2.339 10 0 CEAELO C[N@@H+](CCNCc1ccc(O)c(Br)c1)C1CC1 ZINC000062702891 522867465 /nfs/dbraw/zinc/86/74/65/522867465.db2.gz SIKQMLGINUMPTR-UHFFFAOYSA-N 1 2 299.212 2.339 10 0 CEAELO COC(=O)[C@@H](CCO[C@@H](C)CC(C)C)[NH2+]C(C)C ZINC000062545065 523574297 /nfs/dbraw/zinc/57/42/97/523574297.db2.gz KBZUTWMELVWJJV-QWHCGFSZSA-N 1 2 259.390 2.367 10 0 CEAELO COC(=O)[C@@H](CCOc1cccc(N(C)C)c1)[NH2+]C(C)C ZINC000062541740 523574267 /nfs/dbraw/zinc/57/42/67/523574267.db2.gz CCGSLHMIXMGVEC-OAHLLOKOSA-N 1 2 294.395 2.061 10 0 CEAELO COC(=O)[C@@](C)(C[C@@H](C)OC[C@@H]1CCCCO1)[NH2+]C1CC1 ZINC000068654085 523815767 /nfs/dbraw/zinc/81/57/67/523815767.db2.gz WRZCKYGMPHPYGS-IVMMDQJWSA-N 1 2 299.411 2.034 10 0 CEAELO COC(=O)[C@@](C)(C[C@H](C)Sc1ccncn1)[NH2+]C(C)C ZINC000068643769 523817566 /nfs/dbraw/zinc/81/75/66/523817566.db2.gz APJKGRLGCVSHJG-SMDDNHRTSA-N 1 2 297.424 2.277 10 0 CEAELO COC(=O)[C@H](CCN(C)c1ccc(F)cc1)[NH2+]C(C)C ZINC000062528205 523898711 /nfs/dbraw/zinc/89/87/11/523898711.db2.gz SPCBVXQXRSARLX-AWEZNQCLSA-N 1 2 282.359 2.192 10 0 CEAELO C[N@@H+]1CCN(c2nc(C3CC3)c(C=O)s2)CC1(C)C ZINC000069181448 523927570 /nfs/dbraw/zinc/92/75/70/523927570.db2.gz SQFQCZDCFMHABL-UHFFFAOYSA-N 1 2 279.409 2.363 10 0 CEAELO C[N@H+]1CCN(c2nc(C3CC3)c(C=O)s2)CC1(C)C ZINC000069181448 523927574 /nfs/dbraw/zinc/92/75/74/523927574.db2.gz SQFQCZDCFMHABL-UHFFFAOYSA-N 1 2 279.409 2.363 10 0 CEAELO COC(=O)[C@](C)(C[C@H](C)OC[C@@H]1CCCCO1)[NH2+]C1CC1 ZINC000068654078 524001668 /nfs/dbraw/zinc/00/16/68/524001668.db2.gz WRZCKYGMPHPYGS-NOLJZWGESA-N 1 2 299.411 2.034 10 0 CEAELO Cc1cc(N)nc(C2(c3ccccc3)CCOCC2)[nH+]1 ZINC000062784072 525042158 /nfs/dbraw/zinc/04/21/58/525042158.db2.gz UHNZARBJSNJZSY-UHFFFAOYSA-N 1 2 269.348 2.464 10 0 CEAELO C[C@]([NH3+])(c1nc(-c2cccnc2)no1)c1ccccc1 ZINC000052879342 525149488 /nfs/dbraw/zinc/14/94/88/525149488.db2.gz XGOPNAHDUHCGAZ-OAHLLOKOSA-N 1 2 266.304 2.354 10 0 CEAELO Cc1cc2[nH+]cn([C@H](C)C[C@@](C)([NH3+])C(=O)[O-])c2cc1C ZINC000068648749 525686344 /nfs/dbraw/zinc/68/63/44/525686344.db2.gz KMHICYVYVUJVHC-IAQYHMDHSA-N 1 2 275.352 2.406 10 0 CEAELO Cc1cnc(C[NH2+]Cc2cnc3ccccc3n2)cn1 ZINC000061320570 526042068 /nfs/dbraw/zinc/04/20/68/526042068.db2.gz FXMHEQPHFZJWIS-UHFFFAOYSA-N 1 2 265.320 2.018 10 0 CEAELO C[C@H]1CCCC[C@H]1[N@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069132396 526261174 /nfs/dbraw/zinc/26/11/74/526261174.db2.gz BLOFPKYHZBRXJY-XGWLTEMNSA-N 1 2 294.439 2.482 10 0 CEAELO C[C@H]1CCCC[C@H]1[N@@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069132396 526261176 /nfs/dbraw/zinc/26/11/76/526261176.db2.gz BLOFPKYHZBRXJY-XGWLTEMNSA-N 1 2 294.439 2.482 10 0 CEAELO Cc1[nH]c(CNc2cc3c(cc2Cl)NC(=O)CO3)c[nH+]1 ZINC000054821851 526896114 /nfs/dbraw/zinc/89/61/14/526896114.db2.gz XUBMDBPCIKTJEM-UHFFFAOYSA-N 1 2 292.726 2.315 10 0 CEAELO Cc1[nH]cc(CNc2cc3c(cc2Cl)NC(=O)CO3)[nH+]1 ZINC000054821851 526896118 /nfs/dbraw/zinc/89/61/18/526896118.db2.gz XUBMDBPCIKTJEM-UHFFFAOYSA-N 1 2 292.726 2.315 10 0 CEAELO Cc1nc(Cc2nc3sccc3c(NN)[nH+]2)cs1 ZINC000055296708 526929087 /nfs/dbraw/zinc/92/90/87/526929087.db2.gz YNEATGUEDAMNFB-UHFFFAOYSA-N 1 2 277.378 2.333 10 0 CEAELO NC(=S)c1cc2c([nH+]c1NC[C@H]1CCOC1)CCCC2 ZINC000061147282 527118090 /nfs/dbraw/zinc/11/80/90/527118090.db2.gz IZRWNIYVDXTDAV-SNVBAGLBSA-N 1 2 291.420 2.043 10 0 CEAELO NC(=S)c1cc[nH+]c(NCCc2ccsc2)c1 ZINC000049186059 527121586 /nfs/dbraw/zinc/12/15/86/527121586.db2.gz CYIGJOGFQIAQBP-UHFFFAOYSA-N 1 2 263.391 2.432 10 0 CEAELO NNc1cccc(C(=O)Nc2cccc3cccnc32)[nH+]1 ZINC000051089477 527283126 /nfs/dbraw/zinc/28/31/26/527283126.db2.gz SMPSJRKVKAVCOQ-UHFFFAOYSA-N 1 2 279.303 2.168 10 0 CEAELO Nc1c(-c2cccnc2)[nH+]c(C2CCCCC2)n1N ZINC000052839811 527422883 /nfs/dbraw/zinc/42/28/83/527422883.db2.gz ZIJCDOQOLWLJID-UHFFFAOYSA-N 1 2 257.341 2.289 10 0 CEAELO Cn1cc[nH+]c1CNc1cc(C(N)=S)c2ccccc2n1 ZINC000068799514 527438195 /nfs/dbraw/zinc/43/81/95/527438195.db2.gz AKVUTRDZWMGQSU-UHFFFAOYSA-N 1 2 297.387 2.215 10 0 CEAELO Nc1[nH+]cccc1COCc1ccc2c(c1)OCO2 ZINC000052754907 527568757 /nfs/dbraw/zinc/56/87/57/527568757.db2.gz LMTDOIVXDBFDSB-UHFFFAOYSA-N 1 2 258.277 2.109 10 0 CEAELO CCOCC[N@@H+]1CCN(C(=O)c2oc(C)cc2C)C[C@@H]1C ZINC000176755193 528747723 /nfs/dbraw/zinc/74/77/23/528747723.db2.gz FYMPQSYDCANZIH-ZDUSSCGKSA-N 1 2 294.395 2.079 10 0 CEAELO CCOCC[N@H+]1CCN(C(=O)c2oc(C)cc2C)C[C@@H]1C ZINC000176755193 528747729 /nfs/dbraw/zinc/74/77/29/528747729.db2.gz FYMPQSYDCANZIH-ZDUSSCGKSA-N 1 2 294.395 2.079 10 0 CEAELO FC(F)(F)COc1cc(C[NH2+]Cc2cc[nH]n2)ccn1 ZINC000066972509 628817768 /nfs/dbraw/zinc/81/77/68/628817768.db2.gz YNWXMLWJEVXPQK-UHFFFAOYSA-N 1 2 286.257 2.036 10 0 CEAELO CC(C)CCCCCCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104797786 640068113 /nfs/dbraw/zinc/06/81/13/640068113.db2.gz RGKDZSFXGPUCLB-HNNXBMFYSA-N 1 2 299.459 2.223 10 0 CEAELO CC(C)CCCCCCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104797786 640068120 /nfs/dbraw/zinc/06/81/20/640068120.db2.gz RGKDZSFXGPUCLB-HNNXBMFYSA-N 1 2 299.459 2.223 10 0 CEAELO CCC1(CC)CN(C[N@@H+]2CCS[C@H](C)C2)C(=O)O1 ZINC000180242089 641436600 /nfs/dbraw/zinc/43/66/00/641436600.db2.gz MGDYQNHYMJESLB-LLVKDONJSA-N 1 2 272.414 2.392 10 0 CEAELO CCC1(CC)CN(C[N@H+]2CCS[C@H](C)C2)C(=O)O1 ZINC000180242089 641436605 /nfs/dbraw/zinc/43/66/05/641436605.db2.gz MGDYQNHYMJESLB-LLVKDONJSA-N 1 2 272.414 2.392 10 0 CEAELO CC(C)c1nnc2sc([C@H]([NH3+])c3ccccc3)nn21 ZINC000082585089 178120840 /nfs/dbraw/zinc/12/08/40/178120840.db2.gz OFSLYOIDCKDAOG-SNVBAGLBSA-N 1 2 273.365 2.357 10 0 CEAELO O=S(=O)(Nc1cc[nH+]cc1)c1ccc2c(c1)CCCN2 ZINC000034955601 361798979 /nfs/dbraw/zinc/79/89/79/361798979.db2.gz RCZHEYBLABZNAS-UHFFFAOYSA-N 1 2 289.360 2.241 10 0 CEAELO CCCC[C@@H](CCC)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000124917109 365662260 /nfs/dbraw/zinc/66/22/60/365662260.db2.gz VDFJEYFXVUVVOO-CABCVRRESA-N 1 2 299.459 2.223 10 0 CEAELO CCCC[C@@H](CCC)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000124917109 365662266 /nfs/dbraw/zinc/66/22/66/365662266.db2.gz VDFJEYFXVUVVOO-CABCVRRESA-N 1 2 299.459 2.223 10 0 CEAELO CCCC(CCC)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000125468014 187186685 /nfs/dbraw/zinc/18/66/85/187186685.db2.gz HUSJGMCRQGFFHB-HNNXBMFYSA-N 1 2 282.428 2.136 10 0 CEAELO CCn1cc[nH+]c1C[S@@](=O)c1ccc(Cl)cn1 ZINC000177294165 529582352 /nfs/dbraw/zinc/58/23/52/529582352.db2.gz ZBNGFVSJKAMZSJ-QGZVFWFLSA-N 1 2 269.757 2.259 10 0 CEAELO CCn1cc[nH+]c1C[S@@](=O)c1cccc(OC)c1 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CN(Cc1ccncc1)c1cc(N[C@H]2CCCOC2)nc[nH+]1 ZINC000328655612 344757724 /nfs/dbraw/zinc/75/77/24/344757724.db2.gz YNZSOTMAHRAQCR-AWEZNQCLSA-N 1 2 299.378 2.099 10 0 CEAELO Cn1cc[nH+]c1[C@@H](Cc1ccc(C(F)(F)F)cc1)NN ZINC000097616230 185639376 /nfs/dbraw/zinc/63/93/76/185639376.db2.gz VMEIJSKUVGNCCM-LLVKDONJSA-N 1 2 284.285 2.186 10 0 CEAELO O=[S@@]1CCC[NH2+][C@@H](c2ccc(F)cc2Cl)C1 ZINC000085315458 179013920 /nfs/dbraw/zinc/01/39/20/179013920.db2.gz DOPUFZFUSBJHSB-BZNIZROVSA-N 1 2 261.749 2.262 10 0 CEAELO CCn1cc[nH+]c1[C@@H](NN)c1cccc2ncccc21 ZINC000097736731 185658933 /nfs/dbraw/zinc/65/89/33/185658933.db2.gz ZFUITEYMJYFDKR-AWEZNQCLSA-N 1 2 267.336 2.004 10 0 CEAELO Cc1[nH+]cn(-c2ncc(N)cc2Br)c1C ZINC000086481675 179301149 /nfs/dbraw/zinc/30/11/49/179301149.db2.gz MQQFCRFCTWZJBZ-UHFFFAOYSA-N 1 2 267.130 2.229 10 0 CEAELO CCC[C@@H]1CC[C@@H]2[NH2+][C@@H](C(=O)OC)CS[C@@H]2C1 ZINC000087306339 179411211 /nfs/dbraw/zinc/41/12/11/179411211.db2.gz VXKONKLRJUIGMA-WRWGMCAJSA-N 1 2 257.399 2.202 10 0 CEAELO CO[C@@H]1CCCCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616624688 348538521 /nfs/dbraw/zinc/53/85/21/348538521.db2.gz GFRQPCDNXDASJW-GFCCVEGCSA-N 1 2 272.389 2.360 10 0 CEAELO CO[C@@H]1CCCCC[N@H+]1CCNC(=O)OC(C)(C)C ZINC000616624688 348538525 /nfs/dbraw/zinc/53/85/25/348538525.db2.gz GFRQPCDNXDASJW-GFCCVEGCSA-N 1 2 272.389 2.360 10 0 CEAELO CC(C)(C)OC(=O)N1CCO[C@@H](c2c[nH]c[nH+]2)CC1 ZINC000616662325 348553767 /nfs/dbraw/zinc/55/37/67/348553767.db2.gz GRPOQDSUKJBVIZ-LLVKDONJSA-N 1 2 267.329 2.108 10 0 CEAELO CC(C)(C)OC(=O)N1CCO[C@@H](c2c[nH+]c[nH]2)CC1 ZINC000616662325 348553769 /nfs/dbraw/zinc/55/37/69/348553769.db2.gz GRPOQDSUKJBVIZ-LLVKDONJSA-N 1 2 267.329 2.108 10 0 CEAELO NC(=O)N1CC[C@@H](c2cccc(N)[nH+]2)c2ccccc21 ZINC000616676867 348557500 /nfs/dbraw/zinc/55/75/00/348557500.db2.gz QLQGZYWXPSTEJU-SNVBAGLBSA-N 1 2 268.320 2.085 10 0 CEAELO COC(=O)N1c2ccccc2NC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616683162 348559700 /nfs/dbraw/zinc/55/97/00/348559700.db2.gz PHHIEAARMNDMAU-CYBMUJFWSA-N 1 2 284.319 2.234 10 0 CEAELO CC1(C)C[S@](=O)C[C@H](c2ccccc2OC(F)F)[NH2+]1 ZINC000090357813 179975946 /nfs/dbraw/zinc/97/59/46/179975946.db2.gz ZZELIMLACFBHDT-DGIBIBHMSA-N 1 2 289.347 2.460 10 0 CEAELO COC(=O)[C@](C)(CCO[C@H](C)C(F)(F)F)[NH2+]C1CC1 ZINC000090674661 180022576 /nfs/dbraw/zinc/02/25/76/180022576.db2.gz KTOIXIAKWSUDJQ-KCJUWKMLSA-N 1 2 283.290 2.028 10 0 CEAELO COC(=O)c1cc(NCCc2ccc(O)cc2)cc[nH+]1 ZINC000090737493 180034341 /nfs/dbraw/zinc/03/43/41/180034341.db2.gz OQJHWLCMWXZJCG-UHFFFAOYSA-N 1 2 272.304 2.228 10 0 CEAELO [NH3+]Cc1nc(-c2n[nH]c(-c3cccs3)n2)cs1 ZINC000090934596 180067489 /nfs/dbraw/zinc/06/74/89/180067489.db2.gz XPUWAYJVJKIYRB-UHFFFAOYSA-N 1 2 263.351 2.115 10 0 CEAELO [NH3+]Cc1nc(-c2nc(-c3cccs3)n[nH]2)cs1 ZINC000090934596 180067492 /nfs/dbraw/zinc/06/74/92/180067492.db2.gz XPUWAYJVJKIYRB-UHFFFAOYSA-N 1 2 263.351 2.115 10 0 CEAELO CC[C@@H](C)[C@@H]([NH2+]Cc1c[nH]c2ncccc12)C(=O)OC ZINC000091016689 180086753 /nfs/dbraw/zinc/08/67/53/180086753.db2.gz KHBXSUMGALMZCL-ZWNOBZJWSA-N 1 2 275.352 2.240 10 0 CEAELO CC(C)n1c[nH+]cc1[C@H](N)c1noc(C(C)(C)C)n1 ZINC000091273294 180117926 /nfs/dbraw/zinc/11/79/26/180117926.db2.gz CIQRGCIUPFRYQT-JTQLQIEISA-N 1 2 263.345 2.193 10 0 CEAELO COC(=O)[C@@H](NC1CCCC1)c1c[nH+]cn1C(C)C ZINC000091272808 180117972 /nfs/dbraw/zinc/11/79/72/180117972.db2.gz RPIVGRDJQHFPHF-ZDUSSCGKSA-N 1 2 265.357 2.210 10 0 CEAELO CS(=O)(=O)c1ccc(NCc2c[nH+]cn2C2CC2)cc1 ZINC000091274206 180119011 /nfs/dbraw/zinc/11/90/11/180119011.db2.gz LGRFGFQNZUSVDL-UHFFFAOYSA-N 1 2 291.376 2.234 10 0 CEAELO OCC1C[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000091470110 180165013 /nfs/dbraw/zinc/16/50/13/180165013.db2.gz OFFFTPISWHHKHB-UHFFFAOYSA-N 1 2 278.739 2.419 10 0 CEAELO CC(C)(C(=O)C[C@@H]1Cc2ccccc21)[NH+]1CCOCC1 ZINC000091565491 180193338 /nfs/dbraw/zinc/19/33/38/180193338.db2.gz WDNNSFRFDLNJMV-AWEZNQCLSA-N 1 2 273.376 2.396 10 0 CEAELO O=C(CC1CCOCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642458 180213361 /nfs/dbraw/zinc/21/33/61/180213361.db2.gz 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/nfs/dbraw/zinc/08/81/56/186088156.db2.gz AFTBQKRZLXEARE-ZDUSSCGKSA-N 1 2 289.383 2.364 10 0 CEAELO CCCc1noc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)n1 ZINC000105901137 186088158 /nfs/dbraw/zinc/08/81/58/186088158.db2.gz AFTBQKRZLXEARE-ZDUSSCGKSA-N 1 2 289.383 2.364 10 0 CEAELO Cc1[nH]n(-c2ccc(Cl)cc2Cl)c(=O)c1C[NH3+] ZINC000092319619 180361964 /nfs/dbraw/zinc/36/19/64/180361964.db2.gz VXETTYQIKOGMNT-MRVPVSSYSA-N 1 2 272.135 2.291 10 0 CEAELO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105896130 186085514 /nfs/dbraw/zinc/08/55/14/186085514.db2.gz DTUANIZVPGSNLJ-CHWSQXEVSA-N 1 2 279.384 2.125 10 0 CEAELO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105896130 186085516 /nfs/dbraw/zinc/08/55/16/186085516.db2.gz DTUANIZVPGSNLJ-CHWSQXEVSA-N 1 2 279.384 2.125 10 0 CEAELO COC(=O)[C@]1([NH2+]CC2CC2)CCCc2ccc(OC)cc21 ZINC000092386995 180374424 /nfs/dbraw/zinc/37/44/24/180374424.db2.gz QHVKJBQTGWWMAM-KRWDZBQOSA-N 1 2 289.375 2.399 10 0 CEAELO CCC[NH2+][C@]1(C(=O)OC)CCCc2ccc(OC)cc21 ZINC000092386951 180374561 /nfs/dbraw/zinc/37/45/61/180374561.db2.gz VDJAHVFIGXFELE-MRXNPFEDSA-N 1 2 277.364 2.399 10 0 CEAELO CC(=O)c1csc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000106635305 186129687 /nfs/dbraw/zinc/12/96/87/186129687.db2.gz MBPSEIQHLOYPSS-CYBMUJFWSA-N 1 2 292.404 2.261 10 0 CEAELO CC(=O)c1csc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000106635305 186129689 /nfs/dbraw/zinc/12/96/89/186129689.db2.gz MBPSEIQHLOYPSS-CYBMUJFWSA-N 1 2 292.404 2.261 10 0 CEAELO Cc1c(C)n([C@H]2CCCOC2)c2nc(C)[nH+]c(N)c12 ZINC000109549460 186261691 /nfs/dbraw/zinc/26/16/91/186261691.db2.gz LJRIIRLRDGHICT-NSHDSACASA-N 1 2 260.341 2.290 10 0 CEAELO COc1ccc(C[NH2+][C@H](C)c2cc[nH]n2)c(OC)c1 ZINC000109553688 186262827 /nfs/dbraw/zinc/26/28/27/186262827.db2.gz JTFFEABFVAKGMP-SNVBAGLBSA-N 1 2 261.325 2.278 10 0 CEAELO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1c(N)cccc1F ZINC000109427191 186251849 /nfs/dbraw/zinc/25/18/49/186251849.db2.gz MXDOXNLFMICMFQ-MNOVXSKESA-N 1 2 252.333 2.407 10 0 CEAELO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1c(N)cccc1F ZINC000109427191 186251851 /nfs/dbraw/zinc/25/18/51/186251851.db2.gz MXDOXNLFMICMFQ-MNOVXSKESA-N 1 2 252.333 2.407 10 0 CEAELO CCc1[nH+]c2c(OC)ccc(OC)c2c(NN)c1C ZINC000110472175 186297843 /nfs/dbraw/zinc/29/78/43/186297843.db2.gz ROXXRUXIKSSOCS-UHFFFAOYSA-N 1 2 261.325 2.408 10 0 CEAELO CC[C@H]1C[N@H+](CCOc2ccccc2C(C)=O)CCN1C ZINC000110728736 186317549 /nfs/dbraw/zinc/31/75/49/186317549.db2.gz MVSUBOBFVIAIJI-HNNXBMFYSA-N 1 2 290.407 2.294 10 0 CEAELO CC[C@H]1C[N@@H+](CCOc2ccccc2C(C)=O)CCN1C ZINC000110728736 186317551 /nfs/dbraw/zinc/31/75/51/186317551.db2.gz MVSUBOBFVIAIJI-HNNXBMFYSA-N 1 2 290.407 2.294 10 0 CEAELO COc1cc([N@H+](C)C[C@@H]2CCCOC2)ccc1N ZINC000111158098 186363007 /nfs/dbraw/zinc/36/30/07/186363007.db2.gz ZYDPGTXJPCVFGG-NSHDSACASA-N 1 2 250.342 2.140 10 0 CEAELO COc1cc([N@@H+](C)C[C@@H]2CCCOC2)ccc1N ZINC000111158098 186363008 /nfs/dbraw/zinc/36/30/08/186363008.db2.gz ZYDPGTXJPCVFGG-NSHDSACASA-N 1 2 250.342 2.140 10 0 CEAELO 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CCn1c(C)nnc1C[N@H+](CCOC)Cc1ccccc1 ZINC000195016157 153272121 /nfs/dbraw/zinc/27/21/21/153272121.db2.gz RQQJGUYZCXZDSE-UHFFFAOYSA-N 1 2 288.395 2.255 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](CCOC)Cc1ccccc1 ZINC000195016157 153272123 /nfs/dbraw/zinc/27/21/23/153272123.db2.gz RQQJGUYZCXZDSE-UHFFFAOYSA-N 1 2 288.395 2.255 10 0 CEAELO CCc1nnc(C[N@H+](C)CCCOc2ccccc2)n1C ZINC000195072000 153278349 /nfs/dbraw/zinc/27/83/49/153278349.db2.gz NZMNHQHZXSNQCF-UHFFFAOYSA-N 1 2 288.395 2.278 10 0 CEAELO CCc1nnc(C[N@@H+](C)CCCOc2ccccc2)n1C ZINC000195072000 153278355 /nfs/dbraw/zinc/27/83/55/153278355.db2.gz NZMNHQHZXSNQCF-UHFFFAOYSA-N 1 2 288.395 2.278 10 0 CEAELO CC(C)n1nnnc1CSc1[nH+]cc2ccccn21 ZINC000195517077 153292094 /nfs/dbraw/zinc/29/20/94/153292094.db2.gz ZFVMKEQKNHFFGO-UHFFFAOYSA-N 1 2 274.353 2.194 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1ccccc1 ZINC000195519653 153292406 /nfs/dbraw/zinc/29/24/06/153292406.db2.gz MZRVYVQNWSHHOB-UHFFFAOYSA-N 1 2 264.350 2.018 10 0 CEAELO CN(C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1)c1ccccc1 ZINC000195506924 153292439 /nfs/dbraw/zinc/29/24/39/153292439.db2.gz BZRJCRBJISWLKT-UHFFFAOYSA-N 1 2 298.390 2.252 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1ccccc1C ZINC000195519651 153294287 /nfs/dbraw/zinc/29/42/87/153294287.db2.gz LORMGOMFOIVWPP-UHFFFAOYSA-N 1 2 278.377 2.326 10 0 CEAELO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000230643452 153395769 /nfs/dbraw/zinc/39/57/69/153395769.db2.gz KEBQOEACKQOJLO-VXGBXAGGSA-N 1 2 267.373 2.329 10 0 CEAELO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230643444 153395787 /nfs/dbraw/zinc/39/57/87/153395787.db2.gz KEBQOEACKQOJLO-RYUDHWBXSA-N 1 2 267.373 2.329 10 0 CEAELO CC(C)(C)c1cnc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)s1 ZINC000263245675 154041639 /nfs/dbraw/zinc/04/16/39/154041639.db2.gz PEWPOYUEPJMOEQ-SSDOTTSWSA-N 1 2 289.351 2.376 10 0 CEAELO Brc1ccc(CN2CCn3cc[nH+]c3C2)nc1 ZINC000134534331 162300115 /nfs/dbraw/zinc/30/01/15/162300115.db2.gz NMJZDGJHZQKZOL-UHFFFAOYSA-N 1 2 293.168 2.056 10 0 CEAELO COc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000171702384 162385799 /nfs/dbraw/zinc/38/57/99/162385799.db2.gz DDMRELLKHKVCQN-NSHDSACASA-N 1 2 280.393 2.071 10 0 CEAELO COc1ccccc1NC(=O)C[N@H+]1CCS[C@@H](C)C1 ZINC000171702384 162385803 /nfs/dbraw/zinc/38/58/03/162385803.db2.gz DDMRELLKHKVCQN-NSHDSACASA-N 1 2 280.393 2.071 10 0 CEAELO COc1ccc(NCC[NH+]2CCOCC2)cc1Cl ZINC000020041281 170975743 /nfs/dbraw/zinc/97/57/43/170975743.db2.gz UKUDXEFRJCCDAK-UHFFFAOYSA-N 1 2 270.760 2.093 10 0 CEAELO CCC(=O)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000020287451 171133335 /nfs/dbraw/zinc/13/33/35/171133335.db2.gz HFTBMMBIZQNMHV-FZMZJTMJSA-N 1 2 282.409 2.036 10 0 CEAELO O=C(NCn1cc[nH+]c1)Oc1ccc(Cl)cc1 ZINC000020478667 171221941 /nfs/dbraw/zinc/22/19/41/171221941.db2.gz KXIFJQVVPGHDNI-UHFFFAOYSA-N 1 2 251.673 2.283 10 0 CEAELO CCNC(=O)C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000035139017 172006790 /nfs/dbraw/zinc/00/67/90/172006790.db2.gz IXZQKTBLKHFAAQ-OAHLLOKOSA-N 1 2 258.321 2.095 10 0 CEAELO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)N(C)C ZINC000035139020 172007001 /nfs/dbraw/zinc/00/70/01/172007001.db2.gz KSDHCGQJWGKLPR-DOMZBBRYSA-N 1 2 272.348 2.435 10 0 CEAELO Nc1ccc(SC[C@H]2COC3(CCCC3)O2)c[nH+]1 ZINC000037192004 173021242 /nfs/dbraw/zinc/02/12/42/173021242.db2.gz MUPNNJPCDDNORP-SNVBAGLBSA-N 1 2 266.366 2.442 10 0 CEAELO CC[C@H](C(=O)c1ccccc1)[N@@H+]1CCCN(C)CC1 ZINC000037333674 173134951 /nfs/dbraw/zinc/13/49/51/173134951.db2.gz UCJNZFUVCAWOEV-OAHLLOKOSA-N 1 2 260.381 2.285 10 0 CEAELO CC[C@H](C(=O)c1ccccc1)[N@H+]1CCCN(C)CC1 ZINC000037333674 173134955 /nfs/dbraw/zinc/13/49/55/173134955.db2.gz UCJNZFUVCAWOEV-OAHLLOKOSA-N 1 2 260.381 2.285 10 0 CEAELO CC[C@]([NH2+]C(C)C)(C(=O)OC)c1ccc(O)cc1 ZINC000037445683 173212335 /nfs/dbraw/zinc/21/23/35/173212335.db2.gz URPHNKZKKVHVOI-CQSZACIVSA-N 1 2 251.326 2.169 10 0 CEAELO C[C@H](C(=O)N1CCCC1)n1cc[nH+]c1-c1ccc(N)cc1 ZINC000037974238 173928604 /nfs/dbraw/zinc/92/86/04/173928604.db2.gz IAYYYKGGRQDHDU-GFCCVEGCSA-N 1 2 284.363 2.316 10 0 CEAELO COCc1cc([C@@H](C)[NH2+]Cc2nc(C)no2)ccc1OC ZINC000038034138 174032046 /nfs/dbraw/zinc/03/20/46/174032046.db2.gz XRINJDZEKPGEAI-SNVBAGLBSA-N 1 2 291.351 2.384 10 0 CEAELO COCc1cc([C@H](C)[NH2+]Cc2nc(C)no2)ccc1OC ZINC000038034137 174032503 /nfs/dbraw/zinc/03/25/03/174032503.db2.gz XRINJDZEKPGEAI-JTQLQIEISA-N 1 2 291.351 2.384 10 0 CEAELO Cc1csc(C[NH2+]Cc2cn3ccccc3n2)n1 ZINC000038091630 174105657 /nfs/dbraw/zinc/10/56/57/174105657.db2.gz TZFQGQYOZNQWKU-UHFFFAOYSA-N 1 2 258.350 2.389 10 0 CEAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)NC(C)C ZINC000040295510 174223753 /nfs/dbraw/zinc/22/37/53/174223753.db2.gz HTYJZMFFKACVQV-UHFFFAOYSA-N 1 2 259.353 2.486 10 0 CEAELO Cc1ccc(C(N)=S)c(N[C@@H](C)[C@H]2CCCO2)[nH+]1 ZINC000043396666 175036406 /nfs/dbraw/zinc/03/64/06/175036406.db2.gz OZVLFUVAMPISLS-GXSJLCMTSA-N 1 2 265.382 2.004 10 0 CEAELO Cc1cc(Cn2c(C)c(C)c3c2nc(C)[nH+]c3N)on1 ZINC000045006769 175289065 /nfs/dbraw/zinc/28/90/65/175289065.db2.gz JOJNHKQVCXADMF-UHFFFAOYSA-N 1 2 271.324 2.283 10 0 CEAELO CCOC(=O)[C@](C)(CCOC)[NH2+]Cc1ccccc1 ZINC000045044166 175295822 /nfs/dbraw/zinc/29/58/22/175295822.db2.gz FUAVQGQHHBLWKV-HNNXBMFYSA-N 1 2 265.353 2.135 10 0 CEAELO CCC[NH2+][C@](C)(CN1CCc2ccccc21)C(=O)OCC ZINC000045224256 175332129 /nfs/dbraw/zinc/33/21/29/175332129.db2.gz MMKVZZDGRDJNRN-QGZVFWFLSA-N 1 2 290.407 2.371 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269180 175340933 /nfs/dbraw/zinc/34/09/33/175340933.db2.gz WCCARHRDQBCNCJ-AWEZNQCLSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269180 175340936 /nfs/dbraw/zinc/34/09/36/175340936.db2.gz WCCARHRDQBCNCJ-AWEZNQCLSA-N 1 2 256.390 2.094 10 0 CEAELO CCOC(=O)[C@](C)(CN(CC)c1cccc(C)c1)[NH2+]C ZINC000045273158 175343688 /nfs/dbraw/zinc/34/36/88/175343688.db2.gz XUMYIJUONNIBOM-INIZCTEOSA-N 1 2 278.396 2.363 10 0 CEAELO CCO[C@@H](C)c1nc2c(c(NN)[nH+]1)CCCCC2 ZINC000070833154 176007783 /nfs/dbraw/zinc/00/77/83/176007783.db2.gz DDGRATLZEFQWBF-VIFPVBQESA-N 1 2 250.346 2.129 10 0 CEAELO CCC[N@@H+](CC(=O)OC)C[C@@H]1OCCc2ccccc21 ZINC000071098186 176032727 /nfs/dbraw/zinc/03/27/27/176032727.db2.gz XXLUZWWGELSLLA-HNNXBMFYSA-N 1 2 277.364 2.185 10 0 CEAELO CCC[N@H+](CC(=O)OC)C[C@@H]1OCCc2ccccc21 ZINC000071098186 176032728 /nfs/dbraw/zinc/03/27/28/176032728.db2.gz XXLUZWWGELSLLA-HNNXBMFYSA-N 1 2 277.364 2.185 10 0 CEAELO COC(=O)[C@@](C)(Cc1ccc(OC)cc1)[NH2+]C(C)C ZINC000071169710 176050328 /nfs/dbraw/zinc/05/03/28/176050328.db2.gz RHQDHHIYJALEJZ-OAHLLOKOSA-N 1 2 265.353 2.167 10 0 CEAELO Nc1[nH+]cnc2c1cnn2Cc1ccccc1Cl ZINC000071194166 176075964 /nfs/dbraw/zinc/07/59/64/176075964.db2.gz KKWZTMOVRPLXKT-UHFFFAOYSA-N 1 2 259.700 2.110 10 0 CEAELO CNc1ccc(Cn2cc(C(F)(F)F)ccc2=O)c[nH+]1 ZINC000071212075 176083762 /nfs/dbraw/zinc/08/37/62/176083762.db2.gz YRRCQDYFFYARMX-UHFFFAOYSA-N 1 2 283.253 2.352 10 0 CEAELO CC1(C)COCC[N@@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265931 176099212 /nfs/dbraw/zinc/09/92/12/176099212.db2.gz DNUQYSKJHBTMCJ-UHFFFAOYSA-N 1 2 282.384 2.071 10 0 CEAELO CC1(C)COCC[N@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265931 176099213 /nfs/dbraw/zinc/09/92/13/176099213.db2.gz DNUQYSKJHBTMCJ-UHFFFAOYSA-N 1 2 282.384 2.071 10 0 CEAELO NC(=S)c1cc(F)ccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000071266168 176099942 /nfs/dbraw/zinc/09/99/42/176099942.db2.gz RDMXIODEHXKJEU-KBPBESRZSA-N 1 2 294.395 2.213 10 0 CEAELO NC(=S)c1cc(F)ccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000071266168 176099943 /nfs/dbraw/zinc/09/99/43/176099943.db2.gz RDMXIODEHXKJEU-KBPBESRZSA-N 1 2 294.395 2.213 10 0 CEAELO C[NH+](C)CCCNc1[nH+]c2ccccc2cc1C(=O)[O-] ZINC000071386660 176147921 /nfs/dbraw/zinc/14/79/21/176147921.db2.gz MPIKVDJZRVGRDF-UHFFFAOYSA-N 1 2 273.336 2.297 10 0 CEAELO O=C(Cc1ccccc1)NCCc1cn2cc(F)ccc2[nH+]1 ZINC000071490023 176190290 /nfs/dbraw/zinc/19/02/90/176190290.db2.gz OIQFLHWDSYBQRY-UHFFFAOYSA-N 1 2 297.333 2.375 10 0 CEAELO Cc1cccc2[nH+]c(CCNC(=O)c3ccncc3)cn21 ZINC000071490896 176190642 /nfs/dbraw/zinc/19/06/42/176190642.db2.gz LKLXHEUEHJMUCM-UHFFFAOYSA-N 1 2 280.331 2.010 10 0 CEAELO CCC(=O)NCCc1cn2cc(C(F)(F)F)ccc2[nH+]1 ZINC000071491361 176190699 /nfs/dbraw/zinc/19/06/99/176190699.db2.gz KGXPRJAISRQNKY-UHFFFAOYSA-N 1 2 285.269 2.422 10 0 CEAELO Cc1ccn2cc(CC(=O)N3CCC(C)CC3)[nH+]c2c1 ZINC000071552382 176196351 /nfs/dbraw/zinc/19/63/51/176196351.db2.gz DJDPGPUTROWXDN-UHFFFAOYSA-N 1 2 271.364 2.444 10 0 CEAELO C[C@H]([NH2+]Cc1cnn[nH]1)c1cccc(Br)c1 ZINC000398371584 270357961 /nfs/dbraw/zinc/35/79/61/270357961.db2.gz OSHQPHQAZJMVKO-QMMMGPOBSA-N 1 2 281.157 2.418 10 0 CEAELO C[C@H]([NH2+]Cc1c[nH]nn1)c1cccc(Br)c1 ZINC000398371584 270357963 /nfs/dbraw/zinc/35/79/63/270357963.db2.gz OSHQPHQAZJMVKO-QMMMGPOBSA-N 1 2 281.157 2.418 10 0 CEAELO C[C@H]([NH2+]Cc1cn[nH]n1)c1cccc(Br)c1 ZINC000398371584 270357965 /nfs/dbraw/zinc/35/79/65/270357965.db2.gz OSHQPHQAZJMVKO-QMMMGPOBSA-N 1 2 281.157 2.418 10 0 CEAELO CC(C)=CC[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000232632097 277326519 /nfs/dbraw/zinc/32/65/19/277326519.db2.gz MXHMBRUIIHQTMO-LBPRGKRZSA-N 1 2 251.351 2.071 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC[C@H]1CCCO1 ZINC000188790425 280140322 /nfs/dbraw/zinc/14/03/22/280140322.db2.gz BFSSCDBKKSZRGP-XIKOKIGWSA-N 1 2 270.398 2.282 10 0 CEAELO CCC(CC)(CC)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000153838826 289124162 /nfs/dbraw/zinc/12/41/62/289124162.db2.gz BLWRQNRUGWWRTN-CQSZACIVSA-N 1 2 299.459 2.223 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1ccc(C)cc1)C(=O)OCC ZINC000062529628 520086021 /nfs/dbraw/zinc/08/60/21/520086021.db2.gz ULNYQRZVISNMBL-HNNXBMFYSA-N 1 2 278.396 2.363 10 0 CEAELO CC[NH2+][C@@H](CCOC1CCC(C)CC1)C(=O)OC ZINC000062544166 520090858 /nfs/dbraw/zinc/09/08/58/520090858.db2.gz CMBDLZGCRQNXME-BPCQOVAHSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC[C@@H](O)CNc1ccc([NH+]2CCCC2)cc1 ZINC000069278695 520105438 /nfs/dbraw/zinc/10/54/38/520105438.db2.gz KQWKQRHAYHLKTR-HNNXBMFYSA-N 1 2 264.369 2.096 10 0 CEAELO CC[NH2+][C@@](C)(COc1ccc(F)c(F)c1)C(=O)OCC ZINC000045544496 520136338 /nfs/dbraw/zinc/13/63/38/520136338.db2.gz OJOKSSXBDUEZSQ-AWEZNQCLSA-N 1 2 287.306 2.275 10 0 CEAELO CC[NH2+][C@@](C)(COc1cccc(OC)c1)C(=O)OCC ZINC000045512696 520137612 /nfs/dbraw/zinc/13/76/12/520137612.db2.gz BMARAQFHGRICQB-HNNXBMFYSA-N 1 2 281.352 2.005 10 0 CEAELO CCOC(=O)C=C(O)C[NH+]1CCC(C)(CC)CC1 ZINC000068814750 520589630 /nfs/dbraw/zinc/58/96/30/520589630.db2.gz ZFWSXKLORCACSD-UHFFFAOYSA-N 1 2 255.358 2.021 10 0 CEAELO CC(C)(C)C1=NN(c2ccccn2)C(=O)[C@H]1CCC[NH3+] ZINC000069506782 518601801 /nfs/dbraw/zinc/60/18/01/518601801.db2.gz WYWYMRZAQVMCKJ-NSHDSACASA-N 1 2 274.368 2.185 10 0 CEAELO CC(C)(C)c1[nH+]c(-c2ccc(F)cc2F)c(N)n1N ZINC000052839685 519089690 /nfs/dbraw/zinc/08/96/90/519089690.db2.gz CQDRJZCXHWKTJK-UHFFFAOYSA-N 1 2 266.295 2.422 10 0 CEAELO CC(C)COC(=O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000181453966 519750051 /nfs/dbraw/zinc/75/00/51/519750051.db2.gz ICUYLWOUGIHSOK-UHFFFAOYSA-N 1 2 293.411 2.101 10 0 CEAELO CCC1=NN(c2ccccc2F)C(=O)[C@H]1CCC[NH3+] ZINC000069506798 519849566 /nfs/dbraw/zinc/84/95/66/519849566.db2.gz WJXJRZLMBUTLMF-JTQLQIEISA-N 1 2 263.316 2.293 10 0 CEAELO CC(C)c1[nH+]c(-c2ccc(F)cc2F)c(N)n1N ZINC000052839953 519858109 /nfs/dbraw/zinc/85/81/09/519858109.db2.gz FUITWQGAHWSGCX-UHFFFAOYSA-N 1 2 252.268 2.248 10 0 CEAELO CCC[NH2+][C@@H](CCO[C@H](C)CC(C)C)C(=O)OC ZINC000062544947 520003831 /nfs/dbraw/zinc/00/38/31/520003831.db2.gz KDXUAZFHZFYPBO-OLZOCXBDSA-N 1 2 259.390 2.369 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](C)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069097430 520047916 /nfs/dbraw/zinc/04/79/16/520047916.db2.gz DTOZPGVFRVQFEP-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](C)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069097430 520047925 /nfs/dbraw/zinc/04/79/25/520047925.db2.gz DTOZPGVFRVQFEP-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[NH2+][C@@](Cn1nc(C)cc1C)(C(=O)OCC)C1CC1 ZINC000069192103 520060764 /nfs/dbraw/zinc/06/07/64/520060764.db2.gz HZKUFBLMQMSVKG-MRXNPFEDSA-N 1 2 293.411 2.211 10 0 CEAELO CCC[NH2+][C@H](CCOc1cccc(OC)c1)C(=O)OCC ZINC000062548436 520079042 /nfs/dbraw/zinc/07/90/42/520079042.db2.gz HATVGROHKAINMS-OAHLLOKOSA-N 1 2 295.379 2.395 10 0 CEAELO CC[NH2+][C@@H](c1ncccn1)c1cc(C)ccc1OC ZINC000055264054 520114918 /nfs/dbraw/zinc/11/49/18/520114918.db2.gz XYLJKJZSXYHFRZ-CQSZACIVSA-N 1 2 257.337 2.493 10 0 CEAELO CCCNc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC)ccn1 ZINC000052722278 520136778 /nfs/dbraw/zinc/13/67/78/520136778.db2.gz ILAPJMGBSFYSRY-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CCCNc1cc(C[N@H+]2CCC[C@H]2C(=O)OC)ccn1 ZINC000052722278 520136780 /nfs/dbraw/zinc/13/67/80/520136780.db2.gz ILAPJMGBSFYSRY-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CC[NH2+][C@@](COc1cc(F)ccc1F)(C(=O)OC)C1CC1 ZINC000069198662 520156461 /nfs/dbraw/zinc/15/64/61/520156461.db2.gz VJVXCEYNIIIPOY-OAHLLOKOSA-N 1 2 299.317 2.275 10 0 CEAELO CC[NH2+][C@H](c1nccn1C)c1cc(F)ccc1F ZINC000069474036 520211661 /nfs/dbraw/zinc/21/16/61/520211661.db2.gz ZQKSKRUDRVFZFO-LBPRGKRZSA-N 1 2 251.280 2.397 10 0 CEAELO CC[NH2+][C@](CN(C)c1cccc(C)c1)(C(=O)OC)C1CC1 ZINC000069231365 520244328 /nfs/dbraw/zinc/24/43/28/520244328.db2.gz SFRQVQSRXJBGEG-KRWDZBQOSA-N 1 2 290.407 2.363 10 0 CEAELO CCNc1cc(CN2C(=O)c3ccccc3C2=O)cc[nH+]1 ZINC000052732490 520271610 /nfs/dbraw/zinc/27/16/10/520271610.db2.gz CNJUXOGPNAXZRE-UHFFFAOYSA-N 1 2 281.315 2.310 10 0 CEAELO CCNc1[nH+]cccc1COc1ccccc1C(N)=O ZINC000052754660 520377186 /nfs/dbraw/zinc/37/71/86/520377186.db2.gz SAKHAMLVUTWSIT-UHFFFAOYSA-N 1 2 271.320 2.191 10 0 CEAELO CCNc1snnc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000050791984 520388373 /nfs/dbraw/zinc/38/83/73/520388373.db2.gz WXIOPCPBXPHGAH-AOOOYVTPSA-N 1 2 254.403 2.448 10 0 CEAELO CCNc1snnc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000050791984 520388380 /nfs/dbraw/zinc/38/83/80/520388380.db2.gz WXIOPCPBXPHGAH-AOOOYVTPSA-N 1 2 254.403 2.448 10 0 CEAELO CCN(CC(F)(F)F)c1cc[nH+]c(C(N)=S)c1 ZINC000061813150 520423744 /nfs/dbraw/zinc/42/37/44/520423744.db2.gz XVCIWZKLBSGVIS-UHFFFAOYSA-N 1 2 263.288 2.104 10 0 CEAELO CC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1CCC[NH3+] ZINC000069506213 520895102 /nfs/dbraw/zinc/89/51/02/520895102.db2.gz SIFAAQCLQYGDGE-ZDUSSCGKSA-N 1 2 259.353 2.381 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccccc1)[NH2+]C(C)C ZINC000062550146 521062467 /nfs/dbraw/zinc/06/24/67/521062467.db2.gz SYCKPEFNNPAJII-CQSZACIVSA-N 1 2 265.353 2.385 10 0 CEAELO CCOC(=O)[C@@H](Cn1nc(C)c(Cl)c1C)[NH2+]C(C)C ZINC000050588196 521069578 /nfs/dbraw/zinc/06/95/78/521069578.db2.gz UPWGBVFSQMTWTD-LLVKDONJSA-N 1 2 287.791 2.083 10 0 CEAELO CCOC(=O)[C@H](CCn1cnc2ccccc21)[NH2+]C(C)C ZINC000062535487 521250718 /nfs/dbraw/zinc/25/07/18/521250718.db2.gz HJDOXCCPRMXPBE-AWEZNQCLSA-N 1 2 289.379 2.356 10 0 CEAELO CCOC(=O)[C@](C)(CCOc1cc(F)cc(F)c1)[NH2+]C ZINC000054934054 521320142 /nfs/dbraw/zinc/32/01/42/521320142.db2.gz GYIDRSFZODAXSA-AWEZNQCLSA-N 1 2 287.306 2.275 10 0 CEAELO CCOC(=O)[C@](C)(C[NH+]1Cc2ccccc2C1)NC(C)C ZINC000050912218 521320408 /nfs/dbraw/zinc/32/04/08/521320408.db2.gz LELNMMUAXWUANF-KRWDZBQOSA-N 1 2 290.407 2.322 10 0 CEAELO CCOC(=O)[C@](C)(CN1Cc2ccccc2C1)[NH2+]C(C)C ZINC000050912218 521320413 /nfs/dbraw/zinc/32/04/13/521320413.db2.gz LELNMMUAXWUANF-KRWDZBQOSA-N 1 2 290.407 2.322 10 0 CEAELO CCOC(=O)[C@](C)(COc1cccc(OCC)c1)[NH2+]C ZINC000051847623 521321258 /nfs/dbraw/zinc/32/12/58/521321258.db2.gz WDMVSRJYZHZFIJ-HNNXBMFYSA-N 1 2 281.352 2.005 10 0 CEAELO CCCn1ccnc1[C@@H]([NH2+]CC)c1cscn1 ZINC000062361866 521662767 /nfs/dbraw/zinc/66/27/67/521662767.db2.gz KZLOAUKCQUNDHS-NSHDSACASA-N 1 2 250.371 2.449 10 0 CEAELO CCC1(C)CC[NH+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069232489 521678609 /nfs/dbraw/zinc/67/86/09/521678609.db2.gz LKDTYQXFKZYNGP-QGZVFWFLSA-N 1 2 294.439 2.484 10 0 CEAELO CC[C@@H](C)[N@H+](CC)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069097542 522084289 /nfs/dbraw/zinc/08/42/89/522084289.db2.gz WFWCGQHTPYAHPL-IAQYHMDHSA-N 1 2 268.401 2.092 10 0 CEAELO CC[C@@H](C)[N@@H+](CC)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069097542 522084297 /nfs/dbraw/zinc/08/42/97/522084297.db2.gz WFWCGQHTPYAHPL-IAQYHMDHSA-N 1 2 268.401 2.092 10 0 CEAELO CC[C@@H](C)[C@@H]([NH2+]Cc1cc(C)n(C)c1C)C(=O)OC ZINC000052790144 522315305 /nfs/dbraw/zinc/31/53/05/522315305.db2.gz ZNECKQYMXPPFRM-QMTHXVAHSA-N 1 2 266.385 2.319 10 0 CEAELO C[NH2+][C@@](C)(CCn1cc(-c2ccccc2)cn1)C(=O)OC ZINC000054961952 522413214 /nfs/dbraw/zinc/41/32/14/522413214.db2.gz ZVUKYPPXOUCHMT-INIZCTEOSA-N 1 2 287.363 2.091 10 0 CEAELO CCc1[nH+]c2ccccc2n1CC[C@H]([NH2+]C1CC1)C(=O)[O-] ZINC000062807953 522504233 /nfs/dbraw/zinc/50/42/33/522504233.db2.gz XFAGWBKQEZQMSG-ZDUSSCGKSA-N 1 2 287.363 2.194 10 0 CEAELO CCc1[nH+]c2ccccc2n1[C@H](C)C[C@@](C)([NH3+])C(=O)[O-] ZINC000068650233 522506553 /nfs/dbraw/zinc/50/65/53/522506553.db2.gz GPFXYOMXENAZNQ-MEBBXXQBSA-N 1 2 275.352 2.352 10 0 CEAELO C[NH2+][C@](C[NH+](CC(C)C)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069100883 522525751 /nfs/dbraw/zinc/52/57/51/522525751.db2.gz BDMVTEMHBXAUIG-HNNXBMFYSA-N 1 2 270.417 2.053 10 0 CEAELO C[NH2+][C@](C[NH+]1CCC2(CCCC2)CC1)(C(=O)[O-])C1CC1 ZINC000069232572 522527239 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ZINC000068649139 524000532 /nfs/dbraw/zinc/00/05/32/524000532.db2.gz VNYFXQLAPWFJLO-HWPZZCPQSA-N 1 2 293.411 2.443 10 0 CEAELO C[C@H]1CCC[C@H]([N@H+](C)C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069131842 524202068 /nfs/dbraw/zinc/20/20/68/524202068.db2.gz UMYAFDIEBBNSAC-YLQAJVPDSA-N 1 2 294.439 2.482 10 0 CEAELO C[C@H]1CCC[C@H]([N@@H+](C)C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069131842 524202080 /nfs/dbraw/zinc/20/20/80/524202080.db2.gz UMYAFDIEBBNSAC-YLQAJVPDSA-N 1 2 294.439 2.482 10 0 CEAELO C[C@H]1C[C@H](C)CN(c2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061535280 524888842 /nfs/dbraw/zinc/88/88/42/524888842.db2.gz LLLULXFHLKSJJI-UWVGGRQHSA-N 1 2 292.774 2.193 10 0 CEAELO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C)o1 ZINC000182563224 525737594 /nfs/dbraw/zinc/73/75/94/525737594.db2.gz JLKKPAXSNIMOMH-SNVBAGLBSA-N 1 2 260.341 2.445 10 0 CEAELO Cc1csc([C@@H]2C[N@H+](Cc3cccnc3)CCO2)n1 ZINC000157056820 526423914 /nfs/dbraw/zinc/42/39/14/526423914.db2.gz AQCNYZWZWJEJQB-ZDUSSCGKSA-N 1 2 275.377 2.420 10 0 CEAELO Cc1csc([C@@H]2C[N@@H+](Cc3cccnc3)CCO2)n1 ZINC000157056820 526423920 /nfs/dbraw/zinc/42/39/20/526423920.db2.gz AQCNYZWZWJEJQB-ZDUSSCGKSA-N 1 2 275.377 2.420 10 0 CEAELO NC(=O)c1ccc(F)c(C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000051017479 527053410 /nfs/dbraw/zinc/05/34/10/527053410.db2.gz HCUQGSKBQSPGDH-UHFFFAOYSA-N 1 2 294.276 2.493 10 0 CEAELO NC(=S)c1ccc(F)cc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000069403065 527118838 /nfs/dbraw/zinc/11/88/38/527118838.db2.gz SSTCTAKMWJJCNB-UONOGXRCSA-N 1 2 294.395 2.213 10 0 CEAELO NC(=S)c1ccc(F)cc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000069403065 527118841 /nfs/dbraw/zinc/11/88/41/527118841.db2.gz SSTCTAKMWJJCNB-UONOGXRCSA-N 1 2 294.395 2.213 10 0 CEAELO [NH3+][C@@H](CO)c1nc(C2(c3ccccc3)CCCCC2)no1 ZINC000062782440 527334654 /nfs/dbraw/zinc/33/46/54/527334654.db2.gz KLRQXVLIPLQLAR-ZDUSSCGKSA-N 1 2 287.363 2.312 10 0 CEAELO OCC(F)(F)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000183893094 527522026 /nfs/dbraw/zinc/52/20/26/527522026.db2.gz MJYBONWNWMMSJJ-UHFFFAOYSA-N 1 2 278.302 2.466 10 0 CEAELO OC[C@@H]1CCC[N@@H+]1Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000050116216 527589696 /nfs/dbraw/zinc/58/96/96/527589696.db2.gz DUXSBKVYDGIOAF-LBPRGKRZSA-N 1 2 293.754 2.347 10 0 CEAELO OC[C@@H]1CCC[N@H+]1Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000050116216 527589701 /nfs/dbraw/zinc/58/97/01/527589701.db2.gz DUXSBKVYDGIOAF-LBPRGKRZSA-N 1 2 293.754 2.347 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@](=O)C[C@@H]1CCCCO1 ZINC000176877251 528609377 /nfs/dbraw/zinc/60/93/77/528609377.db2.gz IOYFVADJPGTIBH-KPZWWZAWSA-N 1 2 270.398 2.282 10 0 CEAELO CCC[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000173340197 639852129 /nfs/dbraw/zinc/85/21/29/639852129.db2.gz AIXQDUIEPHIMSD-DZGCQCFKSA-N 1 2 290.411 2.163 10 0 CEAELO CCC[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000173340197 639852135 /nfs/dbraw/zinc/85/21/35/639852135.db2.gz AIXQDUIEPHIMSD-DZGCQCFKSA-N 1 2 290.411 2.163 10 0 CEAELO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCOC1 ZINC000181182440 641519706 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/nfs/dbraw/zinc/45/85/78/395458578.db2.gz UHNWOJPGTUPKCM-UHFFFAOYSA-N 1 2 289.383 2.285 10 0 CEAELO CC[N@@H+](Cc1nnnn1C(C)C)Cc1ccc(OC)cc1 ZINC000195087796 395458580 /nfs/dbraw/zinc/45/85/80/395458580.db2.gz UHNWOJPGTUPKCM-UHFFFAOYSA-N 1 2 289.383 2.285 10 0 CEAELO Cc1ccc([C@H](O)Cc2ccc(C=O)c(C)n2)c(C)[nH+]1 ZINC000575357025 395660875 /nfs/dbraw/zinc/66/08/75/395660875.db2.gz REQZODKZUDMLRK-MRXNPFEDSA-N 1 2 270.332 2.490 10 0 CEAELO Cn1c[nH+]cc1[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000217068491 400307185 /nfs/dbraw/zinc/30/71/85/400307185.db2.gz JGWVZXQGRVTOGX-CYBMUJFWSA-N 1 2 295.383 2.101 10 0 CEAELO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000189245381 153086559 /nfs/dbraw/zinc/08/65/59/153086559.db2.gz MOSSJMZUAXVZLZ-LSDHHAIUSA-N 1 2 285.334 2.499 10 0 CEAELO CC[C@@](C)(O)C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000189245381 153086562 /nfs/dbraw/zinc/08/65/62/153086562.db2.gz MOSSJMZUAXVZLZ-LSDHHAIUSA-N 1 2 285.334 2.499 10 0 CEAELO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506518 153292949 /nfs/dbraw/zinc/29/29/49/153292949.db2.gz USQIWIQHDHIKHM-LBPRGKRZSA-N 1 2 290.411 2.036 10 0 CEAELO Cc1cnc([C@H](C)[NH2+]CC(=O)NC2CCCCCC2)o1 ZINC000230643314 153394236 /nfs/dbraw/zinc/39/42/36/153394236.db2.gz HRSGNCHYHPVISC-LBPRGKRZSA-N 1 2 279.384 2.473 10 0 CEAELO CC(C)c1csc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)n1 ZINC000262996167 154004533 /nfs/dbraw/zinc/00/45/33/154004533.db2.gz OHHYHWVKVLXLDZ-ZETCQYMHSA-N 1 2 275.324 2.202 10 0 CEAELO CCCCC[C@H](CC)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000180107345 165297121 /nfs/dbraw/zinc/29/71/21/165297121.db2.gz QQYGMAJLDGHYBF-KBPBESRZSA-N 1 2 270.417 2.040 10 0 CEAELO CCCCC[C@H](CC)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000180107345 165297124 /nfs/dbraw/zinc/29/71/24/165297124.db2.gz QQYGMAJLDGHYBF-KBPBESRZSA-N 1 2 270.417 2.040 10 0 CEAELO COCc1nc(CSCc2[nH+]ccn2C(C)C)no1 ZINC000182837989 165380964 /nfs/dbraw/zinc/38/09/64/165380964.db2.gz JRPGNMRASSXNRJ-UHFFFAOYSA-N 1 2 282.369 2.427 10 0 CEAELO O=[S@](Cc1[nH+]cc2cnccn21)c1ccccc1 ZINC000004771513 170014493 /nfs/dbraw/zinc/01/44/93/170014493.db2.gz FMJKXKFMRGLFSD-SFHVURJKSA-N 1 2 257.318 2.037 10 0 CEAELO Nc1cc(S(=O)(=O)Nc2cc[nH+]cc2)ccc1Cl ZINC000021016386 171289716 /nfs/dbraw/zinc/28/97/16/171289716.db2.gz GDRZBJPRMZSSIG-UHFFFAOYSA-N 1 2 283.740 2.118 10 0 CEAELO NC(=O)C[NH2+][C@@H](c1ccco1)c1ccc(Cl)s1 ZINC000037183951 173016483 /nfs/dbraw/zinc/01/64/83/173016483.db2.gz GTUVKCIRHHAISY-NSHDSACASA-N 1 2 270.741 2.159 10 0 CEAELO C[C@H](Sc1ccc(N)[nH+]c1)C(=O)NC1CCCC1 ZINC000037192567 173022441 /nfs/dbraw/zinc/02/24/41/173022441.db2.gz HTRLVTKBYDDUGT-VIFPVBQESA-N 1 2 265.382 2.203 10 0 CEAELO C[C@@H]1C[N@H+](CCCC(=O)c2cccs2)CCO1 ZINC000037322683 173123075 /nfs/dbraw/zinc/12/30/75/173123075.db2.gz UWZKQXIBKGXBCW-LLVKDONJSA-N 1 2 253.367 2.432 10 0 CEAELO C[C@@H]1C[N@@H+](CCCC(=O)c2cccs2)CCO1 ZINC000037322683 173123076 /nfs/dbraw/zinc/12/30/76/173123076.db2.gz UWZKQXIBKGXBCW-LLVKDONJSA-N 1 2 253.367 2.432 10 0 CEAELO CCC[C@H](C)[N@H+](C)CC(=O)c1ccc(O)cc1O ZINC000037339234 173140452 /nfs/dbraw/zinc/14/04/52/173140452.db2.gz BBECNMIXSJEFBE-JTQLQIEISA-N 1 2 251.326 2.401 10 0 CEAELO CCC[C@H](C)[N@@H+](C)CC(=O)c1ccc(O)cc1O ZINC000037339234 173140453 /nfs/dbraw/zinc/14/04/53/173140453.db2.gz BBECNMIXSJEFBE-JTQLQIEISA-N 1 2 251.326 2.401 10 0 CEAELO Cc1noc(C[NH2+][C@H]2CSCc3ccccc32)n1 ZINC000038034040 174032373 /nfs/dbraw/zinc/03/23/73/174032373.db2.gz DMRBIAILWCNBPM-LBPRGKRZSA-N 1 2 261.350 2.456 10 0 CEAELO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC000038067209 174079179 /nfs/dbraw/zinc/07/91/79/174079179.db2.gz XARVROFYRXKATM-GXFFZTMASA-N 1 2 251.326 2.297 10 0 CEAELO COc1ccc(-c2[nH]c([C@@H]3C[C@@H](OC)C[NH2+]3)nc2C)cc1 ZINC000040637669 174361786 /nfs/dbraw/zinc/36/17/86/174361786.db2.gz IKNBBIZJPMEITQ-KGLIPLIRSA-N 1 2 287.363 2.443 10 0 CEAELO Nc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000040638071 174362573 /nfs/dbraw/zinc/36/25/73/174362573.db2.gz DZCYXAQTSRGFOF-UHFFFAOYSA-N 1 2 279.303 2.102 10 0 CEAELO CCN(c1ccccc1)c1nc[nH+]c(NCCOC)c1N ZINC000040679673 174374936 /nfs/dbraw/zinc/37/49/36/174374936.db2.gz RQGLXMAZUYCRDG-UHFFFAOYSA-N 1 2 287.367 2.275 10 0 CEAELO CNc1[nH+]cnc(Nc2cccc3cccnc32)c1N ZINC000040706911 174379711 /nfs/dbraw/zinc/37/97/11/174379711.db2.gz XYVFUIRONKPQAX-UHFFFAOYSA-N 1 2 266.308 2.392 10 0 CEAELO CC[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F ZINC000041111921 174482687 /nfs/dbraw/zinc/48/26/87/174482687.db2.gz VNQOJSVYSGWSDT-GFCCVEGCSA-N 1 2 251.280 2.397 10 0 CEAELO COc1ccccc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000121416019 414785055 /nfs/dbraw/zinc/78/50/55/414785055.db2.gz GXLBHORAVQRMRA-CYBMUJFWSA-N 1 2 285.347 2.197 10 0 CEAELO Brc1cnc2c(c1)nccc2N1CCCC[NH2+]1 ZINC000400357371 414747601 /nfs/dbraw/zinc/74/76/01/414747601.db2.gz LQQQWYNJQWQXJH-UHFFFAOYSA-N 1 2 293.168 2.497 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000043637879 175083835 /nfs/dbraw/zinc/08/38/35/175083835.db2.gz GFOSXSGGGWWWRI-STQMWFEESA-N 1 2 265.353 2.304 10 0 CEAELO Clc1nccnc1NCCCCn1cc[nH+]c1 ZINC000045112746 175310334 /nfs/dbraw/zinc/31/03/34/175310334.db2.gz BSCGPZWJXQUMFR-UHFFFAOYSA-N 1 2 251.721 2.219 10 0 CEAELO Cc1[nH+]c2cc(C(=O)[O-])ccc2n1CCc1[nH+]ccn1C ZINC000045136307 175313371 /nfs/dbraw/zinc/31/33/71/175313371.db2.gz OMBSABKZZLNLPS-UHFFFAOYSA-N 1 2 284.319 2.019 10 0 CEAELO CCOC(=O)[C@@](C)(CCN(C)c1ccccc1)[NH2+]C ZINC000045227697 175333577 /nfs/dbraw/zinc/33/35/77/175333577.db2.gz FPNWQIOSHKANDQ-OAHLLOKOSA-N 1 2 264.369 2.054 10 0 CEAELO CCCC[NH+](CCCC)C[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045232679 175336143 /nfs/dbraw/zinc/33/61/43/175336143.db2.gz XJQLXJNVNWJPOK-OAHLLOKOSA-N 1 2 270.417 2.484 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@H+](C)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000045276463 175346797 /nfs/dbraw/zinc/34/67/97/175346797.db2.gz ZEEXLQHMPNGDLT-NFAWXSAZSA-N 1 2 270.417 2.338 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000045276463 175346798 /nfs/dbraw/zinc/34/67/98/175346798.db2.gz ZEEXLQHMPNGDLT-NFAWXSAZSA-N 1 2 270.417 2.338 10 0 CEAELO CCC[NH2+][C@H](CN(CC)c1ccccc1C)C(=O)OC ZINC000045369773 175363930 /nfs/dbraw/zinc/36/39/30/175363930.db2.gz TUFOAWWZBMLESA-CQSZACIVSA-N 1 2 278.396 2.363 10 0 CEAELO CCC[NH2+][C@@H](CN(CC)c1ccccc1)C(=O)OCC ZINC000045379833 175369091 /nfs/dbraw/zinc/36/90/91/175369091.db2.gz XHEDYQGJYQOQMF-HNNXBMFYSA-N 1 2 278.396 2.444 10 0 CEAELO CC[N@H+](CCC[C@@](C)([NH3+])C(=O)[O-])c1ccccc1 ZINC000045379777 175369358 /nfs/dbraw/zinc/36/93/58/175369358.db2.gz FVUFBJJUKSMTBQ-CQSZACIVSA-N 1 2 250.342 2.095 10 0 CEAELO CC[N@@H+](CCC[C@@](C)([NH3+])C(=O)[O-])c1ccccc1 ZINC000045379777 175369359 /nfs/dbraw/zinc/36/93/59/175369359.db2.gz FVUFBJJUKSMTBQ-CQSZACIVSA-N 1 2 250.342 2.095 10 0 CEAELO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CCC(F)(F)CC1 ZINC000655525449 415327444 /nfs/dbraw/zinc/32/74/44/415327444.db2.gz ITUAQNVTCHLGBC-SCZZXKLOSA-N 1 2 296.308 2.314 10 0 CEAELO CCOC(=O)[C@]1([NH2+]CCOC)CCC[C@H](CC)C1 ZINC000071126200 176035903 /nfs/dbraw/zinc/03/59/03/176035903.db2.gz NWNXRWDWFOWRRE-JSGCOSHPSA-N 1 2 257.374 2.125 10 0 CEAELO Cn1nccc1CNc1ccc2cc(N)ccc2[nH+]1 ZINC000071333518 176125919 /nfs/dbraw/zinc/12/59/19/176125919.db2.gz QOBIXHJHADJMLK-UHFFFAOYSA-N 1 2 253.309 2.163 10 0 CEAELO NC(=S)c1cc2ccccc2nc1-n1cc[nH+]c1 ZINC000071387035 176147872 /nfs/dbraw/zinc/14/78/72/176147872.db2.gz QBRVJKRVNYSFSC-UHFFFAOYSA-N 1 2 254.318 2.055 10 0 CEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](C2CCCCC2)C1 ZINC000662656313 415921933 /nfs/dbraw/zinc/92/19/33/415921933.db2.gz MNIDGMOCNOWFIN-CHWSQXEVSA-N 1 2 286.366 2.412 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCCC1CCCCC1 ZINC000077365190 177257479 /nfs/dbraw/zinc/25/74/79/177257479.db2.gz SSFQYKGPMDCMGO-OKILXGFUSA-N 1 2 282.428 2.182 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCCC1CCCCC1 ZINC000077365190 177257482 /nfs/dbraw/zinc/25/74/82/177257482.db2.gz SSFQYKGPMDCMGO-OKILXGFUSA-N 1 2 282.428 2.182 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cccc2c1OCCO2 ZINC000077367789 177258498 /nfs/dbraw/zinc/25/84/98/177258498.db2.gz FQGDAOPNSVSINI-TXEJJXNPSA-N 1 2 263.337 2.067 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cccc2c1OCCO2 ZINC000077367789 177258499 /nfs/dbraw/zinc/25/84/99/177258499.db2.gz FQGDAOPNSVSINI-TXEJJXNPSA-N 1 2 263.337 2.067 10 0 CEAELO Cc1ccccc1CN(C)C(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077368912 177259278 /nfs/dbraw/zinc/25/92/78/177259278.db2.gz BRDYSNLRLABQHJ-GASCZTMLSA-N 1 2 290.407 2.063 10 0 CEAELO Cc1ccccc1CN(C)C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077368912 177259279 /nfs/dbraw/zinc/25/92/79/177259279.db2.gz BRDYSNLRLABQHJ-GASCZTMLSA-N 1 2 290.407 2.063 10 0 CEAELO Cc1ccc2[nH+]c(CN3C[C@H](C)O[C@@H](C)C3)cn2c1 ZINC000078485982 177345746 /nfs/dbraw/zinc/34/57/46/177345746.db2.gz DNVXYSCALNTYMJ-STQMWFEESA-N 1 2 259.353 2.252 10 0 CEAELO Cc1ccc2oc(C(=O)NCCc3c[nH+]c[nH]3)cc2c1 ZINC000078742721 177380621 /nfs/dbraw/zinc/38/06/21/177380621.db2.gz RIWIKMRFEFWDMH-UHFFFAOYSA-N 1 2 269.304 2.437 10 0 CEAELO Cc1ccc2oc(C(=O)NCCc3c[nH]c[nH+]3)cc2c1 ZINC000078742721 177380622 /nfs/dbraw/zinc/38/06/22/177380622.db2.gz RIWIKMRFEFWDMH-UHFFFAOYSA-N 1 2 269.304 2.437 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1CCOCC(F)(F)C(F)(F)F ZINC000189376942 270261019 /nfs/dbraw/zinc/26/10/19/270261019.db2.gz QSHQYCJASRFCGG-RKDXNWHRSA-N 1 2 291.260 2.310 10 0 CEAELO Cn1c2ccccc2[nH+]c1N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398764511 270363207 /nfs/dbraw/zinc/36/32/07/270363207.db2.gz AANSYHDRJZRGQQ-RWMBFGLXSA-N 1 2 271.364 2.171 10 0 CEAELO CCOCC[N@@H+]1CCN(C(=O)c2ccc(C)s2)C[C@@H]1C ZINC000117275531 276321543 /nfs/dbraw/zinc/32/15/43/276321543.db2.gz UAWLFWGEVXAKIY-LBPRGKRZSA-N 1 2 296.436 2.239 10 0 CEAELO CCOCC[N@H+]1CCN(C(=O)c2ccc(C)s2)C[C@@H]1C ZINC000117275531 276321544 /nfs/dbraw/zinc/32/15/44/276321544.db2.gz UAWLFWGEVXAKIY-LBPRGKRZSA-N 1 2 296.436 2.239 10 0 CEAELO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCCCC2)o1 ZINC000230644150 279022228 /nfs/dbraw/zinc/02/22/28/279022228.db2.gz PSTFLGDJUKRFOS-QWHCGFSZSA-N 1 2 279.384 2.425 10 0 CEAELO CCOC(=O)[C@@](C)([NH3+])c1ccccc1Br ZINC000037459886 279601418 /nfs/dbraw/zinc/60/14/18/279601418.db2.gz FYXKTGDSTRJRRR-NSHDSACASA-N 1 2 272.142 2.186 10 0 CEAELO CCc1nc(C2([NH2+]CCOCC(F)F)CCCC2)no1 ZINC000189473993 280150213 /nfs/dbraw/zinc/15/02/13/280150213.db2.gz SXXZFYCQWAYXJH-UHFFFAOYSA-N 1 2 289.326 2.273 10 0 CEAELO Cc1c(Cl)cncc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000333069442 280235716 /nfs/dbraw/zinc/23/57/16/280235716.db2.gz JURZJDMJYHXYAJ-SNVBAGLBSA-N 1 2 290.754 2.441 10 0 CEAELO c1cnc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)nc1 ZINC000328640179 280499962 /nfs/dbraw/zinc/49/99/62/280499962.db2.gz XGQOPUDZFSZXHW-CYBMUJFWSA-N 1 2 269.352 2.420 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1(C)CC1)C2 ZINC000121320344 280670408 /nfs/dbraw/zinc/67/04/08/280670408.db2.gz IZOJQXUUMZINGS-UHFFFAOYSA-N 1 2 261.369 2.228 10 0 CEAELO FC(F)(F)COCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000193721633 303115262 /nfs/dbraw/zinc/11/52/62/303115262.db2.gz FZSCZOKFQNDROZ-MNOVXSKESA-N 1 2 267.291 2.209 10 0 CEAELO FC(F)(F)COCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000193721633 303115264 /nfs/dbraw/zinc/11/52/64/303115264.db2.gz FZSCZOKFQNDROZ-MNOVXSKESA-N 1 2 267.291 2.209 10 0 CEAELO C[C@@H](NC(=O)c1cn(C)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000178251119 312730070 /nfs/dbraw/zinc/73/00/70/312730070.db2.gz AUJKXVWWQXWSKU-GFCCVEGCSA-N 1 2 295.346 2.097 10 0 CEAELO CCCC[N@H+](CC)C[C@]([NH2+]CCC)(C(=O)[O-])C1CC1 ZINC000069090240 520479830 /nfs/dbraw/zinc/47/98/30/520479830.db2.gz JAPOIMIOONMNFQ-OAHLLOKOSA-N 1 2 270.417 2.341 10 0 CEAELO CCCC[N@@H+](CC)C[C@]([NH2+]CCC)(C(=O)[O-])C1CC1 ZINC000069090240 520479837 /nfs/dbraw/zinc/47/98/37/520479837.db2.gz JAPOIMIOONMNFQ-OAHLLOKOSA-N 1 2 270.417 2.341 10 0 CEAELO CC1=NN(c2ccc(F)cc2F)C(=O)[C@H]1CCC[NH3+] ZINC000069506013 520895522 /nfs/dbraw/zinc/89/55/22/520895522.db2.gz XFZZXMKOYBBSPY-JTQLQIEISA-N 1 2 267.279 2.042 10 0 CEAELO CCC[N@@H+](CC1CC1)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069131900 521624992 /nfs/dbraw/zinc/62/49/92/521624992.db2.gz VIQWRXRCQQJVAH-INIZCTEOSA-N 1 2 280.412 2.094 10 0 CEAELO CC(C)(C)C1=NN(Cc2ccccc2)C(=O)[C@H]1CC[NH3+] ZINC000069506074 518601546 /nfs/dbraw/zinc/60/15/46/518601546.db2.gz PATYNPCLZPCVPX-ZDUSSCGKSA-N 1 2 273.380 2.396 10 0 CEAELO CC(C)(C)c1[nH]n(Cc2ccccc2)c(=O)c1CC[NH3+] ZINC000069506074 518601557 /nfs/dbraw/zinc/60/15/57/518601557.db2.gz PATYNPCLZPCVPX-ZDUSSCGKSA-N 1 2 273.380 2.396 10 0 CEAELO CC(C)C[C@H](C[NH+](C)C)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000049560411 519345286 /nfs/dbraw/zinc/34/52/86/519345286.db2.gz PPTCADIHXRUQPO-GFCCVEGCSA-N 1 2 265.357 2.168 10 0 CEAELO CC(C)c1[nH]n(C2CCCCC2)c(=O)c1CC[NH3+] ZINC000069506575 519559066 /nfs/dbraw/zinc/55/90/66/519559066.db2.gz UHCYWNKSLSIVLO-LBPRGKRZSA-N 1 2 251.374 2.138 10 0 CEAELO CC(C)[NH2+][C@@](C[N@@H+]1CCCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069093833 519737159 /nfs/dbraw/zinc/73/71/59/519737159.db2.gz UQUKDFMMYFAFAV-SWLSCSKDSA-N 1 2 268.401 2.092 10 0 CEAELO CC(C)[NH2+][C@@](C[N@H+]1CCCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069093833 519737162 /nfs/dbraw/zinc/73/71/62/519737162.db2.gz UQUKDFMMYFAFAV-SWLSCSKDSA-N 1 2 268.401 2.092 10 0 CEAELO CCCNC(=O)[C@H](C)NC1=[NH+][C@H](CC(C)C)CS1 ZINC000049221946 519892619 /nfs/dbraw/zinc/89/26/19/519892619.db2.gz BQGULSLAIFIJBV-WDEREUQCSA-N 1 2 271.430 2.008 10 0 CEAELO CCC[NH2+][C@@H](Cn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062808047 520015894 /nfs/dbraw/zinc/01/58/94/520015894.db2.gz RWGYHVIDIZNWGN-LBPRGKRZSA-N 1 2 275.352 2.052 10 0 CEAELO CC[NH2+][C@@H](CCN1c2ccccc2CC[C@@H]1C)C(=O)OC ZINC000062436797 520090897 /nfs/dbraw/zinc/09/08/97/520090897.db2.gz CCCXKYRZQGNDIB-ZFWWWQNUSA-N 1 2 290.407 2.369 10 0 CEAELO CC[NH2+][C@@H](CCO[C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000062543806 520090943 /nfs/dbraw/zinc/09/09/43/520090943.db2.gz YBGVSDRMMNPVHG-AVGNSLFASA-N 1 2 257.374 2.123 10 0 CEAELO CCCNc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OC)ccn1 ZINC000052722274 520136297 /nfs/dbraw/zinc/13/62/97/520136297.db2.gz ILAPJMGBSFYSRY-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO CCCNc1cc(C[N@H+]2CCC[C@@H]2C(=O)OC)ccn1 ZINC000052722274 520136302 /nfs/dbraw/zinc/13/63/02/520136302.db2.gz ILAPJMGBSFYSRY-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)Oc1cccc(OC)c1)C(=O)OC ZINC000068655570 520141126 /nfs/dbraw/zinc/14/11/26/520141126.db2.gz KGNJDEIVKBTPPQ-WBMJQRKESA-N 1 2 295.379 2.394 10 0 CEAELO CC[NH2+][C@@](C)(Cn1cc(-c2ccccc2)cn1)C(=O)OC ZINC000054961903 520147814 /nfs/dbraw/zinc/14/78/14/520147814.db2.gz NBGKSBGJLSOPRL-INIZCTEOSA-N 1 2 287.363 2.091 10 0 CEAELO CC[NH2+][C@@](C[N@H+](CC)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069091251 520151109 /nfs/dbraw/zinc/15/11/09/520151109.db2.gz ZZJVXJNALGTZGO-MRXNPFEDSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@@](C[N@@H+](CC)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069091251 520151116 /nfs/dbraw/zinc/15/11/16/520151116.db2.gz ZZJVXJNALGTZGO-MRXNPFEDSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000068641948 520240264 /nfs/dbraw/zinc/24/02/64/520240264.db2.gz RNLNYLPLWGFBCI-BLLLJJGKSA-N 1 2 276.380 2.234 10 0 CEAELO CCNc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OCC)cn1 ZINC000050814292 520301360 /nfs/dbraw/zinc/30/13/60/520301360.db2.gz NCUWCUODLZOTJV-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CCNc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OCC)cn1 ZINC000050814292 520301367 /nfs/dbraw/zinc/30/13/67/520301367.db2.gz NCUWCUODLZOTJV-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CCNc1[nH+]cnc2c1cnn2[C@H]1CCCCC[C@H]1O ZINC000062367196 520382920 /nfs/dbraw/zinc/38/29/20/520382920.db2.gz LAGSUIMYRZSOBP-NWDGAFQWSA-N 1 2 275.356 2.124 10 0 CEAELO CCCOc1ccc(OCC[C@H]([NH2+]C)C(=O)OC)cc1 ZINC000062594379 520408518 /nfs/dbraw/zinc/40/85/18/520408518.db2.gz YBHULPMRTUYNOD-AWEZNQCLSA-N 1 2 281.352 2.005 10 0 CEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000184260909 520593919 /nfs/dbraw/zinc/59/39/19/520593919.db2.gz QUEBNJNUOYCPCD-KBPBESRZSA-N 1 2 294.395 2.266 10 0 CEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000184260909 520593926 /nfs/dbraw/zinc/59/39/26/520593926.db2.gz QUEBNJNUOYCPCD-KBPBESRZSA-N 1 2 294.395 2.266 10 0 CEAELO CCOC(=O)[C@@H](CCOc1c(C)cccc1C)[NH2+]C ZINC000062547437 521060073 /nfs/dbraw/zinc/06/00/73/521060073.db2.gz WYFWJTUNGMFSND-CYBMUJFWSA-N 1 2 265.353 2.223 10 0 CEAELO CCOC(=O)[C@@H](CCn1ncc2ccccc21)[NH2+]C(C)C ZINC000062538031 521061904 /nfs/dbraw/zinc/06/19/04/521061904.db2.gz JNMLXWGECYNBLP-CQSZACIVSA-N 1 2 289.379 2.356 10 0 CEAELO CCOC(=O)[C@@](C)(C[NH+]1Cc2ccccc2C1)NC1CC1 ZINC000050912223 521148278 /nfs/dbraw/zinc/14/82/78/521148278.db2.gz VOTQTQGAKPJZNF-QGZVFWFLSA-N 1 2 288.391 2.076 10 0 CEAELO CCC[N@H+](CC1CC1)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069131900 521624988 /nfs/dbraw/zinc/62/49/88/521624988.db2.gz VIQWRXRCQQJVAH-INIZCTEOSA-N 1 2 280.412 2.094 10 0 CEAELO CCC[NH+](CCC)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069095593 521647642 /nfs/dbraw/zinc/64/76/42/521647642.db2.gz ZSROQCAZTAVIGV-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CCC1(C)CC[NH+](C[C@@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069232490 521678529 /nfs/dbraw/zinc/67/85/29/521678529.db2.gz LKDTYQXFKZYNGP-KRWDZBQOSA-N 1 2 294.439 2.484 10 0 CEAELO CN(C)c1ccc(-c2nc(N)c3c([nH+]2)CCC3)cc1 ZINC000050866094 522124867 /nfs/dbraw/zinc/12/48/67/522124867.db2.gz BLKQSHUATZNTMC-UHFFFAOYSA-N 1 2 254.337 2.281 10 0 CEAELO CC[C@@H](C)N1CC[NH+]([C@H]2CNc3ccccc3C2)CC1 ZINC000055067308 522130782 /nfs/dbraw/zinc/13/07/82/522130782.db2.gz XTQVVGRXUMDJHC-GDBMZVCRSA-N 1 2 273.424 2.439 10 0 CEAELO C[NH2+][C@@H](CCSc1ccccc1C)C(=O)OC ZINC000062600772 522350970 /nfs/dbraw/zinc/35/09/70/522350970.db2.gz YAXKMSJOOFCWHW-NSHDSACASA-N 1 2 253.367 2.238 10 0 CEAELO C[NH2+][C@@H](CCO[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)OC ZINC000062542890 522346876 /nfs/dbraw/zinc/34/68/76/522346876.db2.gz HADSJGDRLQYXNI-AGIUHOORSA-N 1 2 271.401 2.369 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)n1c(C)[nH+]c2ccccc21)C(=O)[O-] ZINC000068648802 522418620 /nfs/dbraw/zinc/41/86/20/522418620.db2.gz JJECPUYLQQIPIY-BMIGLBTASA-N 1 2 275.352 2.359 10 0 CEAELO C[NH2+][C@@](Cn1c[nH+]c2cc(C)c(C)cc21)(C(=O)[O-])C1CC1 ZINC000069191735 522434887 /nfs/dbraw/zinc/43/48/87/522434887.db2.gz PWMRLRSDGCXKEM-MRXNPFEDSA-N 1 2 287.363 2.106 10 0 CEAELO C[NH2+][C@H](CCSc1ccc(F)c(F)c1)C(=O)OC ZINC000062596885 522464148 /nfs/dbraw/zinc/46/41/48/522464148.db2.gz PAINSMBMHJAMGP-LLVKDONJSA-N 1 2 275.320 2.208 10 0 CEAELO C[NH2+][C@](Cn1cc[nH+]c1-c1ccccc1)(C(=O)[O-])C1CC1 ZINC000069192749 522535195 /nfs/dbraw/zinc/53/51/95/522535195.db2.gz ITDOCVNITUUNSQ-INIZCTEOSA-N 1 2 285.347 2.003 10 0 CEAELO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)Nc2cnoc2)c1 ZINC000061685646 522806851 /nfs/dbraw/zinc/80/68/51/522806851.db2.gz BKIINOWJGBPCQA-CYBMUJFWSA-N 1 2 295.364 2.146 10 0 CEAELO CN(Cc1ccccc1)c1cc[nH+]c(C(N)=S)c1 ZINC000061812075 523354492 /nfs/dbraw/zinc/35/44/92/523354492.db2.gz TXRIURVTSWNFJO-UHFFFAOYSA-N 1 2 257.362 2.352 10 0 CEAELO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nc(N)ccc1Cl ZINC000061638801 523517828 /nfs/dbraw/zinc/51/78/28/523517828.db2.gz IDELXNHXOSQTBQ-NXEZZACHSA-N 1 2 269.776 2.317 10 0 CEAELO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nc(N)ccc1Cl ZINC000061638801 523517830 /nfs/dbraw/zinc/51/78/30/523517830.db2.gz IDELXNHXOSQTBQ-NXEZZACHSA-N 1 2 269.776 2.317 10 0 CEAELO CCn1cc[nH+]c1CN1C(=O)C(=O)c2cc(C)cc(C)c21 ZINC000054743659 523527956 /nfs/dbraw/zinc/52/79/56/523527956.db2.gz ARWWLGQUSPWYJU-UHFFFAOYSA-N 1 2 283.331 2.249 10 0 CEAELO C[N@@H+](Cc1nc2sccc2c(N)n1)C[C@H]1CCCCO1 ZINC000050815044 523572672 /nfs/dbraw/zinc/57/26/72/523572672.db2.gz BUKOUWIHSPIZPX-SNVBAGLBSA-N 1 2 292.408 2.274 10 0 CEAELO C[N@H+](Cc1nc2sccc2c(N)n1)C[C@H]1CCCCO1 ZINC000050815044 523572679 /nfs/dbraw/zinc/57/26/79/523572679.db2.gz BUKOUWIHSPIZPX-SNVBAGLBSA-N 1 2 292.408 2.274 10 0 CEAELO COC(=O)[C@@H](CCN(C)c1ccccc1C)[NH2+]C(C)C ZINC000062529397 523573137 /nfs/dbraw/zinc/57/31/37/523573137.db2.gz PYXZIWRQRCIPDK-CQSZACIVSA-N 1 2 278.396 2.361 10 0 CEAELO CN(c1ccccc1)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061535474 523653229 /nfs/dbraw/zinc/65/32/29/523653229.db2.gz MTDXEZAFEUVXSW-UHFFFAOYSA-N 1 2 286.726 2.479 10 0 CEAELO COC(=O)[C@@](COc1ccccc1)([NH2+]C1CC1)C1CC1 ZINC000069197622 523822679 /nfs/dbraw/zinc/82/26/79/523822679.db2.gz FOJCDGLPDXDYQL-INIZCTEOSA-N 1 2 275.348 2.139 10 0 CEAELO c1ccc2sc(C[NH2+]Cc3cncnc3)nc2c1 ZINC000054767096 526520438 /nfs/dbraw/zinc/52/04/38/526520438.db2.gz MBUFVFHUOLCIEJ-UHFFFAOYSA-N 1 2 256.334 2.376 10 0 CEAELO Cc1[nH]c(CNc2ccc(-c3nncn3C)cc2)c[nH+]1 ZINC000054821801 526896413 /nfs/dbraw/zinc/89/64/13/526896413.db2.gz MLGPRTYFGDACBR-UHFFFAOYSA-N 1 2 268.324 2.126 10 0 CEAELO Cc1[nH]cc(CNc2ccc(-c3nncn3C)cc2)[nH+]1 ZINC000054821801 526896416 /nfs/dbraw/zinc/89/64/16/526896416.db2.gz MLGPRTYFGDACBR-UHFFFAOYSA-N 1 2 268.324 2.126 10 0 CEAELO Clc1nc(Cl)nc(NCCCCn2cc[nH+]c2)n1 ZINC000061519044 527003623 /nfs/dbraw/zinc/00/36/23/527003623.db2.gz IPCDIZQAETUXEN-UHFFFAOYSA-N 1 2 287.154 2.267 10 0 CEAELO O=C(N[C@H]1CCC[C@@H]1n1cc[nH+]c1)c1cccc(Cl)n1 ZINC000051073613 527035715 /nfs/dbraw/zinc/03/57/15/527035715.db2.gz RCVYJUCZQLAUFM-JQWIXIFHSA-N 1 2 290.754 2.455 10 0 CEAELO NC(=S)c1cc(NCc2ccccc2F)cc[nH+]1 ZINC000061812171 527116034 /nfs/dbraw/zinc/11/60/34/527116034.db2.gz ILVAVQUZNLTMMY-UHFFFAOYSA-N 1 2 261.325 2.467 10 0 CEAELO NC(=S)c1cc(NCCc2ccc(O)cc2)cc[nH+]1 ZINC000061812731 527116044 /nfs/dbraw/zinc/11/60/44/527116044.db2.gz CWEMSJLRPCISTA-UHFFFAOYSA-N 1 2 273.361 2.076 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccc2c(c1)CCC(=O)N2 ZINC000054796057 527215163 /nfs/dbraw/zinc/21/51/63/527215163.db2.gz RDBMCLWZQBUWQZ-UHFFFAOYSA-N 1 2 256.309 2.215 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccc(C(=O)N(C)C)cc1 ZINC000054794924 527215588 /nfs/dbraw/zinc/21/55/88/527215588.db2.gz KVFIQSLXUZHCAR-UHFFFAOYSA-N 1 2 258.325 2.032 10 0 CEAELO [NH3+][C@H](c1nnc([C@H]2CCCCO2)o1)c1ccccc1 ZINC000050973767 527393193 /nfs/dbraw/zinc/39/31/93/527393193.db2.gz ACDMEBLFWIHETJ-NEPJUHHUSA-N 1 2 259.309 2.359 10 0 CEAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccncc2)C1 ZINC000151507384 527441463 /nfs/dbraw/zinc/44/14/63/527441463.db2.gz YSBTVYSLYQIRHE-CYBMUJFWSA-N 1 2 299.378 2.302 10 0 CEAELO Nc1ccc(F)cc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061940714 527489777 /nfs/dbraw/zinc/48/97/77/527489777.db2.gz LJUZUGVSVGUIIC-UHFFFAOYSA-N 1 2 291.292 2.088 10 0 CEAELO Nc1ccc(NC(=O)c2c[nH]c3ccccc32)c[nH+]1 ZINC000061680398 527493166 /nfs/dbraw/zinc/49/31/66/527493166.db2.gz BGTQWZDQAZCVMY-UHFFFAOYSA-N 1 2 252.277 2.397 10 0 CEAELO Nc1ccccc1NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000050909780 527528772 /nfs/dbraw/zinc/52/87/72/527528772.db2.gz BAMNFZUHHZYYFX-UHFFFAOYSA-N 1 2 267.332 2.223 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)Cc1cccc(Cl)c1 ZINC000062725816 527536860 /nfs/dbraw/zinc/53/68/60/527536860.db2.gz WOPPADLIBYGOQO-UHFFFAOYSA-N 1 2 261.712 2.498 10 0 CEAELO CC[C@H](C)NC(=O)[C@H](C)[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000177937263 529176218 /nfs/dbraw/zinc/17/62/18/529176218.db2.gz OASSBYXBJUZUPB-PVUDRZGPSA-N 1 2 299.440 2.016 10 0 CEAELO CCn1cc([C@@H]2C[N@H+](Cc3c(C)noc3C)CCO2)cn1 ZINC000191697016 536090732 /nfs/dbraw/zinc/09/07/32/536090732.db2.gz BDOQVRWLPOWGNA-HNNXBMFYSA-N 1 2 290.367 2.081 10 0 CEAELO CCn1cc([C@@H]2C[N@@H+](Cc3c(C)noc3C)CCO2)cn1 ZINC000191697016 536090738 /nfs/dbraw/zinc/09/07/38/536090738.db2.gz BDOQVRWLPOWGNA-HNNXBMFYSA-N 1 2 290.367 2.081 10 0 CEAELO Cc1cnc(=S)n(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000132395005 652517735 /nfs/dbraw/zinc/51/77/35/652517735.db2.gz GENPBLLJFZFQHH-ZDUSSCGKSA-N 1 2 289.408 2.449 10 0 CEAELO Cc1cnc(=S)n(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000132395005 652517738 /nfs/dbraw/zinc/51/77/38/652517738.db2.gz GENPBLLJFZFQHH-ZDUSSCGKSA-N 1 2 289.408 2.449 10 0 CEAELO COC(=O)[C@@H](c1ccc(Br)cc1)[NH+](C)C ZINC000095532579 185005353 /nfs/dbraw/zinc/00/53/53/185005353.db2.gz ORBPQCYVSLKLFT-SNVBAGLBSA-N 1 2 272.142 2.225 10 0 CEAELO CC[C@@H](C)NC(=O)CCc1c(C)[nH+]c2ccccn21 ZINC000096771761 185112126 /nfs/dbraw/zinc/11/21/26/185112126.db2.gz OYMXPZNJPSVJRE-LLVKDONJSA-N 1 2 259.353 2.490 10 0 CEAELO CC(C)(C)OC(=O)[C@H]([NH3+])[C@H](O)c1ccc(Cl)c(F)c1 ZINC000725263929 539212366 /nfs/dbraw/zinc/21/23/66/539212366.db2.gz VMACWTFORDURDU-GHMZBOCLSA-N 1 2 289.734 2.182 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CCCCC1)C2 ZINC000220584162 539258698 /nfs/dbraw/zinc/25/86/98/539258698.db2.gz RZGKKGOGUPZXJM-NSHDSACASA-N 1 2 261.369 2.272 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CCCCC1)CC2 ZINC000220584162 539258699 /nfs/dbraw/zinc/25/86/99/539258699.db2.gz RZGKKGOGUPZXJM-NSHDSACASA-N 1 2 261.369 2.272 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccccc1)C2 ZINC000220589489 539258716 /nfs/dbraw/zinc/25/87/16/539258716.db2.gz FVLBZFKBAXFQHL-NSHDSACASA-N 1 2 255.321 2.462 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccccc1)CC2 ZINC000220589489 539258717 /nfs/dbraw/zinc/25/87/17/539258717.db2.gz FVLBZFKBAXFQHL-NSHDSACASA-N 1 2 255.321 2.462 10 0 CEAELO CCc1cc(N)cc(Br)c1N1CC[NH+](C)CC1 ZINC000226315957 136386958 /nfs/dbraw/zinc/38/69/58/136386958.db2.gz VJOQPPOKYWEWBJ-UHFFFAOYSA-N 1 2 298.228 2.346 10 0 CEAELO CCCn1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)cn1 ZINC000128188267 187356454 /nfs/dbraw/zinc/35/64/54/187356454.db2.gz LVKQHDDHPAXSRO-UHFFFAOYSA-N 1 2 273.384 2.396 10 0 CEAELO CCn1cc[nH+]c1CNc1ccccc1C(=O)N(C)C ZINC000051923067 362451498 /nfs/dbraw/zinc/45/14/98/362451498.db2.gz OGQRWDSMULXYEU-UHFFFAOYSA-N 1 2 272.352 2.217 10 0 CEAELO c1ccc(CCNc2cc(N[C@@H]3CCCOC3)nc[nH+]2)nc1 ZINC000328650629 344757918 /nfs/dbraw/zinc/75/79/18/344757918.db2.gz VOZSSAURUWKSEE-CQSZACIVSA-N 1 2 299.378 2.117 10 0 CEAELO c1ccc(CCNc2cc(N[C@@H]3CCCOC3)[nH+]cn2)nc1 ZINC000328650629 344757922 /nfs/dbraw/zinc/75/79/22/344757922.db2.gz VOZSSAURUWKSEE-CQSZACIVSA-N 1 2 299.378 2.117 10 0 CEAELO CC[C@@H]1CCN(c2cc(N[C@H]3CCCOC3)[nH+]cn2)C1 ZINC000328624842 344756619 /nfs/dbraw/zinc/75/66/19/344756619.db2.gz CQSMPWCTCKPROX-OLZOCXBDSA-N 1 2 276.384 2.304 10 0 CEAELO CC[C@@H]1CCN(c2cc(N[C@H]3CCCOC3)nc[nH+]2)C1 ZINC000328624842 344756621 /nfs/dbraw/zinc/75/66/21/344756621.db2.gz CQSMPWCTCKPROX-OLZOCXBDSA-N 1 2 276.384 2.304 10 0 CEAELO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000171702972 232269641 /nfs/dbraw/zinc/26/96/41/232269641.db2.gz AYRLPMLXLODUOS-LBPRGKRZSA-N 1 2 264.394 2.371 10 0 CEAELO Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)cc1 ZINC000171702972 232269642 /nfs/dbraw/zinc/26/96/42/232269642.db2.gz AYRLPMLXLODUOS-LBPRGKRZSA-N 1 2 264.394 2.371 10 0 CEAELO CC[C@](C)([C@H](NN)c1ccc(C)cc1C)[NH+]1CCOCC1 ZINC000097585801 185631816 /nfs/dbraw/zinc/63/18/16/185631816.db2.gz WREIPLZVGNHXOC-IAGOWNOFSA-N 1 2 291.439 2.309 10 0 CEAELO CCOC1([C@@H](NN)c2c[nH+]ccc2N)CCC(C)CC1 ZINC000097664970 185648600 /nfs/dbraw/zinc/64/86/00/185648600.db2.gz DXYJTYKOFPZSAN-WPBUFGDCSA-N 1 2 278.400 2.154 10 0 CEAELO C[C@@H]1C[S@](=O)C[C@H](c2cccc(Br)c2)[NH2+]1 ZINC000085311862 179013747 /nfs/dbraw/zinc/01/37/47/179013747.db2.gz OWOLJPJOBXYKCB-BGFNQPPGSA-N 1 2 288.210 2.231 10 0 CEAELO CCCn1cc[nH+]c1[C@@H](NN)c1ccccc1OC(F)F ZINC000097736081 185659034 /nfs/dbraw/zinc/65/90/34/185659034.db2.gz MKTFHTSNKYAOIW-LBPRGKRZSA-N 1 2 296.321 2.447 10 0 CEAELO CCNc1nc(CC)[nH+]c(C)c1I ZINC000085459804 179068966 /nfs/dbraw/zinc/06/89/66/179068966.db2.gz IMKDTGHRYNSXQF-UHFFFAOYSA-N 1 2 291.136 2.384 10 0 CEAELO COC(=O)[C@H]1C[C@@H](Oc2ccc(C(C)C)cc2)C[NH2+]1 ZINC000098088905 185685448 /nfs/dbraw/zinc/68/54/48/185685448.db2.gz UJRYTGOAFWVVKF-ZIAGYGMSSA-N 1 2 263.337 2.092 10 0 CEAELO CNc1nc(C[NH+](C)C)nc(C(C)C)c1Br ZINC000085801341 179173578 /nfs/dbraw/zinc/17/35/78/179173578.db2.gz CMTGWKLHFZIDAC-UHFFFAOYSA-N 1 2 287.205 2.466 10 0 CEAELO [NH3+][C@@]1(c2nc(Cc3c(F)cccc3Cl)no2)CCOC1 ZINC000085852234 179188666 /nfs/dbraw/zinc/18/86/66/179188666.db2.gz WYZCIYOGSGEUNX-ZDUSSCGKSA-N 1 2 297.717 2.027 10 0 CEAELO Cc1cc([NH2+][C@H]2CCCOCC2)ccc1NS(C)(=O)=O ZINC000086872848 179364578 /nfs/dbraw/zinc/36/45/78/179364578.db2.gz IQJWBIFAQAWUIX-LBPRGKRZSA-N 1 2 298.408 2.348 10 0 CEAELO C[NH2+][C@H](c1nccn1C)c1c(F)cc(F)cc1F ZINC000086998605 179377925 /nfs/dbraw/zinc/37/79/25/179377925.db2.gz XFFNMPZJGONOPH-NSHDSACASA-N 1 2 255.243 2.146 10 0 CEAELO CC(C)(C)OC(=O)C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063433 179390271 /nfs/dbraw/zinc/39/02/71/179390271.db2.gz RNABZUSRJCDQEF-UHFFFAOYSA-N 1 2 271.401 2.249 10 0 CEAELO CCOC(=O)c1cccc([C@@H]2COCC[N@@H+]2CC)c1 ZINC000616642045 348544562 /nfs/dbraw/zinc/54/45/62/348544562.db2.gz UAQHINDPWIKHRH-AWEZNQCLSA-N 1 2 263.337 2.257 10 0 CEAELO CCOC(=O)c1cccc([C@@H]2COCC[N@H+]2CC)c1 ZINC000616642045 348544566 /nfs/dbraw/zinc/54/45/66/348544566.db2.gz UAQHINDPWIKHRH-AWEZNQCLSA-N 1 2 263.337 2.257 10 0 CEAELO c1ccc(C[N@@H+]2CCO[C@H](c3ccnnc3)C2)cc1 ZINC000616642882 348544813 /nfs/dbraw/zinc/54/48/13/348544813.db2.gz MMZGKEKELMQDTO-HNNXBMFYSA-N 1 2 255.321 2.050 10 0 CEAELO c1ccc(C[N@H+]2CCO[C@H](c3ccnnc3)C2)cc1 ZINC000616642882 348544817 /nfs/dbraw/zinc/54/48/17/348544817.db2.gz MMZGKEKELMQDTO-HNNXBMFYSA-N 1 2 255.321 2.050 10 0 CEAELO c1ccc(C[N@@H+]2CCO[C@H](c3ccncn3)C2)cc1 ZINC000616643122 348544837 /nfs/dbraw/zinc/54/48/37/348544837.db2.gz VKIURNBBKOAAKI-HNNXBMFYSA-N 1 2 255.321 2.050 10 0 CEAELO c1ccc(C[N@H+]2CCO[C@H](c3ccncn3)C2)cc1 ZINC000616643122 348544839 /nfs/dbraw/zinc/54/48/39/348544839.db2.gz VKIURNBBKOAAKI-HNNXBMFYSA-N 1 2 255.321 2.050 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1c1ccon1 ZINC000616608468 348532937 /nfs/dbraw/zinc/53/29/37/348532937.db2.gz TWWVEHUWYNAQGO-GFCCVEGCSA-N 1 2 281.356 2.336 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1c1ccon1 ZINC000616608468 348532938 /nfs/dbraw/zinc/53/29/38/348532938.db2.gz TWWVEHUWYNAQGO-GFCCVEGCSA-N 1 2 281.356 2.336 10 0 CEAELO c1csc([C@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000130437306 365957673 /nfs/dbraw/zinc/95/76/73/365957673.db2.gz ICAZKITXCNLQPX-GFCCVEGCSA-N 1 2 261.350 2.112 10 0 CEAELO c1csc([C@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000130437306 365957675 /nfs/dbraw/zinc/95/76/75/365957675.db2.gz ICAZKITXCNLQPX-GFCCVEGCSA-N 1 2 261.350 2.112 10 0 CEAELO Nc1ccc(Cl)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905597 180059960 /nfs/dbraw/zinc/05/99/60/180059960.db2.gz MHFODLHZMXEDBF-TXEJJXNPSA-N 1 2 252.745 2.285 10 0 CEAELO Nc1ccc(Cl)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905597 180059963 /nfs/dbraw/zinc/05/99/63/180059963.db2.gz MHFODLHZMXEDBF-TXEJJXNPSA-N 1 2 252.745 2.285 10 0 CEAELO CC[C@@H](C)[C@@H]([NH2+]Cc1sccc1N)C(=O)OC ZINC000090959918 180075605 /nfs/dbraw/zinc/07/56/05/180075605.db2.gz SQWQNXZZFKOBNB-LDYMZIIASA-N 1 2 256.371 2.008 10 0 CEAELO COC(=O)[C@H](NCc1ccccc1)c1c[nH+]cn1C(C)C ZINC000091272648 180117820 /nfs/dbraw/zinc/11/78/20/180117820.db2.gz SNQGEEMLPGRFRT-OAHLLOKOSA-N 1 2 287.363 2.468 10 0 CEAELO COc1ccc([C@@H](O)c2c[nH+]cn2C2CC2)cc1OC ZINC000091277547 180119990 /nfs/dbraw/zinc/11/99/90/180119990.db2.gz CYCWSBIGADINRL-OAHLLOKOSA-N 1 2 274.320 2.317 10 0 CEAELO Cc1ccc(-c2nc(C[NH+]3CC(CO)C3)co2)cc1 ZINC000091487489 180167808 /nfs/dbraw/zinc/16/78/08/180167808.db2.gz AONZQBAGTMOMTQ-UHFFFAOYSA-N 1 2 258.321 2.074 10 0 CEAELO Cc1cnc(Cl)nc1N[C@H](C)Cn1cc[nH+]c1 ZINC000091658492 180218738 /nfs/dbraw/zinc/21/87/38/180218738.db2.gz NYZIZMYGEXEDHW-SECBINFHSA-N 1 2 251.721 2.136 10 0 CEAELO CCCc1ccccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105282340 186050128 /nfs/dbraw/zinc/05/01/28/186050128.db2.gz IHGKWLDMEQNWCI-AWEZNQCLSA-N 1 2 291.395 2.091 10 0 CEAELO CCCc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105282340 186050129 /nfs/dbraw/zinc/05/01/29/186050129.db2.gz IHGKWLDMEQNWCI-AWEZNQCLSA-N 1 2 291.395 2.091 10 0 CEAELO CCc1cccc(C)c1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105280875 186050514 /nfs/dbraw/zinc/05/05/14/186050514.db2.gz NKOTVMZRMAIVRI-AWEZNQCLSA-N 1 2 291.395 2.010 10 0 CEAELO CCc1cccc(C)c1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105280875 186050515 /nfs/dbraw/zinc/05/05/15/186050515.db2.gz NKOTVMZRMAIVRI-AWEZNQCLSA-N 1 2 291.395 2.010 10 0 CEAELO C[N@@H+]1CCO[C@H](C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000091688529 180227051 /nfs/dbraw/zinc/22/70/51/180227051.db2.gz SACWVEOYGHISPC-ZDUSSCGKSA-N 1 2 287.281 2.148 10 0 CEAELO C[N@H+]1CCO[C@H](C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000091688529 180227052 /nfs/dbraw/zinc/22/70/52/180227052.db2.gz SACWVEOYGHISPC-ZDUSSCGKSA-N 1 2 287.281 2.148 10 0 CEAELO C[NH+](C)Cc1noc(-c2ccc(Br)cc2O)n1 ZINC000091747879 180245097 /nfs/dbraw/zinc/24/50/97/180245097.db2.gz JHNOKVZQFRDIRA-UHFFFAOYSA-N 1 2 298.140 2.266 10 0 CEAELO CC[N@@H+]1CCO[C@@H](COc2ccc(C)cc2C(C)=O)C1 ZINC000092056602 180314569 /nfs/dbraw/zinc/31/45/69/180314569.db2.gz JIRGVEQWZVDRDA-CQSZACIVSA-N 1 2 277.364 2.297 10 0 CEAELO CC[N@H+]1CCO[C@@H](COc2ccc(C)cc2C(C)=O)C1 ZINC000092056602 180314570 /nfs/dbraw/zinc/31/45/70/180314570.db2.gz JIRGVEQWZVDRDA-CQSZACIVSA-N 1 2 277.364 2.297 10 0 CEAELO COC(=O)[C@@H]([NH2+]C[C@@H]1Cc2ccccc2S1)C(C)C ZINC000092242524 180351255 /nfs/dbraw/zinc/35/12/55/180351255.db2.gz OFYPSCZLIVVNCF-JSGCOSHPSA-N 1 2 279.405 2.491 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300423 180358931 /nfs/dbraw/zinc/35/89/31/180358931.db2.gz UQAPIWAFMQEWAY-JSGCOSHPSA-N 1 2 277.364 2.340 10 0 CEAELO C[C@@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)c1ccccc1Cl ZINC000105879273 186082220 /nfs/dbraw/zinc/08/22/20/186082220.db2.gz TVXYZHOAULAVDN-NXEZZACHSA-N 1 2 271.769 2.301 10 0 CEAELO COc1nc2sccn2c1C[NH2+]Cc1c(C)noc1C ZINC000092329007 180363521 /nfs/dbraw/zinc/36/35/21/180363521.db2.gz XQBUZNLRQWXVPV-UHFFFAOYSA-N 1 2 292.364 2.299 10 0 CEAELO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000092331902 180364301 /nfs/dbraw/zinc/36/43/01/180364301.db2.gz ONFLFIPHQQDYGQ-QMMMGPOBSA-N 1 2 291.326 2.380 10 0 CEAELO CCCNc1cccc(CSCCS(C)(=O)=O)[nH+]1 ZINC000092383139 180372605 /nfs/dbraw/zinc/37/26/05/180372605.db2.gz VKTRUAGFHWUDGN-UHFFFAOYSA-N 1 2 288.438 2.181 10 0 CEAELO CCNc1cccc(CN2CCCC[C@@H]2C(=O)OCC)[nH+]1 ZINC000092368555 180369871 /nfs/dbraw/zinc/36/98/71/180369871.db2.gz VWLVMTAXXXDPNS-CQSZACIVSA-N 1 2 291.395 2.431 10 0 CEAELO CNc1cccc(Cn2ccc(=O)c3ccccc32)[nH+]1 ZINC000092372159 180370971 /nfs/dbraw/zinc/37/09/71/180370971.db2.gz HMUHELPMUBULMO-UHFFFAOYSA-N 1 2 265.316 2.487 10 0 CEAELO Cn1cc(-c2[nH+]c(-c3ccccc3)n(C)c2N)cn1 ZINC000106840384 186139840 /nfs/dbraw/zinc/13/98/40/186139840.db2.gz FGEVBYAGVRCJST-UHFFFAOYSA-N 1 2 253.309 2.070 10 0 CEAELO c1ccc2c(c1)OCC[C@@H]2c1nc(C[NH2+]C2CC2)no1 ZINC000111189424 186368019 /nfs/dbraw/zinc/36/80/19/186368019.db2.gz KJYGCBXHKIVCNK-LBPRGKRZSA-N 1 2 271.320 2.236 10 0 CEAELO CCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(C)o1 ZINC000153766612 188102552 /nfs/dbraw/zinc/10/25/52/188102552.db2.gz WIPIURWAWTVVBP-GFCCVEGCSA-N 1 2 260.341 2.367 10 0 CEAELO CC(C)(C)OC[C@H](O)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000158574960 188383440 /nfs/dbraw/zinc/38/34/40/188383440.db2.gz BIDZTTOAYVRHTP-OLZOCXBDSA-N 1 2 299.436 2.297 10 0 CEAELO CC(C)(C)OC[C@H](O)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000158574960 188383442 /nfs/dbraw/zinc/38/34/42/188383442.db2.gz BIDZTTOAYVRHTP-OLZOCXBDSA-N 1 2 299.436 2.297 10 0 CEAELO C[C@H]1C[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000076077311 363518277 /nfs/dbraw/zinc/51/82/77/363518277.db2.gz MMOQKKYJXSOREL-GWCFXTLKSA-N 1 2 288.326 2.219 10 0 CEAELO O[C@H]1CCCC[C@H]1CNc1nc(C2CC2)[nH+]c2c1CCC2 ZINC000329118094 202194062 /nfs/dbraw/zinc/19/40/62/202194062.db2.gz JHOQKHRZNLPEHG-WFASDCNBSA-N 1 2 287.407 2.228 10 0 CEAELO CC(C)[N@@H+]1CCC(=O)[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954974 540650262 /nfs/dbraw/zinc/65/02/62/540650262.db2.gz RBUTZOPVIMOERM-INIZCTEOSA-N 1 2 296.411 2.439 10 0 CEAELO CC(C)[N@H+]1CCC(=O)[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954974 540650264 /nfs/dbraw/zinc/65/02/64/540650264.db2.gz RBUTZOPVIMOERM-INIZCTEOSA-N 1 2 296.411 2.439 10 0 CEAELO O=C(CCc1cncc(F)c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329400428 202320181 /nfs/dbraw/zinc/32/01/81/202320181.db2.gz YPUNIAFCLCEXFP-ZDUSSCGKSA-N 1 2 288.326 2.240 10 0 CEAELO Cc1nc(N)sc1-c1cccc(-n2cc[nH+]c2)n1 ZINC000145820542 366572726 /nfs/dbraw/zinc/57/27/26/366572726.db2.gz HCGSYZGGXFVTDR-UHFFFAOYSA-N 1 2 257.322 2.281 10 0 CEAELO CC[N@H+](Cc1ncnn1C)[C@H](C)c1cccc(O)c1 ZINC000177213324 189037011 /nfs/dbraw/zinc/03/70/11/189037011.db2.gz QMENKQDUUDRTGY-LLVKDONJSA-N 1 2 260.341 2.104 10 0 CEAELO CC[N@@H+](Cc1ncnn1C)[C@H](C)c1cccc(O)c1 ZINC000177213324 189037012 /nfs/dbraw/zinc/03/70/12/189037012.db2.gz QMENKQDUUDRTGY-LLVKDONJSA-N 1 2 260.341 2.104 10 0 CEAELO COc1ccccc1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177753267 189067483 /nfs/dbraw/zinc/06/74/83/189067483.db2.gz HZWVMMOCBLXAJN-OAHLLOKOSA-N 1 2 299.374 2.125 10 0 CEAELO Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1C ZINC000180641986 189267217 /nfs/dbraw/zinc/26/72/17/189267217.db2.gz RAWHCTNEQBTORR-GFCCVEGCSA-N 1 2 296.798 2.017 10 0 CEAELO Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1C ZINC000180641986 189267218 /nfs/dbraw/zinc/26/72/18/189267218.db2.gz RAWHCTNEQBTORR-GFCCVEGCSA-N 1 2 296.798 2.017 10 0 CEAELO CC[N@H+](Cc1c(C)nn(C)c1OC)Cc1ccccn1 ZINC000093338834 364167915 /nfs/dbraw/zinc/16/79/15/364167915.db2.gz QMGODSBGJRPUSF-UHFFFAOYSA-N 1 2 274.368 2.154 10 0 CEAELO CC[N@@H+](Cc1c(C)nn(C)c1OC)Cc1ccccn1 ZINC000093338834 364167922 /nfs/dbraw/zinc/16/79/22/364167922.db2.gz QMGODSBGJRPUSF-UHFFFAOYSA-N 1 2 274.368 2.154 10 0 CEAELO Cn1cc(C2CCN(c3cc[nH+]c(C4CC4)n3)CC2)cn1 ZINC000110413438 364721533 /nfs/dbraw/zinc/72/15/33/364721533.db2.gz YXTHJSOZLWYPGT-UHFFFAOYSA-N 1 2 283.379 2.472 10 0 CEAELO C[N@@H+]1CCO[C@H](CNc2nc3ccccc3s2)C1 ZINC000112012865 364769532 /nfs/dbraw/zinc/76/95/32/364769532.db2.gz IGNPLSIZLTXRIB-SNVBAGLBSA-N 1 2 263.366 2.039 10 0 CEAELO C[N@H+]1CCO[C@H](CNc2nc3ccccc3s2)C1 ZINC000112012865 364769537 /nfs/dbraw/zinc/76/95/37/364769537.db2.gz IGNPLSIZLTXRIB-SNVBAGLBSA-N 1 2 263.366 2.039 10 0 CEAELO CCc1nc2n(n1)C[C@@H](Nc1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC000116261552 365046242 /nfs/dbraw/zinc/04/62/42/365046242.db2.gz STDAQIWIIUQQGX-LBPRGKRZSA-N 1 2 298.394 2.243 10 0 CEAELO Cn1cc([C@H]2CC[N@H+](Cc3noc(C(C)(C)C)n3)C2)cn1 ZINC000116319391 365051808 /nfs/dbraw/zinc/05/18/08/365051808.db2.gz RWGPJMKTDPTVKA-NSHDSACASA-N 1 2 289.383 2.090 10 0 CEAELO Cn1cc([C@H]2CC[N@@H+](Cc3noc(C(C)(C)C)n3)C2)cn1 ZINC000116319391 365051811 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ZINC000079026458 284086846 /nfs/dbraw/zinc/08/68/46/284086846.db2.gz HCRJZHWCZVXRTF-CABZTGNLSA-N 1 2 253.729 2.349 10 0 CEAELO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000186730533 369028777 /nfs/dbraw/zinc/02/87/77/369028777.db2.gz OOEJKZMZXCNDGG-OAHLLOKOSA-N 1 2 269.348 2.156 10 0 CEAELO c1coc(-c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000350426006 369535512 /nfs/dbraw/zinc/53/55/12/369535512.db2.gz ZWTIWSGAKLKOJR-PWSUYJOCSA-N 1 2 275.308 2.255 10 0 CEAELO c1coc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000350426006 369535515 /nfs/dbraw/zinc/53/55/15/369535515.db2.gz ZWTIWSGAKLKOJR-PWSUYJOCSA-N 1 2 275.308 2.255 10 0 CEAELO COc1cccc2c(N3CCC[C@@H]3CO)cc[nH+]c12 ZINC000193482379 369945739 /nfs/dbraw/zinc/94/57/39/369945739.db2.gz YUOONJQEJXBDCY-LLVKDONJSA-N 1 2 258.321 2.205 10 0 CEAELO CNc1cc(-c2cc(Cl)ccc2OC)[nH+]c(N)n1 ZINC000223257754 370264377 /nfs/dbraw/zinc/26/43/77/370264377.db2.gz DBQDGQOWNWLXCW-UHFFFAOYSA-N 1 2 264.716 2.430 10 0 CEAELO COc1cccc2c1cc[nH+]c2N1CCC[C@H]1CO ZINC000235021756 370553743 /nfs/dbraw/zinc/55/37/43/370553743.db2.gz LQCIOMUSFZTQIK-NSHDSACASA-N 1 2 258.321 2.205 10 0 CEAELO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247041623 371054038 /nfs/dbraw/zinc/05/40/38/371054038.db2.gz DTUANIZVPGSNLJ-OLZOCXBDSA-N 1 2 279.384 2.125 10 0 CEAELO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247041623 371054043 /nfs/dbraw/zinc/05/40/43/371054043.db2.gz DTUANIZVPGSNLJ-OLZOCXBDSA-N 1 2 279.384 2.125 10 0 CEAELO CC[C@H]1CC[C@H](C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000253294672 371505790 /nfs/dbraw/zinc/50/57/90/371505790.db2.gz HQVHTRWXTNEGFS-RBSFLKMASA-N 1 2 282.428 2.040 10 0 CEAELO CCOC(=O)[C@H]([NH3+])c1ccc(Br)cc1OC ZINC000261286128 371636084 /nfs/dbraw/zinc/63/60/84/371636084.db2.gz XPTQJXZPIDQZGC-SNVBAGLBSA-N 1 2 288.141 2.021 10 0 CEAELO Cn1cc([C@]2(C)CN(c3[nH]c4ccccc4[nH+]3)CCO2)cn1 ZINC000270587233 372854245 /nfs/dbraw/zinc/85/42/45/372854245.db2.gz RPEZATHMVTYDHX-INIZCTEOSA-N 1 2 297.362 2.048 10 0 CEAELO CNc1ccc(Cl)c(C[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000061638432 522623409 /nfs/dbraw/zinc/62/34/09/522623409.db2.gz UVTLZCYTMOYBJE-JTQLQIEISA-N 1 2 269.776 2.388 10 0 CEAELO CNc1ccc(Cl)c(C[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000061638432 522623419 /nfs/dbraw/zinc/62/34/19/522623419.db2.gz UVTLZCYTMOYBJE-JTQLQIEISA-N 1 2 269.776 2.388 10 0 CEAELO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H]2CCCCO2)no1 ZINC000368679236 373256051 /nfs/dbraw/zinc/25/60/51/373256051.db2.gz AKUGTZBGMLZMIO-NEPJUHHUSA-N 1 2 251.330 2.084 10 0 CEAELO Cc1nc([C@@H]2CCC[N@H+]2C[C@H]2CCCCO2)no1 ZINC000368679236 373256059 /nfs/dbraw/zinc/25/60/59/373256059.db2.gz AKUGTZBGMLZMIO-NEPJUHHUSA-N 1 2 251.330 2.084 10 0 CEAELO COC(=O)c1cccnc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000305976016 376533388 /nfs/dbraw/zinc/53/33/88/376533388.db2.gz QOBCNOCKVVTFHM-QWRGUYRKSA-N 1 2 280.393 2.194 10 0 CEAELO COC(=O)c1cccnc1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000305976016 376533395 /nfs/dbraw/zinc/53/33/95/376533395.db2.gz QOBCNOCKVVTFHM-QWRGUYRKSA-N 1 2 280.393 2.194 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ncccn1 ZINC000192009092 249340122 /nfs/dbraw/zinc/34/01/22/249340122.db2.gz LZDCIBCRVBGMRH-ZDUSSCGKSA-N 1 2 271.368 2.164 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ncccn1 ZINC000192009092 249340126 /nfs/dbraw/zinc/34/01/26/249340126.db2.gz LZDCIBCRVBGMRH-ZDUSSCGKSA-N 1 2 271.368 2.164 10 0 CEAELO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000300418862 379170833 /nfs/dbraw/zinc/17/08/33/379170833.db2.gz FZPYHYWKFWRESE-ZMLRMANQSA-N 1 2 267.373 2.327 10 0 CEAELO COc1cccc(OCCNc2cc(C)[nH+]cn2)c1 ZINC000301267761 379238995 /nfs/dbraw/zinc/23/89/95/379238995.db2.gz UPXVEMAJVYNDJS-UHFFFAOYSA-N 1 2 259.309 2.285 10 0 CEAELO CCc1cc(N2CCO[C@@H]3CCCC[C@H]32)nc(C)[nH+]1 ZINC000302104208 379320529 /nfs/dbraw/zinc/32/05/29/379320529.db2.gz REZBMYBLBIKBGC-ZIAGYGMSSA-N 1 2 261.369 2.495 10 0 CEAELO CCCCc1nc(C[NH2+][C@H](C)[C@H]2CCCO2)no1 ZINC000183108129 542287523 /nfs/dbraw/zinc/28/75/23/542287523.db2.gz BTZKLZQJVWCZMO-GHMZBOCLSA-N 1 2 253.346 2.069 10 0 CEAELO C[C@@H]([NH2+]C1(CO)CCCCC1)C(=O)OC(C)(C)C ZINC000090815057 184618149 /nfs/dbraw/zinc/61/81/49/184618149.db2.gz XZXFGEDKSLRVCQ-LLVKDONJSA-N 1 2 257.374 2.001 10 0 CEAELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000335359269 208271648 /nfs/dbraw/zinc/27/16/48/208271648.db2.gz MWOLUYPTTMGTOV-WDEREUQCSA-N 1 2 252.358 2.317 10 0 CEAELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000335359269 208271652 /nfs/dbraw/zinc/27/16/52/208271652.db2.gz MWOLUYPTTMGTOV-WDEREUQCSA-N 1 2 252.358 2.317 10 0 CEAELO CC[C@H]1CO[C@@H](C)CN1c1nc[nH+]c2cc(N)ccc21 ZINC000087820137 135051255 /nfs/dbraw/zinc/05/12/55/135051255.db2.gz KOILPVUMBLGTBG-JQWIXIFHSA-N 1 2 272.352 2.216 10 0 CEAELO CN1c2ccc([C@@H]([NH3+])C(F)(F)C(F)F)cc2CCC1=O ZINC000093875411 135082687 /nfs/dbraw/zinc/08/26/87/135082687.db2.gz FIPPICNISZTMKG-LLVKDONJSA-N 1 2 290.260 2.496 10 0 CEAELO CCOC(=O)c1nc(C[N@@H+]2CCC[C@H]2CCCO)cs1 ZINC000052762672 394557988 /nfs/dbraw/zinc/55/79/88/394557988.db2.gz LKSJKXALOMLPCR-LBPRGKRZSA-N 1 2 298.408 2.057 10 0 CEAELO CCOC(=O)c1nc(C[N@H+]2CCC[C@H]2CCCO)cs1 ZINC000052762672 394557991 /nfs/dbraw/zinc/55/79/91/394557991.db2.gz LKSJKXALOMLPCR-LBPRGKRZSA-N 1 2 298.408 2.057 10 0 CEAELO COCCCN(C)c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000110308210 394736457 /nfs/dbraw/zinc/73/64/57/394736457.db2.gz RCWFCVVIKBZFHN-CYBMUJFWSA-N 1 2 278.400 2.186 10 0 CEAELO COCCCN(C)c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000110308210 394736461 /nfs/dbraw/zinc/73/64/61/394736461.db2.gz RCWFCVVIKBZFHN-CYBMUJFWSA-N 1 2 278.400 2.186 10 0 CEAELO Cc1cncc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000189885315 153109672 /nfs/dbraw/zinc/10/96/72/153109672.db2.gz GTAMUOJOTRGVGC-ZDUSSCGKSA-N 1 2 275.377 2.420 10 0 CEAELO Cc1cncc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000189885315 153109676 /nfs/dbraw/zinc/10/96/76/153109676.db2.gz GTAMUOJOTRGVGC-ZDUSSCGKSA-N 1 2 275.377 2.420 10 0 CEAELO CCc1csc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)OC)C2)n1 ZINC000195443290 153285983 /nfs/dbraw/zinc/28/59/83/153285983.db2.gz LPJNEIQGRHVJMK-QWRGUYRKSA-N 1 2 282.409 2.446 10 0 CEAELO CCc1csc([C@H]2CCC[N@H+]([C@@H](C)C(=O)OC)C2)n1 ZINC000195443290 153285985 /nfs/dbraw/zinc/28/59/85/153285985.db2.gz LPJNEIQGRHVJMK-QWRGUYRKSA-N 1 2 282.409 2.446 10 0 CEAELO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000230647648 153399762 /nfs/dbraw/zinc/39/97/62/153399762.db2.gz HCSWSMBTSQYVNH-GHMZBOCLSA-N 1 2 267.373 2.327 10 0 CEAELO CO[C@H](C)c1cccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263197102 154030515 /nfs/dbraw/zinc/03/05/15/154030515.db2.gz IOEJUHMJOLGHER-SKDRFNHKSA-N 1 2 284.306 2.330 10 0 CEAELO C[C@@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@@H+]1Cc1ccc[nH]1 ZINC000006488735 170205583 /nfs/dbraw/zinc/20/55/83/170205583.db2.gz GFARXPTYPAYTPP-LLVKDONJSA-N 1 2 282.347 2.474 10 0 CEAELO C[C@@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@H+]1Cc1ccc[nH]1 ZINC000006488735 170205584 /nfs/dbraw/zinc/20/55/84/170205584.db2.gz GFARXPTYPAYTPP-LLVKDONJSA-N 1 2 282.347 2.474 10 0 CEAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)C(=O)N1CCCC1 ZINC000035164391 172025462 /nfs/dbraw/zinc/02/54/62/172025462.db2.gz VBTJHULUFFOBFV-GFCCVEGCSA-N 1 2 261.369 2.175 10 0 CEAELO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000035632759 172315212 /nfs/dbraw/zinc/31/52/12/172315212.db2.gz SBFAFADAQLKSMM-VIFPVBQESA-N 1 2 297.405 2.224 10 0 CEAELO COc1ccc(OCCOc2ccc[nH+]c2N)cc1 ZINC000036223197 172520984 /nfs/dbraw/zinc/52/09/84/172520984.db2.gz RBKKGMYNLMMILI-UHFFFAOYSA-N 1 2 260.293 2.130 10 0 CEAELO COc1ccc(NC(=O)CSc2ccc(N)[nH+]c2)cc1 ZINC000037192682 173022387 /nfs/dbraw/zinc/02/23/87/173022387.db2.gz HCSAEFTVBBROQD-UHFFFAOYSA-N 1 2 289.360 2.403 10 0 CEAELO CC[NH2+][C@@]1(C(=O)OC)CCCc2cc(OC)ccc21 ZINC000037446632 173213761 /nfs/dbraw/zinc/21/37/61/173213761.db2.gz AAXCFVCSLZJIEW-HNNXBMFYSA-N 1 2 263.337 2.009 10 0 CEAELO COc1nc2sccn2c1C[NH2+]Cc1nc(C)cs1 ZINC000038054749 174066284 /nfs/dbraw/zinc/06/62/84/174066284.db2.gz MULHZDFQKVFPLP-UHFFFAOYSA-N 1 2 294.405 2.459 10 0 CEAELO CCCc1[nH+]c2ccccc2n1CC(=O)NC1CC1 ZINC000040295710 174223419 /nfs/dbraw/zinc/22/34/19/174223419.db2.gz QHWXIUQQBNAGRS-UHFFFAOYSA-N 1 2 257.337 2.267 10 0 CEAELO COc1ccc(C)cc1Nc1ncnc(-n2cc[nH+]c2)c1N ZINC000040684552 174375399 /nfs/dbraw/zinc/37/53/99/174375399.db2.gz CWHLXSRDRWSTHA-UHFFFAOYSA-N 1 2 296.334 2.305 10 0 CEAELO CCOc1ccccc1Nc1nc[nH+]c(NC)c1N ZINC000040707154 174379621 /nfs/dbraw/zinc/37/96/21/174379621.db2.gz WRUVEPQJHLTZJK-UHFFFAOYSA-N 1 2 259.313 2.243 10 0 CEAELO Nc1nc[nH+]c(Nc2ccc(Br)cc2)c1N ZINC000040723921 174385812 /nfs/dbraw/zinc/38/58/12/174385812.db2.gz XJCVUYKESWZUDQ-UHFFFAOYSA-N 1 2 280.129 2.147 10 0 CEAELO Nc1[nH+]cnc(Nc2ccc(Br)cc2)c1N ZINC000040723921 174385813 /nfs/dbraw/zinc/38/58/13/174385813.db2.gz XJCVUYKESWZUDQ-UHFFFAOYSA-N 1 2 280.129 2.147 10 0 CEAELO CCN(CC[C@@](C)([NH2+]C(C)C)C(=O)OC)CC(F)(F)F ZINC000045274149 175344381 /nfs/dbraw/zinc/34/43/81/175344381.db2.gz NNGOUDVBGKJELY-GFCCVEGCSA-N 1 2 298.349 2.190 10 0 CEAELO CCCN(CC[C@@](C)([NH2+]CC)C(=O)OC)CC(F)(F)F ZINC000045274444 175344758 /nfs/dbraw/zinc/34/47/58/175344758.db2.gz LZENFDSJUUGIQE-GFCCVEGCSA-N 1 2 298.349 2.192 10 0 CEAELO CC[NH2+][C@@](C)(C[N@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281075 175351812 /nfs/dbraw/zinc/35/18/12/175351812.db2.gz HVCAWMNJMZBWLL-PIMMBPRGSA-N 1 2 270.417 2.340 10 0 CEAELO CC[NH2+][C@@](C)(C[N@@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281075 175351814 /nfs/dbraw/zinc/35/18/14/175351814.db2.gz HVCAWMNJMZBWLL-PIMMBPRGSA-N 1 2 270.417 2.340 10 0 CEAELO CC[C@@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000046269776 175394999 /nfs/dbraw/zinc/39/49/99/175394999.db2.gz OUDKCTJMRTWNOR-GOEBONIOSA-N 1 2 290.407 2.017 10 0 CEAELO CCOc1cncc(-n2cc[nH+]c2-c2ccc(N)cc2)n1 ZINC000071176551 176054887 /nfs/dbraw/zinc/05/48/87/176054887.db2.gz KEGSEGNJYUBLFM-UHFFFAOYSA-N 1 2 281.319 2.310 10 0 CEAELO Cn1cc[nH+]c1Cn1c2ccc(N)cc2nc1C(F)(F)F ZINC000071275917 176106893 /nfs/dbraw/zinc/10/68/93/176106893.db2.gz OUZQENJQAZHQFP-UHFFFAOYSA-N 1 2 295.268 2.419 10 0 CEAELO Cn1ccnc1[C@@H]([NH2+]Cc1ccnn1C)c1cccs1 ZINC000071333421 176126147 /nfs/dbraw/zinc/12/61/47/176126147.db2.gz APJDLKFYTQPPQM-ZDUSSCGKSA-N 1 2 287.392 2.094 10 0 CEAELO CCc1[nH+]c2ccccc2n1CCn1ccc(N)n1 ZINC000071378672 176143763 /nfs/dbraw/zinc/14/37/63/176143763.db2.gz ZGTDQXKHCOTDBQ-UHFFFAOYSA-N 1 2 255.325 2.078 10 0 CEAELO CCOc1ccc2[nH+]c(C)cc(OCC(=O)OC)c2c1 ZINC000072237233 176346370 /nfs/dbraw/zinc/34/63/70/176346370.db2.gz BRPCVFLCLPZZBC-UHFFFAOYSA-N 1 2 275.304 2.494 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)[C@H]1CCCc2ccccc21 ZINC000078723586 177375785 /nfs/dbraw/zinc/37/57/85/177375785.db2.gz OQVOYJTUMQGPNX-HNNXBMFYSA-N 1 2 269.348 2.189 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)[C@H]1CCCc2ccccc21 ZINC000078723586 177375787 /nfs/dbraw/zinc/37/57/87/177375787.db2.gz OQVOYJTUMQGPNX-HNNXBMFYSA-N 1 2 269.348 2.189 10 0 CEAELO CCn1c(C)nnc1C[N@H+](C)CCN(C)c1ccccc1 ZINC000171636287 260945470 /nfs/dbraw/zinc/94/54/70/260945470.db2.gz RFTXCFRSDISSAS-UHFFFAOYSA-N 1 2 287.411 2.175 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](C)CCN(C)c1ccccc1 ZINC000171636287 260945471 /nfs/dbraw/zinc/94/54/71/260945471.db2.gz RFTXCFRSDISSAS-UHFFFAOYSA-N 1 2 287.411 2.175 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(CC(F)(F)F)C2 ZINC000106372398 278074999 /nfs/dbraw/zinc/07/49/99/278074999.db2.gz GSUDTSRWHKVURA-UHFFFAOYSA-N 1 2 261.291 2.464 10 0 CEAELO CC(C)n1c[nH+]c2c1[C@H](CO)N(C(=O)OC(C)(C)C)CC2 ZINC000091303210 278138790 /nfs/dbraw/zinc/13/87/90/278138790.db2.gz JMBRLGSSSJULSD-LBPRGKRZSA-N 1 2 295.383 2.291 10 0 CEAELO CCn1nccc1C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000245510344 280246525 /nfs/dbraw/zinc/24/65/25/280246525.db2.gz WETFFLJHEUFVGV-CFVMTHIKSA-N 1 2 291.395 2.209 10 0 CEAELO CCn1nccc1C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000245510344 280246527 /nfs/dbraw/zinc/24/65/27/280246527.db2.gz WETFFLJHEUFVGV-CFVMTHIKSA-N 1 2 291.395 2.209 10 0 CEAELO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCCNC(=O)[C@H]2C)o1 ZINC000249084234 280383065 /nfs/dbraw/zinc/38/30/65/280383065.db2.gz SYQFVEAVIGLMTO-NQBHXWOUSA-N 1 2 262.353 2.113 10 0 CEAELO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCCNC(=O)[C@H]2C)o1 ZINC000249084234 280383067 /nfs/dbraw/zinc/38/30/67/280383067.db2.gz SYQFVEAVIGLMTO-NQBHXWOUSA-N 1 2 262.353 2.113 10 0 CEAELO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000186730552 321752547 /nfs/dbraw/zinc/75/25/47/321752547.db2.gz OOEJKZMZXCNDGG-HNNXBMFYSA-N 1 2 269.348 2.156 10 0 CEAELO CSC1(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000191607142 321790062 /nfs/dbraw/zinc/79/00/62/321790062.db2.gz IWEVAQFHXCVEAT-UHFFFAOYSA-N 1 2 293.436 2.324 10 0 CEAELO CC[NH2+][C@H](CCN(CC(F)(F)F)C(C)C)C(=O)OCC ZINC000062454611 520187117 /nfs/dbraw/zinc/18/71/17/520187117.db2.gz YWXITJYHBDPXPY-LLVKDONJSA-N 1 2 298.349 2.190 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@@H](C)Sc1ncc(C)cn1)[NH2+]C ZINC000068640026 521149689 /nfs/dbraw/zinc/14/96/89/521149689.db2.gz CQVWOSANDFVOQC-BXUZGUMPSA-N 1 2 297.424 2.197 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)Sc1ncc(C)cn1)[NH2+]C ZINC000068640027 521320819 /nfs/dbraw/zinc/32/08/19/521320819.db2.gz CQVWOSANDFVOQC-RISCZKNCSA-N 1 2 297.424 2.197 10 0 CEAELO CC[C@@H](C)N1CC[NH+]([C@@H]2CCCCCC2=O)CC1 ZINC000055064222 522128059 /nfs/dbraw/zinc/12/80/59/522128059.db2.gz SCPDHZBACWRRQR-ZIAGYGMSSA-N 1 2 252.402 2.304 10 0 CEAELO Brc1ccccc1C[NH2+]Cc1cnc[nH]1 ZINC000054765197 518224701 /nfs/dbraw/zinc/22/47/01/518224701.db2.gz LHVCDLREVMQZEC-UHFFFAOYSA-N 1 2 266.142 2.462 10 0 CEAELO CC(C)NC(=O)c1cccc(NCc2[nH+]ccn2C)c1 ZINC000051922199 519718050 /nfs/dbraw/zinc/71/80/50/519718050.db2.gz PPDNMHNCTSYTJV-UHFFFAOYSA-N 1 2 272.352 2.170 10 0 CEAELO CCC[NH2+][C@@](CSCCOC)(C(=O)OCC)C1CC1 ZINC000069184588 520057236 /nfs/dbraw/zinc/05/72/36/520057236.db2.gz LQBCOVSXUOEDGH-CQSZACIVSA-N 1 2 289.441 2.078 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1ccccc1)C(=O)OCC ZINC000062440620 520087071 /nfs/dbraw/zinc/08/70/71/520087071.db2.gz WOVYOMFHKPZQFX-AWEZNQCLSA-N 1 2 264.369 2.054 10 0 CEAELO CC[NH2+][C@@H](CCO[C@@H](C)CC(C)C)C(=O)OCC ZINC000062544965 520091578 /nfs/dbraw/zinc/09/15/78/520091578.db2.gz AHHRLZZQXSCASG-STQMWFEESA-N 1 2 259.390 2.369 10 0 CEAELO CCC[NH2+][C@](C[N@@H+]1CCCC[C@@H]1CC)(C(=O)[O-])C1CC1 ZINC000069097266 520122086 /nfs/dbraw/zinc/12/20/86/520122086.db2.gz YLNVAKFIWZHLQM-HOCLYGCPSA-N 1 2 282.428 2.484 10 0 CEAELO CCC[NH2+][C@](C[N@H+]1CCCC[C@@H]1CC)(C(=O)[O-])C1CC1 ZINC000069097266 520122097 /nfs/dbraw/zinc/12/20/97/520122097.db2.gz YLNVAKFIWZHLQM-HOCLYGCPSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)Sc1cnccn1)C(=O)OCC ZINC000068643179 520146730 /nfs/dbraw/zinc/14/67/30/520146730.db2.gz JFTYJNGNYLNPHP-FZMZJTMJSA-N 1 2 297.424 2.279 10 0 CEAELO CC[NH2+][C@@](C)(Cn1nc(C)c(Cl)c1C)C(=O)OCC ZINC000050588216 520147844 /nfs/dbraw/zinc/14/78/44/520147844.db2.gz UAIPEBXKSKECFC-ZDUSSCGKSA-N 1 2 287.791 2.085 10 0 CEAELO CC[NH2+][C@@](CN(C)c1ccc(C)cc1)(C(=O)OC)C1CC1 ZINC000069231418 520148514 /nfs/dbraw/zinc/14/85/14/520148514.db2.gz VYMYBSPVKFEDEF-QGZVFWFLSA-N 1 2 290.407 2.363 10 0 CEAELO CC[NH2+][C@@](C[NH+]1CCC(C)(CC)CC1)(C(=O)[O-])C1CC1 ZINC000069232482 520152084 /nfs/dbraw/zinc/15/20/84/520152084.db2.gz MVNYZTBPWMZBTE-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CCCNc1ncccc1C[N@H+](C)CC(=O)N(CC)CC ZINC000052729544 520195127 /nfs/dbraw/zinc/19/51/27/520195127.db2.gz OVOPABHRXWKWPF-UHFFFAOYSA-N 1 2 292.427 2.204 10 0 CEAELO CCCNc1ncccc1C[N@@H+](C)CC(=O)N(CC)CC ZINC000052729544 520195133 /nfs/dbraw/zinc/19/51/33/520195133.db2.gz OVOPABHRXWKWPF-UHFFFAOYSA-N 1 2 292.427 2.204 10 0 CEAELO CC[NH2+][C@H](c1nnc([C@@H]2CCOC2)o1)c1ccccc1 ZINC000050618138 520212700 /nfs/dbraw/zinc/21/27/00/520212700.db2.gz ZDVGLJOIOBSTIV-OLZOCXBDSA-N 1 2 273.336 2.272 10 0 CEAELO CCCOC[C@@]([NH2+]C(C)C)(C(=O)OCC)C1CC1 ZINC000069198030 520256483 /nfs/dbraw/zinc/25/64/83/520256483.db2.gz LJMQYWBHTSEESH-AWEZNQCLSA-N 1 2 257.374 2.123 10 0 CEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccccc1C ZINC000184164546 520595492 /nfs/dbraw/zinc/59/54/92/520595492.db2.gz YXSRUIOOZSPUJW-HNNXBMFYSA-N 1 2 276.380 2.434 10 0 CEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccccc1C ZINC000184164546 520595503 /nfs/dbraw/zinc/59/55/03/520595503.db2.gz YXSRUIOOZSPUJW-HNNXBMFYSA-N 1 2 276.380 2.434 10 0 CEAELO CCOC(=O)[C@@](COC1CCCC1)([NH2+]C1CC1)C1CC1 ZINC000069196793 521166507 /nfs/dbraw/zinc/16/65/07/521166507.db2.gz LJOGZIFQRYUAAT-INIZCTEOSA-N 1 2 281.396 2.410 10 0 CEAELO CCOC(=O)[C@H](CCN(CC)CC(F)(F)F)[NH2+]C(C)C ZINC000062455078 521241820 /nfs/dbraw/zinc/24/18/20/521241820.db2.gz SQPNQMFDTRQRNQ-NSHDSACASA-N 1 2 298.349 2.190 10 0 CEAELO CCOC(=O)[C@H](CCSc1nc2ccccc2[nH]1)[NH2+]C ZINC000062598980 521250077 /nfs/dbraw/zinc/25/00/77/521250077.db2.gz TUKZTRXMZIUYSU-LBPRGKRZSA-N 1 2 293.392 2.196 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)n1cc(C(F)(F)F)cn1)C(=O)OC ZINC000068650401 522423492 /nfs/dbraw/zinc/42/34/92/522423492.db2.gz JWFUAZAHGDGHJO-KWQFWETISA-N 1 2 293.289 2.004 10 0 CEAELO CCc1nc([C@@H]([NH3+])c2cc(F)c(F)c(F)c2)no1 ZINC000062720005 522426386 /nfs/dbraw/zinc/42/63/86/522426386.db2.gz LVRDOQFDJOOSQT-JTQLQIEISA-N 1 2 257.215 2.097 10 0 CEAELO CCc1[nH+]c2ccccc2n1C[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000062808016 522503846 /nfs/dbraw/zinc/50/38/46/522503846.db2.gz DKCSAJFHHXAAFJ-MRXNPFEDSA-N 1 2 287.363 2.194 10 0 CEAELO C[NH2+][C@](CN(C)c1cc(C)cc(C)c1)(C(=O)OC)C1CC1 ZINC000069231264 522524594 /nfs/dbraw/zinc/52/45/94/522524594.db2.gz JLLVZKMNHIUFAE-KRWDZBQOSA-N 1 2 290.407 2.281 10 0 CEAELO CNc1nc2ccccc2cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000050792541 522691164 /nfs/dbraw/zinc/69/11/64/522691164.db2.gz ZXPSAUQWTSVURR-LBPRGKRZSA-N 1 2 271.364 2.497 10 0 CEAELO CNc1nc2ccccc2cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000050792541 522691171 /nfs/dbraw/zinc/69/11/71/522691171.db2.gz ZXPSAUQWTSVURR-LBPRGKRZSA-N 1 2 271.364 2.497 10 0 CEAELO COC(=O)CSCc1cc2ccc(OC)cc2[nH+]c1N ZINC000050838490 523245195 /nfs/dbraw/zinc/24/51/95/523245195.db2.gz QSALBYXWVUPPBL-UHFFFAOYSA-N 1 2 292.360 2.232 10 0 CEAELO COC(=O)N1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC000052489830 523433284 /nfs/dbraw/zinc/43/32/84/523433284.db2.gz RUDVKFFWXVHATR-UHFFFAOYSA-N 1 2 285.347 2.432 10 0 CEAELO COC(=O)[C@@H](CC(C)C)[NH2+]CCOc1ccccc1 ZINC000049825405 523567634 /nfs/dbraw/zinc/56/76/34/523567634.db2.gz JRIQIMMJLMAIJP-CQSZACIVSA-N 1 2 265.353 2.243 10 0 CEAELO COC(=O)[C@@](C)(C[C@@H](C)Sc1ccncn1)[NH2+]C(C)C ZINC000068643764 523814885 /nfs/dbraw/zinc/81/48/85/523814885.db2.gz APJKGRLGCVSHJG-BXUZGUMPSA-N 1 2 297.424 2.277 10 0 CEAELO CN(C)C(=O)c1ccc(Cl)cc1NCc1c[nH+]c[nH]1 ZINC000054764853 524022600 /nfs/dbraw/zinc/02/26/00/524022600.db2.gz NYWAFJYHORGOLY-UHFFFAOYSA-N 1 2 278.743 2.377 10 0 CEAELO CN(C)C(=O)c1ccc(Cl)cc1NCc1c[nH]c[nH+]1 ZINC000054764853 524022602 /nfs/dbraw/zinc/02/26/02/524022602.db2.gz NYWAFJYHORGOLY-UHFFFAOYSA-N 1 2 278.743 2.377 10 0 CEAELO COc1ccc(N2N=C(C(C)C)[C@H](CCC[NH3+])C2=O)cc1 ZINC000069506716 524448122 /nfs/dbraw/zinc/44/81/22/524448122.db2.gz SIHPRSGMMBXKKV-AWEZNQCLSA-N 1 2 289.379 2.409 10 0 CEAELO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc2c1NCCC2 ZINC000050957979 524790985 /nfs/dbraw/zinc/79/09/85/524790985.db2.gz IUHJGNVLFFJLRT-GFCCVEGCSA-N 1 2 284.363 2.060 10 0 CEAELO Cc1cc(NCCC(=O)N2CCCC2)nc(C(C)C)[nH+]1 ZINC000157548008 525267245 /nfs/dbraw/zinc/26/72/45/525267245.db2.gz VLIVGQZPNHONRM-UHFFFAOYSA-N 1 2 276.384 2.333 10 0 CEAELO COc1ccc2cc(C[N@@H+]3CCOC[C@@H]3C)c(N)nc2c1 ZINC000050813570 525628969 /nfs/dbraw/zinc/62/89/69/525628969.db2.gz VZNZEIBRVMBDQD-NSHDSACASA-N 1 2 287.363 2.046 10 0 CEAELO COc1ccc2cc(C[N@H+]3CCOC[C@@H]3C)c(N)nc2c1 ZINC000050813570 525628978 /nfs/dbraw/zinc/62/89/78/525628978.db2.gz VZNZEIBRVMBDQD-NSHDSACASA-N 1 2 287.363 2.046 10 0 CEAELO Cc1csc(Cc2nc3sccc3c(NN)[nH+]2)n1 ZINC000055269850 526368942 /nfs/dbraw/zinc/36/89/42/526368942.db2.gz SEDZRUPLEDJREB-UHFFFAOYSA-N 1 2 277.378 2.333 10 0 CEAELO Nc1c[nH+]ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000062725921 527537351 /nfs/dbraw/zinc/53/73/51/527537351.db2.gz YWTSHAJQKKRVOA-UHFFFAOYSA-N 1 2 283.740 2.118 10 0 CEAELO COC(=O)c1ccccc1N(C)CCCn1cc[nH+]c1 ZINC000050050965 624594913 /nfs/dbraw/zinc/59/49/13/624594913.db2.gz VTVKOBNLXFAIGI-UHFFFAOYSA-N 1 2 273.336 2.196 10 0 CEAELO C[C@H]1CC[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC000178169906 625959060 /nfs/dbraw/zinc/95/90/60/625959060.db2.gz ASTZIOCCVDFVDJ-WFASDCNBSA-N 1 2 285.347 2.056 10 0 CEAELO Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262737748 631210397 /nfs/dbraw/zinc/21/03/97/631210397.db2.gz CHMFEGXNIFSYCU-CHWSQXEVSA-N 1 2 280.318 2.096 10 0 CEAELO COCC[C@H]1C[N@H+](C/C(C)=C\c2ccco2)CCO1 ZINC000229647891 639712870 /nfs/dbraw/zinc/71/28/70/639712870.db2.gz NWAIUDVSDOLCEF-WVUXNXBLSA-N 1 2 265.353 2.420 10 0 CEAELO COCC[C@H]1C[N@@H+](C/C(C)=C\c2ccco2)CCO1 ZINC000229647891 639712872 /nfs/dbraw/zinc/71/28/72/639712872.db2.gz NWAIUDVSDOLCEF-WVUXNXBLSA-N 1 2 265.353 2.420 10 0 CEAELO C[C@H]1C[NH+](Cn2cnc3cc(F)c(F)cc32)C[C@H](C)O1 ZINC000073878554 643344154 /nfs/dbraw/zinc/34/41/54/643344154.db2.gz RIVRCBPYXDNMEX-UWVGGRQHSA-N 1 2 281.306 2.381 10 0 CEAELO CCOC(=O)c1nc([C@H]([NH3+])c2ccc(Cl)c(F)c2)no1 ZINC000095532955 185007003 /nfs/dbraw/zinc/00/70/03/185007003.db2.gz ZEPJERKWTXVFBH-SECBINFHSA-N 1 2 299.689 2.087 10 0 CEAELO C[C@@H]([NH3+])c1n[nH]c(-c2cc(F)cc(Br)c2)n1 ZINC000082752549 178275014 /nfs/dbraw/zinc/27/50/14/178275014.db2.gz VMOTWLLREBCJNM-RXMQYKEDSA-N 1 2 285.120 2.393 10 0 CEAELO C[C@](CO)([NH2+]Cc1cccs1)c1nccs1 ZINC000083144082 178341711 /nfs/dbraw/zinc/34/17/11/178341711.db2.gz HHKMZMNQUPMVJD-LLVKDONJSA-N 1 2 254.380 2.202 10 0 CEAELO C[C@H](CO)C[NH2+]c1ccc(N)cc1Br ZINC000083219495 178358127 /nfs/dbraw/zinc/35/81/27/178358127.db2.gz WLJVZUAIARDFOZ-ZETCQYMHSA-N 1 2 259.147 2.072 10 0 CEAELO CCn1cc[nH+]c1C[S@@](=O)c1ccc(OC)cc1 ZINC000177292625 529582183 /nfs/dbraw/zinc/58/21/83/529582183.db2.gz GZGOBHDRGUPBCZ-GOSISDBHSA-N 1 2 264.350 2.219 10 0 CEAELO CCOC(=O)[C@H](CO)CCCCCCn1cc[nH+]c1 ZINC000039320229 343435873 /nfs/dbraw/zinc/43/58/73/343435873.db2.gz DXGJREAFVQOJMN-ZDUSSCGKSA-N 1 2 268.357 2.005 10 0 CEAELO Cc1nc(N2CCC[C@H](n3cncn3)C2)c2c([nH+]1)CCCC2 ZINC000302063158 136446773 /nfs/dbraw/zinc/44/67/73/136446773.db2.gz UPZJPLBZNGWPDE-ZDUSSCGKSA-N 1 2 298.394 2.097 10 0 CEAELO CC(C)(C)OC(=O)CC[NH2+]CC(=O)OCc1ccccc1 ZINC000114085678 344278884 /nfs/dbraw/zinc/27/88/84/344278884.db2.gz SDTZMMHGVHGEJQ-UHFFFAOYSA-N 1 2 293.363 2.051 10 0 CEAELO Cn1c[nH+]cc1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000097012896 344242827 /nfs/dbraw/zinc/24/28/27/344242827.db2.gz BCWCTSWEKDEMLK-JTQLQIEISA-N 1 2 251.330 2.145 10 0 CEAELO Cc1c(N)c[nH+]c(NCC(F)F)c1Br ZINC000167032836 344477992 /nfs/dbraw/zinc/47/79/92/344477992.db2.gz DIMOGPYLKQBQOC-UHFFFAOYSA-N 1 2 266.089 2.412 10 0 CEAELO CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(N)[nH+]2)C1 ZINC000309858829 344729711 /nfs/dbraw/zinc/72/97/11/344729711.db2.gz GMYHHVNWZIYHHX-SNVBAGLBSA-N 1 2 263.341 2.388 10 0 CEAELO CCc1cnccc1C(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000328639669 344757159 /nfs/dbraw/zinc/75/71/59/344757159.db2.gz WYQHZESZEDMHRC-ZDUSSCGKSA-N 1 2 298.390 2.175 10 0 CEAELO CC[C@H]1CCN(c2cc(N[C@H]3CCCOC3)[nH+]cn2)C1 ZINC000328624844 344756296 /nfs/dbraw/zinc/75/62/96/344756296.db2.gz CQSMPWCTCKPROX-STQMWFEESA-N 1 2 276.384 2.304 10 0 CEAELO CC[C@H]1CCN(c2cc(N[C@H]3CCCOC3)nc[nH+]2)C1 ZINC000328624844 344756298 /nfs/dbraw/zinc/75/62/98/344756298.db2.gz CQSMPWCTCKPROX-STQMWFEESA-N 1 2 276.384 2.304 10 0 CEAELO CCOC1([C@H](NN)c2[nH+]ccn2C)CCCCCC1 ZINC000097668222 185648720 /nfs/dbraw/zinc/64/87/20/185648720.db2.gz QIVUFKQXPNCCJF-GFCCVEGCSA-N 1 2 266.389 2.054 10 0 CEAELO CCc1[nH+]c(CCCOC)nc(NC)c1Br ZINC000085460461 179068603 /nfs/dbraw/zinc/06/86/03/179068603.db2.gz HGQHMCLQPFYSQV-UHFFFAOYSA-N 1 2 288.189 2.422 10 0 CEAELO CCC(=O)[C@@H](C)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000085682097 179113689 /nfs/dbraw/zinc/11/36/89/179113689.db2.gz VKMPPXIYAOPLMD-UKRRQHHQSA-N 1 2 260.381 2.343 10 0 CEAELO CCC(=O)[C@@H](C)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000085682097 179113692 /nfs/dbraw/zinc/11/36/92/179113692.db2.gz VKMPPXIYAOPLMD-UKRRQHHQSA-N 1 2 260.381 2.343 10 0 CEAELO CCC(=O)[C@@H](C)[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000085682097 179113693 /nfs/dbraw/zinc/11/36/93/179113693.db2.gz VKMPPXIYAOPLMD-UKRRQHHQSA-N 1 2 260.381 2.343 10 0 CEAELO CCC(=O)[C@@H](C)[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000085682097 179113696 /nfs/dbraw/zinc/11/36/96/179113696.db2.gz VKMPPXIYAOPLMD-UKRRQHHQSA-N 1 2 260.381 2.343 10 0 CEAELO CC[C@@](C)(C(=O)Cc1ccccc1)[NH+]1CCOCC1 ZINC000085749798 179142172 /nfs/dbraw/zinc/14/21/72/179142172.db2.gz ASJRRHIJQXDBIO-INIZCTEOSA-N 1 2 261.365 2.299 10 0 CEAELO COc1ccc2nc(-c3sc(C[NH3+])nc3C)[nH]c2c1 ZINC000086576238 179308331 /nfs/dbraw/zinc/30/83/31/179308331.db2.gz PQVFQTDACBSBDB-UHFFFAOYSA-N 1 2 274.349 2.462 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]CCOC)CCC[C@@H](C)CC1 ZINC000086892090 179366095 /nfs/dbraw/zinc/36/60/95/179366095.db2.gz WWEKWBGILDUKDA-TZMCWYRMSA-N 1 2 257.374 2.125 10 0 CEAELO CC(C)(C)OC(=O)N1CCCOC[C@@H]1c1ccc[nH+]c1N ZINC000616645523 348545564 /nfs/dbraw/zinc/54/55/64/348545564.db2.gz JQJXXHKNZYZDDE-GFCCVEGCSA-N 1 2 293.367 2.362 10 0 CEAELO CC(C)(C)OC(=O)N1CCCOC[C@H]1c1cc[nH+]c(N)c1 ZINC000616648012 348546133 /nfs/dbraw/zinc/54/61/33/348546133.db2.gz RMEPVYQFXNRDMO-LBPRGKRZSA-N 1 2 293.367 2.193 10 0 CEAELO c1nc([C@@H]2CCOCC[N@H+]2Cc2ccccc2)c[nH]1 ZINC000616598284 348529412 /nfs/dbraw/zinc/52/94/12/348529412.db2.gz OEMVGTNOTLCLDU-HNNXBMFYSA-N 1 2 257.337 2.373 10 0 CEAELO c1nc([C@@H]2CCOCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000616598284 348529416 /nfs/dbraw/zinc/52/94/16/348529416.db2.gz OEMVGTNOTLCLDU-HNNXBMFYSA-N 1 2 257.337 2.373 10 0 CEAELO c1ncc([C@@H]2CCOCC[N@H+]2Cc2ccccc2)[nH]1 ZINC000616598284 348529420 /nfs/dbraw/zinc/52/94/20/348529420.db2.gz OEMVGTNOTLCLDU-HNNXBMFYSA-N 1 2 257.337 2.373 10 0 CEAELO c1ncc([C@@H]2CCOCC[N@@H+]2Cc2ccccc2)[nH]1 ZINC000616598284 348529425 /nfs/dbraw/zinc/52/94/25/348529425.db2.gz OEMVGTNOTLCLDU-HNNXBMFYSA-N 1 2 257.337 2.373 10 0 CEAELO CC(C)(C)[N@@H+]1CCO[C@@H](S(=O)(=O)c2ccccc2)CC1 ZINC000616666257 348555164 /nfs/dbraw/zinc/55/51/64/348555164.db2.gz LSUYNZOFYBHWCQ-AWEZNQCLSA-N 1 2 297.420 2.307 10 0 CEAELO CC(C)(C)[N@H+]1CCO[C@@H](S(=O)(=O)c2ccccc2)CC1 ZINC000616666257 348555168 /nfs/dbraw/zinc/55/51/68/348555168.db2.gz LSUYNZOFYBHWCQ-AWEZNQCLSA-N 1 2 297.420 2.307 10 0 CEAELO COC(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000616670737 348556083 /nfs/dbraw/zinc/55/60/83/348556083.db2.gz OCECHYCHDPUJFD-GFCCVEGCSA-N 1 2 257.293 2.253 10 0 CEAELO COC(=O)N1CCc2ccccc2[C@@H]1c1ccc(N)[nH+]c1 ZINC000616677396 348557256 /nfs/dbraw/zinc/55/72/56/348557256.db2.gz MPIFKOFBLZMDDO-HNNXBMFYSA-N 1 2 283.331 2.208 10 0 CEAELO CCC[NH2+][C@@](C)(CO[C@@H](C)C(F)(F)F)C(=O)OCC ZINC000090674152 180021638 /nfs/dbraw/zinc/02/16/38/180021638.db2.gz GZCXHPXIXKAFFO-ONGXEEELSA-N 1 2 285.306 2.275 10 0 CEAELO CC[NH2+][C@](C)(CCO[C@H](C)C(F)(F)F)C(=O)OCC ZINC000090674231 180021672 /nfs/dbraw/zinc/02/16/72/180021672.db2.gz ISMAGTCBSOXALN-MWLCHTKSSA-N 1 2 285.306 2.275 10 0 CEAELO CCOC(=O)[C@@H](CCO[C@@H](C)C(F)(F)F)[NH2+]C1CC1 ZINC000090674180 180021728 /nfs/dbraw/zinc/02/17/28/180021728.db2.gz STWKMVRLBXATPM-WCBMZHEXSA-N 1 2 283.290 2.028 10 0 CEAELO CCC[NH2+][C@](C)(CO[C@H](C)C(F)(F)F)C(=O)OCC ZINC000090674155 180021921 /nfs/dbraw/zinc/02/19/21/180021921.db2.gz GZCXHPXIXKAFFO-MWLCHTKSSA-N 1 2 285.306 2.275 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874470 180049760 /nfs/dbraw/zinc/04/97/60/180049760.db2.gz SCTSVWKIJZZFAC-KGLIPLIRSA-N 1 2 277.364 2.167 10 0 CEAELO CCOC(=O)C[N@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CC1 ZINC000090894724 180055816 /nfs/dbraw/zinc/05/58/16/180055816.db2.gz DOWJYTDNPOWBMJ-CQSZACIVSA-N 1 2 293.338 2.157 10 0 CEAELO CCOC(=O)C[N@@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CC1 ZINC000090894724 180055818 /nfs/dbraw/zinc/05/58/18/180055818.db2.gz DOWJYTDNPOWBMJ-CQSZACIVSA-N 1 2 293.338 2.157 10 0 CEAELO CCOC(=O)[C@@](C)(CCS[C@H](C)CCO)[NH2+]C(C)C ZINC000091267407 180117242 /nfs/dbraw/zinc/11/72/42/180117242.db2.gz KEZKKPJFUHGHBZ-TZMCWYRMSA-N 1 2 291.457 2.200 10 0 CEAELO CCOC(=O)[C@@H](CC)[C@@H](O)c1c[nH+]cn1C(C)C ZINC000091273901 180117866 /nfs/dbraw/zinc/11/78/66/180117866.db2.gz HTOAWEDOZLLPBY-CMPLNLGQSA-N 1 2 254.330 2.087 10 0 CEAELO CC(C)n1ccc(C[C@H](O)c2c[nH+]cn2C2CC2)n1 ZINC000091277378 180119756 /nfs/dbraw/zinc/11/97/56/180119756.db2.gz QMSQGNSKGVRCNJ-AWEZNQCLSA-N 1 2 260.341 2.272 10 0 CEAELO Cn1c[nH+]cc1COc1cncc(Br)c1 ZINC000091278537 180120889 /nfs/dbraw/zinc/12/08/89/180120889.db2.gz GWZKCFAQRYYPDM-UHFFFAOYSA-N 1 2 268.114 2.157 10 0 CEAELO CC[C@@](C)([C@H](O)Cc1ccncc1Cl)[NH+]1CCOCC1 ZINC000091611105 180206843 /nfs/dbraw/zinc/20/68/43/180206843.db2.gz APCLWSJGBVQWPB-CABCVRRESA-N 1 2 298.814 2.139 10 0 CEAELO C[C@H](Cn1cc[nH+]c1)n1c(=O)c2sccc2[nH]c1=S ZINC000105045475 186038762 /nfs/dbraw/zinc/03/87/62/186038762.db2.gz WEMIBSRFIAKZLN-MRVPVSSYSA-N 1 2 292.389 2.204 10 0 CEAELO Cc1nn(C)c(C[N@H+](C)C2CCC(=O)CC2)c1Cl ZINC000091854038 180273778 /nfs/dbraw/zinc/27/37/78/180273778.db2.gz NZTNSEFMBBDFPZ-UHFFFAOYSA-N 1 2 269.776 2.325 10 0 CEAELO Cc1nn(C)c(C[N@@H+](C)C2CCC(=O)CC2)c1Cl ZINC000091854038 180273780 /nfs/dbraw/zinc/27/37/80/180273780.db2.gz NZTNSEFMBBDFPZ-UHFFFAOYSA-N 1 2 269.776 2.325 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)[C@@H]1CSc2ccccc21 ZINC000092237231 180349177 /nfs/dbraw/zinc/34/91/77/180349177.db2.gz AFPGZBGFCAEZHL-SNVBAGLBSA-N 1 2 271.345 2.492 10 0 CEAELO CC[N@@H+](CC(=O)OC)C[C@@H]1CSc2ccccc21 ZINC000092292591 180357691 /nfs/dbraw/zinc/35/76/91/180357691.db2.gz MVQUPLIGGGWOGQ-LLVKDONJSA-N 1 2 265.378 2.371 10 0 CEAELO CC[N@H+](CC(=O)OC)C[C@@H]1CSc2ccccc21 ZINC000092292591 180357692 /nfs/dbraw/zinc/35/76/92/180357692.db2.gz MVQUPLIGGGWOGQ-LLVKDONJSA-N 1 2 265.378 2.371 10 0 CEAELO CCOCCN1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1CC ZINC000105838494 186077841 /nfs/dbraw/zinc/07/78/41/186077841.db2.gz PHWHVLSIKIZCQR-AWEZNQCLSA-N 1 2 297.468 2.384 10 0 CEAELO CCOCCN1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1CC ZINC000105838494 186077842 /nfs/dbraw/zinc/07/78/42/186077842.db2.gz PHWHVLSIKIZCQR-AWEZNQCLSA-N 1 2 297.468 2.384 10 0 CEAELO O=S1(=O)C=C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000105955188 186094841 /nfs/dbraw/zinc/09/48/41/186094841.db2.gz OPLVPTZDBFKUEZ-SECBINFHSA-N 1 2 292.187 2.394 10 0 CEAELO CC(C)n1c[nH+]cc1C[N@H+](CC(=O)[O-])C(C)(C)C ZINC000092449369 180387106 /nfs/dbraw/zinc/38/71/06/180387106.db2.gz BLBNGHPRGNJEQW-UHFFFAOYSA-N 1 2 253.346 2.149 10 0 CEAELO CC(C)n1c[nH+]cc1C[N@@H+](CC(=O)[O-])C(C)(C)C ZINC000092449369 180387108 /nfs/dbraw/zinc/38/71/08/180387108.db2.gz BLBNGHPRGNJEQW-UHFFFAOYSA-N 1 2 253.346 2.149 10 0 CEAELO CCCc1nn(C)c2c1[nH+]c(N)n2Cc1ncccc1C ZINC000092580785 180407333 /nfs/dbraw/zinc/40/73/33/180407333.db2.gz IACNDRKZAXMCQI-UHFFFAOYSA-N 1 2 284.367 2.056 10 0 CEAELO CCCn1c[nH+]cc1[C@@H]1CC(=O)NC(=O)[C@@H]1CC(C)C ZINC000092682618 180429003 /nfs/dbraw/zinc/42/90/03/180429003.db2.gz AFYSLKRYSWAGOU-VXGBXAGGSA-N 1 2 277.368 2.086 10 0 CEAELO Nc1cc(C2CC2)[nH+]c(-c2ccc3c(c2)OCCO3)n1 ZINC000109527646 186260183 /nfs/dbraw/zinc/26/01/83/186260183.db2.gz HBSLRLAIGGLLGN-UHFFFAOYSA-N 1 2 269.304 2.374 10 0 CEAELO COc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)c(OC)c1 ZINC000109554348 186262852 /nfs/dbraw/zinc/26/28/52/186262852.db2.gz SCKSKQZDQKLISY-LLVKDONJSA-N 1 2 263.337 2.115 10 0 CEAELO COc1ccc(C[N@H+]2CCC(=O)[C@H](C)C2)c(OC)c1 ZINC000109554348 186262853 /nfs/dbraw/zinc/26/28/53/186262853.db2.gz SCKSKQZDQKLISY-LLVKDONJSA-N 1 2 263.337 2.115 10 0 CEAELO C[N@H+]1CCC[C@@H](Nc2cc(C(=O)[O-])[nH+]c3ccccc23)C1 ZINC000109587819 186264253 /nfs/dbraw/zinc/26/42/53/186264253.db2.gz GQVNRZLYTZZZQD-LLVKDONJSA-N 1 2 285.347 2.439 10 0 CEAELO CCOC(=O)[C@]1([NH2+]C2CCCCCC2)CCOC1 ZINC000109432186 186252557 /nfs/dbraw/zinc/25/25/57/186252557.db2.gz LWQKROQTJAWFGH-AWEZNQCLSA-N 1 2 255.358 2.021 10 0 CEAELO CCCCCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000110111165 186285931 /nfs/dbraw/zinc/28/59/31/186285931.db2.gz CLMLUOSMMWQYME-ZDUSSCGKSA-N 1 2 278.400 2.430 10 0 CEAELO CCCCCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000110111165 186285932 /nfs/dbraw/zinc/28/59/32/186285932.db2.gz CLMLUOSMMWQYME-ZDUSSCGKSA-N 1 2 278.400 2.430 10 0 CEAELO Cc1c[nH+]ccc1NS(=O)(=O)c1cnc(Cl)s1 ZINC000111043610 186347411 /nfs/dbraw/zinc/34/74/11/186347411.db2.gz WDBQDFFQAONPNN-UHFFFAOYSA-N 1 2 289.769 2.301 10 0 CEAELO Cc1c[nH+]ccc1NS(=O)(=O)c1cc(Cl)ccc1N ZINC000111043204 186347454 /nfs/dbraw/zinc/34/74/54/186347454.db2.gz CHHCYSYSPCPCSJ-UHFFFAOYSA-N 1 2 297.767 2.426 10 0 CEAELO CCOc1cc(N[C@H](C(=O)OC)C(C)C)ccc1[NH3+] ZINC000111054104 186348103 /nfs/dbraw/zinc/34/81/03/186348103.db2.gz MYXRWOYBBXINLG-ZDUSSCGKSA-N 1 2 266.341 2.277 10 0 CEAELO Nc1ccc(NC(=O)c2ccc3[nH]ccc3c2)c[nH+]1 ZINC000111289108 186391337 /nfs/dbraw/zinc/39/13/37/186391337.db2.gz YJVFDPOPMVECHL-UHFFFAOYSA-N 1 2 252.277 2.397 10 0 CEAELO CC(C)CC1(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000119037792 186796900 /nfs/dbraw/zinc/79/69/00/186796900.db2.gz YMXYFGKGROJJRP-OAHLLOKOSA-N 1 2 296.455 2.430 10 0 CEAELO Cc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCSCC2)o1 ZINC000131132211 366022866 /nfs/dbraw/zinc/02/28/66/366022866.db2.gz UUMIWKVJTHUYGO-NEPJUHHUSA-N 1 2 282.409 2.203 10 0 CEAELO Cc1nc(N2CC[C@H](O)C2)cc(-c2ccc(F)cc2)[nH+]1 ZINC000070458555 363085965 /nfs/dbraw/zinc/08/59/65/363085965.db2.gz GMBDBJBOMQIBOF-ZDUSSCGKSA-N 1 2 273.311 2.162 10 0 CEAELO Cc1cc(F)ccc1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122253489 187022816 /nfs/dbraw/zinc/02/28/16/187022816.db2.gz WAGFEAJLLWHZPA-INIZCTEOSA-N 1 2 289.354 2.232 10 0 CEAELO Cc1cc(F)ccc1C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122253489 187022817 /nfs/dbraw/zinc/02/28/17/187022817.db2.gz WAGFEAJLLWHZPA-INIZCTEOSA-N 1 2 289.354 2.232 10 0 CEAELO CC[C@@H](O)CN1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000123573478 187099242 /nfs/dbraw/zinc/09/92/42/187099242.db2.gz ZKROFGLQOSYKRI-QGZVFWFLSA-N 1 2 276.424 2.192 10 0 CEAELO CCC[C@@H](NCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000156595526 188270771 /nfs/dbraw/zinc/27/07/71/188270771.db2.gz HZGZLHNMGGOQDM-GFCCVEGCSA-N 1 2 267.373 2.020 10 0 CEAELO CCc1nnc(C[NH2+][C@@H](C)c2ccsc2)n1C ZINC000669937297 540051155 /nfs/dbraw/zinc/05/11/55/540051155.db2.gz YPJNYRPNOXZYPN-VIFPVBQESA-N 1 2 250.371 2.290 10 0 CEAELO Cc1nc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C)cs1 ZINC000134609579 366345651 /nfs/dbraw/zinc/34/56/51/366345651.db2.gz XWYYWHHNNZYVCO-UWVGGRQHSA-N 1 2 269.414 2.263 10 0 CEAELO c1ccc2[nH+]c(N3CCC(Nc4cccnn4)CC3)[nH]c2c1 ZINC000134946182 366378232 /nfs/dbraw/zinc/37/82/32/366378232.db2.gz RUEVOQUYDNIVKU-UHFFFAOYSA-N 1 2 294.362 2.434 10 0 CEAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Br)o1 ZINC000294937519 199259830 /nfs/dbraw/zinc/25/98/30/199259830.db2.gz GRWMLCGPWBMNJB-SCZZXKLOSA-N 1 2 274.158 2.387 10 0 CEAELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Br)o1 ZINC000294937519 199259832 /nfs/dbraw/zinc/25/98/32/199259832.db2.gz GRWMLCGPWBMNJB-SCZZXKLOSA-N 1 2 274.158 2.387 10 0 CEAELO CC(C)[N@@H+]1CCC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685955458 540651067 /nfs/dbraw/zinc/65/10/67/540651067.db2.gz ZOVDISJORABXOH-UHFFFAOYSA-N 1 2 296.411 2.439 10 0 CEAELO CC(C)[N@H+]1CCC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685955458 540651071 /nfs/dbraw/zinc/65/10/71/540651071.db2.gz ZOVDISJORABXOH-UHFFFAOYSA-N 1 2 296.411 2.439 10 0 CEAELO CC[C@@H](c1[nH]cc[nH+]1)N1C(=O)c2ccccc2C1=O ZINC000141552416 366565941 /nfs/dbraw/zinc/56/59/41/366565941.db2.gz MQDKOCYOBVTOHR-NSHDSACASA-N 1 2 255.277 2.157 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@@](=O)c1ccc(O)cc1 ZINC000177101454 189028521 /nfs/dbraw/zinc/02/85/21/189028521.db2.gz ZRHRFNDFLSKFGF-GOSISDBHSA-N 1 2 264.350 2.477 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@](=O)c1ccc(O)cc1 ZINC000177101466 189028957 /nfs/dbraw/zinc/02/89/57/189028957.db2.gz ZRHRFNDFLSKFGF-SFHVURJKSA-N 1 2 264.350 2.477 10 0 CEAELO COc1ccsc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177739836 189066096 /nfs/dbraw/zinc/06/60/96/189066096.db2.gz TWZQGYQMJRBPKE-LLVKDONJSA-N 1 2 291.376 2.258 10 0 CEAELO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@@H](O)C(C)C)c1C ZINC000178929483 189155539 /nfs/dbraw/zinc/15/55/39/189155539.db2.gz ACBFPSSNPRMYRJ-CQSZACIVSA-N 1 2 294.395 2.072 10 0 CEAELO CC(=O)CC(C)(C)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000191895197 189607921 /nfs/dbraw/zinc/60/79/21/189607921.db2.gz RUFHXKDJTCSHNH-CQSZACIVSA-N 1 2 291.395 2.270 10 0 CEAELO CC[C@](C)(O)CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000112078894 364772476 /nfs/dbraw/zinc/77/24/76/364772476.db2.gz USYFGHBPNUVLTQ-WFASDCNBSA-N 1 2 278.400 2.286 10 0 CEAELO CC[C@](C)(O)CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000112078894 364772478 /nfs/dbraw/zinc/77/24/78/364772478.db2.gz USYFGHBPNUVLTQ-WFASDCNBSA-N 1 2 278.400 2.286 10 0 CEAELO O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H]1c1ccco1 ZINC000116517928 365060235 /nfs/dbraw/zinc/06/02/35/365060235.db2.gz GDSAATNLVVTZJZ-CYBMUJFWSA-N 1 2 288.351 2.413 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(CCOCC1CC1)C2 ZINC000119357465 365260634 /nfs/dbraw/zinc/26/06/34/365260634.db2.gz KSGMZNYXBRZQPT-UHFFFAOYSA-N 1 2 277.412 2.328 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@H+](CCOCC1CC1)C2 ZINC000119357465 365260644 /nfs/dbraw/zinc/26/06/44/365260644.db2.gz KSGMZNYXBRZQPT-UHFFFAOYSA-N 1 2 277.412 2.328 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@@H+](CCOCC1CC1)C2 ZINC000119357465 365260650 /nfs/dbraw/zinc/26/06/50/365260650.db2.gz KSGMZNYXBRZQPT-UHFFFAOYSA-N 1 2 277.412 2.328 10 0 CEAELO COc1ccc(C[NH+]2[C@H](C)COC[C@H]2C)cc1F ZINC000120847678 365484314 /nfs/dbraw/zinc/48/43/14/365484314.db2.gz FNHCPNFRUCORPE-GHMZBOCLSA-N 1 2 253.317 2.444 10 0 CEAELO CC[C@H]1C[N@H+](Cc2ccsc2)CCN1CCOC ZINC000120973121 365505492 /nfs/dbraw/zinc/50/54/92/365505492.db2.gz BCLFKCOCLXEGIO-AWEZNQCLSA-N 1 2 268.426 2.291 10 0 CEAELO CC[C@H]1C[N@@H+](Cc2ccsc2)CCN1CCOC ZINC000120973121 365505497 /nfs/dbraw/zinc/50/54/97/365505497.db2.gz BCLFKCOCLXEGIO-AWEZNQCLSA-N 1 2 268.426 2.291 10 0 CEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ncc(C)o1 ZINC000245450021 370820960 /nfs/dbraw/zinc/82/09/60/370820960.db2.gz OFAAQZQLZIUSHN-AVGNSLFASA-N 1 2 278.352 2.289 10 0 CEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ncc(C)o1 ZINC000245450021 370820966 /nfs/dbraw/zinc/82/09/66/370820966.db2.gz OFAAQZQLZIUSHN-AVGNSLFASA-N 1 2 278.352 2.289 10 0 CEAELO C[C@@H](Nc1[nH+]cnc(-n2cccn2)c1N)c1cccc(O)c1 ZINC000162959436 367207376 /nfs/dbraw/zinc/20/73/76/367207376.db2.gz VJCFEGVKGQKGPK-SNVBAGLBSA-N 1 2 296.334 2.123 10 0 CEAELO C[C@H]1C[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000170812216 367421420 /nfs/dbraw/zinc/42/14/20/367421420.db2.gz GGBZVOFUSRBMKW-AAEUAGOBSA-N 1 2 270.336 2.080 10 0 CEAELO CCOCCN1CC[N@H+](Cc2ccccc2OC)C[C@H]1C ZINC000245714757 370861912 /nfs/dbraw/zinc/86/19/12/370861912.db2.gz GQNNCJKJQOXDFP-OAHLLOKOSA-N 1 2 292.423 2.238 10 0 CEAELO CCOCCN1CC[N@@H+](Cc2ccccc2OC)C[C@H]1C ZINC000245714757 370861916 /nfs/dbraw/zinc/86/19/16/370861916.db2.gz GQNNCJKJQOXDFP-OAHLLOKOSA-N 1 2 292.423 2.238 10 0 CEAELO Clc1cncc(N2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000171365002 367528163 /nfs/dbraw/zinc/52/81/63/367528163.db2.gz KORVVEBHVVZICA-LLVKDONJSA-N 1 2 289.770 2.463 10 0 CEAELO CC[C@@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000171535892 367561648 /nfs/dbraw/zinc/56/16/48/367561648.db2.gz ODAMLASJMZYUKF-HOCLYGCPSA-N 1 2 290.407 2.017 10 0 CEAELO CC[C@@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000171535892 367561655 /nfs/dbraw/zinc/56/16/55/367561655.db2.gz ODAMLASJMZYUKF-HOCLYGCPSA-N 1 2 290.407 2.017 10 0 CEAELO CCc1nnc(C[N@H+](C)[C@H](C)c2cccc(O)c2)n1C ZINC000171939267 367643249 /nfs/dbraw/zinc/64/32/49/367643249.db2.gz SCBJGKPWQPGNRW-LLVKDONJSA-N 1 2 274.368 2.276 10 0 CEAELO CCc1nnc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)n1C ZINC000171939267 367643257 /nfs/dbraw/zinc/64/32/57/367643257.db2.gz SCBJGKPWQPGNRW-LLVKDONJSA-N 1 2 274.368 2.276 10 0 CEAELO CCc1nnc([C@H]2C[N@H+](C/C=C/c3ccccc3)CCO2)[nH]1 ZINC000173689374 367933855 /nfs/dbraw/zinc/93/38/55/367933855.db2.gz IOSIUYBTHKXATP-RZIFZGNASA-N 1 2 298.390 2.454 10 0 CEAELO CCc1nnc([C@H]2C[N@@H+](C/C=C/c3ccccc3)CCO2)[nH]1 ZINC000173689374 367933859 /nfs/dbraw/zinc/93/38/59/367933859.db2.gz IOSIUYBTHKXATP-RZIFZGNASA-N 1 2 298.390 2.454 10 0 CEAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000186397237 368967939 /nfs/dbraw/zinc/96/79/39/368967939.db2.gz KHQYHIGFBWWDFJ-MRXNPFEDSA-N 1 2 293.338 2.426 10 0 CEAELO COC(=O)[C@@]1(C)CCC[N@H+]1CCC(=O)c1ccc(F)cc1 ZINC000186397237 368967943 /nfs/dbraw/zinc/96/79/43/368967943.db2.gz KHQYHIGFBWWDFJ-MRXNPFEDSA-N 1 2 293.338 2.426 10 0 CEAELO CCn1cc[nH+]c1CSc1nccn2ccnc12 ZINC000188058970 369286990 /nfs/dbraw/zinc/28/69/90/369286990.db2.gz DWZMJHZPJHBHLL-UHFFFAOYSA-N 1 2 259.338 2.238 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000189080548 369453342 /nfs/dbraw/zinc/45/33/42/369453342.db2.gz UNAAYVRSSJGEDD-MRVPVSSYSA-N 1 2 258.774 2.112 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000189080548 369453350 /nfs/dbraw/zinc/45/33/50/369453350.db2.gz UNAAYVRSSJGEDD-MRVPVSSYSA-N 1 2 258.774 2.112 10 0 CEAELO CC(C)(C)OC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000246600907 370984108 /nfs/dbraw/zinc/98/41/08/370984108.db2.gz BIDZTTOAYVRHTP-CHWSQXEVSA-N 1 2 299.436 2.297 10 0 CEAELO CC(C)(C)OC[C@H](O)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000246600907 370984113 /nfs/dbraw/zinc/98/41/13/370984113.db2.gz BIDZTTOAYVRHTP-CHWSQXEVSA-N 1 2 299.436 2.297 10 0 CEAELO CCn1c(C)nnc1C[N@@H+]1CCc2ccccc2C1 ZINC000195006653 370094032 /nfs/dbraw/zinc/09/40/32/370094032.db2.gz RLERBPOHKZDTCE-UHFFFAOYSA-N 1 2 256.353 2.165 10 0 CEAELO CCn1c(C)nnc1C[N@H+]1CCc2ccccc2C1 ZINC000195006653 370094037 /nfs/dbraw/zinc/09/40/37/370094037.db2.gz RLERBPOHKZDTCE-UHFFFAOYSA-N 1 2 256.353 2.165 10 0 CEAELO C[C@H](c1ccc(F)cc1)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247021067 371049024 /nfs/dbraw/zinc/04/90/24/371049024.db2.gz CQBOZCIOXMIFDS-CZUORRHYSA-N 1 2 289.354 2.484 10 0 CEAELO C[C@H](c1ccc(F)cc1)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247021067 371049028 /nfs/dbraw/zinc/04/90/28/371049028.db2.gz CQBOZCIOXMIFDS-CZUORRHYSA-N 1 2 289.354 2.484 10 0 CEAELO Cc1nccc(-c2ccc(-n3cc[nH+]c3)c(N)c2)n1 ZINC000253561116 371528585 /nfs/dbraw/zinc/52/85/85/371528585.db2.gz BRVGTTSJGORULO-UHFFFAOYSA-N 1 2 251.293 2.220 10 0 CEAELO C[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H](C)O1 ZINC000253600921 371532615 /nfs/dbraw/zinc/53/26/15/371532615.db2.gz DARLTIGMWJHLEN-VXGBXAGGSA-N 1 2 253.317 2.314 10 0 CEAELO Cc1ccccc1[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263245864 371932845 /nfs/dbraw/zinc/93/28/45/371932845.db2.gz PGYFMGQZADIDQN-JSGCOSHPSA-N 1 2 294.345 2.308 10 0 CEAELO CC(C)[C@@H](NC(=O)[C@H]1CCc2cccnc21)c1[nH]cc[nH+]1 ZINC000333480828 205358815 /nfs/dbraw/zinc/35/88/15/205358815.db2.gz PIARWMJPNMPRBU-QWHCGFSZSA-N 1 2 284.363 2.348 10 0 CEAELO Brc1cccc2c1CC[C@H]2[NH2+]Cc1cnn[nH]1 ZINC000398293524 375347893 /nfs/dbraw/zinc/34/78/93/375347893.db2.gz CDYAUCMZJMUNPJ-GFCCVEGCSA-N 1 2 293.168 2.344 10 0 CEAELO Brc1cccc2c1CC[C@H]2[NH2+]Cc1c[nH]nn1 ZINC000398293524 375347898 /nfs/dbraw/zinc/34/78/98/375347898.db2.gz CDYAUCMZJMUNPJ-GFCCVEGCSA-N 1 2 293.168 2.344 10 0 CEAELO Brc1cccc2c1CC[C@H]2[NH2+]Cc1cn[nH]n1 ZINC000398293524 375347903 /nfs/dbraw/zinc/34/79/03/375347903.db2.gz CDYAUCMZJMUNPJ-GFCCVEGCSA-N 1 2 293.168 2.344 10 0 CEAELO O=C(c1ccc2[nH+]ccn2c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000172119770 296243356 /nfs/dbraw/zinc/24/33/56/296243356.db2.gz KTTOMAIRKDRELL-CQSZACIVSA-N 1 2 295.346 2.425 10 0 CEAELO c1cn(C[C@@H]2CCCN2c2ncnc3ccccc32)c[nH+]1 ZINC000267440420 190330841 /nfs/dbraw/zinc/33/08/41/190330841.db2.gz YRZCNPDVFKRYIB-ZDUSSCGKSA-N 1 2 279.347 2.495 10 0 CEAELO CC(C)[N@@H+]1CCO[C@@H](COc2cccc3c2CCC3=O)C1 ZINC000080746642 177701801 /nfs/dbraw/zinc/70/18/01/177701801.db2.gz ORSPLDRYSJECAC-CYBMUJFWSA-N 1 2 289.375 2.304 10 0 CEAELO CC(C)[N@H+]1CCO[C@@H](COc2cccc3c2CCC3=O)C1 ZINC000080746642 177701802 /nfs/dbraw/zinc/70/18/02/177701802.db2.gz ORSPLDRYSJECAC-CYBMUJFWSA-N 1 2 289.375 2.304 10 0 CEAELO COC(=O)[C@@]1([NH2+]C2CCCCC2)CS[C@@H](C)C1 ZINC000094474208 184807901 /nfs/dbraw/zinc/80/79/01/184807901.db2.gz NYFLBPBMTDRETN-GWCFXTLKSA-N 1 2 257.399 2.346 10 0 CEAELO Cc1c[nH+]c2c(c1)NC(=O)[C@@H]1Cc3ccccc3CN21 ZINC000092564602 135077101 /nfs/dbraw/zinc/07/71/01/135077101.db2.gz UPSWYJJZMBAUDB-AWEZNQCLSA-N 1 2 265.316 2.273 10 0 CEAELO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([NH3+])cc1C(=O)[O-] ZINC000094443760 135088543 /nfs/dbraw/zinc/08/85/43/135088543.db2.gz DUPFZZFNXJFLKO-WCQYABFASA-N 1 2 289.379 2.030 10 0 CEAELO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([NH3+])cc1C(=O)[O-] ZINC000094443760 135088545 /nfs/dbraw/zinc/08/85/45/135088545.db2.gz DUPFZZFNXJFLKO-WCQYABFASA-N 1 2 289.379 2.030 10 0 CEAELO Cc1nc(N[C@H](C)[C@@H](C)O)c(Br)c(C)[nH+]1 ZINC000306483308 394515913 /nfs/dbraw/zinc/51/59/13/394515913.db2.gz FDDMRSAZMNYMBI-IYSWYEEDSA-N 1 2 274.162 2.037 10 0 CEAELO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183100739 395251884 /nfs/dbraw/zinc/25/18/84/395251884.db2.gz PBMZEESYOXWLIK-AGIUHOORSA-N 1 2 257.374 2.121 10 0 CEAELO CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1conc1C ZINC000397881908 400559737 /nfs/dbraw/zinc/55/97/37/400559737.db2.gz BDTBQGSMDHYCBM-GJZGRUSLSA-N 1 2 263.385 2.432 10 0 CEAELO CC[C@H]1CN2CCCC[C@H]2C[N@H+]1Cc1conc1C ZINC000397881908 400559743 /nfs/dbraw/zinc/55/97/43/400559743.db2.gz BDTBQGSMDHYCBM-GJZGRUSLSA-N 1 2 263.385 2.432 10 0 CEAELO Cc1cccc(OCC[N@@H+](C)Cc2nnnn2C(C)C)c1 ZINC000195039222 153268771 /nfs/dbraw/zinc/26/87/71/153268771.db2.gz MMPIDLAVASJHJP-UHFFFAOYSA-N 1 2 289.383 2.073 10 0 CEAELO Cc1cccc(OCC[N@H+](C)Cc2nnnn2C(C)C)c1 ZINC000195039222 153268773 /nfs/dbraw/zinc/26/87/73/153268773.db2.gz MMPIDLAVASJHJP-UHFFFAOYSA-N 1 2 289.383 2.073 10 0 CEAELO CCc1csc([C@@H]2CCC[N@H+](CC(=O)OC)C2)n1 ZINC000195442757 153287030 /nfs/dbraw/zinc/28/70/30/153287030.db2.gz ZSQYAONYNSTVBD-SNVBAGLBSA-N 1 2 268.382 2.058 10 0 CEAELO CCc1csc([C@@H]2CCC[N@@H+](CC(=O)OC)C2)n1 ZINC000195442757 153287033 /nfs/dbraw/zinc/28/70/33/153287033.db2.gz ZSQYAONYNSTVBD-SNVBAGLBSA-N 1 2 268.382 2.058 10 0 CEAELO CC(C)n1cc[nH+]c1Cn1nnc(-c2ccccc2)n1 ZINC000195516387 153291859 /nfs/dbraw/zinc/29/18/59/153291859.db2.gz DXJGWJXUCBGNEB-UHFFFAOYSA-N 1 2 268.324 2.166 10 0 CEAELO CCc1nc(CS(=O)(=O)Cc2[nH+]ccn2CC)cs1 ZINC000195519917 153292553 /nfs/dbraw/zinc/29/25/53/153292553.db2.gz KJSCNEAYGXXQEK-UHFFFAOYSA-N 1 2 299.421 2.037 10 0 CEAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCCC2)o1 ZINC000230644141 153393365 /nfs/dbraw/zinc/39/33/65/153393365.db2.gz PSTFLGDJUKRFOS-STQMWFEESA-N 1 2 279.384 2.425 10 0 CEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000263275170 154047609 /nfs/dbraw/zinc/04/76/09/154047609.db2.gz STAFYIYFBPPHBY-UONOGXRCSA-N 1 2 294.345 2.075 10 0 CEAELO CNC(=O)[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000161692680 162329892 /nfs/dbraw/zinc/32/98/92/162329892.db2.gz BZQXQIDVKRGIDA-NEPJUHHUSA-N 1 2 290.411 2.491 10 0 CEAELO CC(C)NC(=O)C[N@H+](C)Cc1ccc2ccccc2n1 ZINC000007250225 170273481 /nfs/dbraw/zinc/27/34/81/170273481.db2.gz DCBIAQNYUCRRFP-UHFFFAOYSA-N 1 2 271.364 2.191 10 0 CEAELO CC(C)NC(=O)C[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000007250225 170273483 /nfs/dbraw/zinc/27/34/83/170273483.db2.gz DCBIAQNYUCRRFP-UHFFFAOYSA-N 1 2 271.364 2.191 10 0 CEAELO Cc1ccc(S(=O)(=O)Nc2ccc(C[NH3+])cc2)s1 ZINC000020224376 171086496 /nfs/dbraw/zinc/08/64/96/171086496.db2.gz KVFRSCGSVGJTAU-UHFFFAOYSA-N 1 2 282.390 2.316 10 0 CEAELO Cc1nn(Cc2cn3ccccc3[nH+]2)c(C)c1C=O ZINC000036868047 172765686 /nfs/dbraw/zinc/76/56/86/172765686.db2.gz KLNVBOYRAKSVNL-UHFFFAOYSA-N 1 2 254.293 2.008 10 0 CEAELO CCC(C)(C)NC(=O)CSc1ccc(N)[nH+]c1 ZINC000037192328 173021353 /nfs/dbraw/zinc/02/13/53/173021353.db2.gz LSEQLMFVWWNYHG-UHFFFAOYSA-N 1 2 253.371 2.061 10 0 CEAELO C[C@@H](Sc1ccc(N)[nH+]c1)C(=O)N1CCCCC1 ZINC000037192520 173022407 /nfs/dbraw/zinc/02/24/07/173022407.db2.gz ZFRXIHKTEZVXCN-SNVBAGLBSA-N 1 2 265.382 2.157 10 0 CEAELO C[C@@H]1COCC[N@@H+]1CCCC(=O)c1cccs1 ZINC000037323445 173124406 /nfs/dbraw/zinc/12/44/06/173124406.db2.gz QSQYCSDLHBNKJX-LLVKDONJSA-N 1 2 253.367 2.432 10 0 CEAELO C[C@@H]1COCC[N@H+]1CCCC(=O)c1cccs1 ZINC000037323445 173124407 /nfs/dbraw/zinc/12/44/07/173124407.db2.gz QSQYCSDLHBNKJX-LLVKDONJSA-N 1 2 253.367 2.432 10 0 CEAELO CC[C@@H](C(=O)c1ccccc1)[N@@H+]1CCCN(C)CC1 ZINC000037333672 173135742 /nfs/dbraw/zinc/13/57/42/173135742.db2.gz UCJNZFUVCAWOEV-HNNXBMFYSA-N 1 2 260.381 2.285 10 0 CEAELO CC[C@@H](C(=O)c1ccccc1)[N@H+]1CCCN(C)CC1 ZINC000037333672 173135743 /nfs/dbraw/zinc/13/57/43/173135743.db2.gz UCJNZFUVCAWOEV-HNNXBMFYSA-N 1 2 260.381 2.285 10 0 CEAELO CCC[C@@H](C)[N@H+](C)CC(=O)c1ccc(O)cc1O ZINC000037339233 173140284 /nfs/dbraw/zinc/14/02/84/173140284.db2.gz BBECNMIXSJEFBE-SNVBAGLBSA-N 1 2 251.326 2.401 10 0 CEAELO CCC[C@@H](C)[N@@H+](C)CC(=O)c1ccc(O)cc1O ZINC000037339233 173140285 /nfs/dbraw/zinc/14/02/85/173140285.db2.gz BBECNMIXSJEFBE-SNVBAGLBSA-N 1 2 251.326 2.401 10 0 CEAELO COC(=O)[C@@](C)(CCc1ccc(O)cc1)[NH2+]C1CC1 ZINC000037514026 173245328 /nfs/dbraw/zinc/24/53/28/173245328.db2.gz FPDVJJZHMJBIND-OAHLLOKOSA-N 1 2 263.337 2.009 10 0 CEAELO COc1cccc2cc(C[NH2+]Cc3nc(C)no3)oc21 ZINC000038034076 174032343 /nfs/dbraw/zinc/03/23/43/174032343.db2.gz HGYXCYRXUKQEST-UHFFFAOYSA-N 1 2 273.292 2.423 10 0 CEAELO CC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000038067207 174079213 /nfs/dbraw/zinc/07/92/13/174079213.db2.gz XARVROFYRXKATM-GWCFXTLKSA-N 1 2 251.326 2.297 10 0 CEAELO COC(=O)[C@@H](CO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000039946263 174176253 /nfs/dbraw/zinc/17/62/53/174176253.db2.gz VAAGDABRDJFHHK-QGZVFWFLSA-N 1 2 299.370 2.223 10 0 CEAELO CCNc1[nH+]cnc(Nc2ccc(C(=O)OC)cc2)c1N ZINC000040707393 174379420 /nfs/dbraw/zinc/37/94/20/174379420.db2.gz ZUYCTDTWGUFWAY-UHFFFAOYSA-N 1 2 287.323 2.021 10 0 CEAELO O[C@@H]1C[C@H](Nc2[nH+]ccc3ccc(F)cc32)[C@H]1n1cccn1 ZINC000664113199 415174776 /nfs/dbraw/zinc/17/47/76/415174776.db2.gz MOZAMGHZVFZPGK-RRFJBIMHSA-N 1 2 298.321 2.357 10 0 CEAELO CCOC(=O)[C@@](C)(CCN(CC)c1ccccc1)[NH2+]C ZINC000045232147 175335848 /nfs/dbraw/zinc/33/58/48/175335848.db2.gz ZKLOAJMEQXFTBQ-MRXNPFEDSA-N 1 2 278.396 2.444 10 0 CEAELO CCCN(CC[C@](C)([NH2+]CC)C(=O)OC)CC(F)(F)F ZINC000045274441 175345167 /nfs/dbraw/zinc/34/51/67/175345167.db2.gz LZENFDSJUUGIQE-LBPRGKRZSA-N 1 2 298.349 2.192 10 0 CEAELO CC(C)C[N@H+](C[C@@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045280665 175351445 /nfs/dbraw/zinc/35/14/45/175351445.db2.gz HCYUTHSRIDOXNY-CQSZACIVSA-N 1 2 258.406 2.194 10 0 CEAELO CC(C)C[N@@H+](C[C@@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045280665 175351446 /nfs/dbraw/zinc/35/14/46/175351446.db2.gz HCYUTHSRIDOXNY-CQSZACIVSA-N 1 2 258.406 2.194 10 0 CEAELO CC[N@H+](CCC[C@](C)([NH3+])C(=O)[O-])c1ccccc1C ZINC000045369628 175363506 /nfs/dbraw/zinc/36/35/06/175363506.db2.gz LJCWLIBHZQFIAJ-HNNXBMFYSA-N 1 2 264.369 2.404 10 0 CEAELO CC[N@@H+](CCC[C@](C)([NH3+])C(=O)[O-])c1ccccc1C ZINC000045369628 175363507 /nfs/dbraw/zinc/36/35/07/175363507.db2.gz LJCWLIBHZQFIAJ-HNNXBMFYSA-N 1 2 264.369 2.404 10 0 CEAELO CCOC(=O)[C@H](CN(CC(F)(F)F)C(C)C)[NH2+]C(C)C ZINC000045420472 175378668 /nfs/dbraw/zinc/37/86/68/175378668.db2.gz GNXBCSCHRAOKTO-NSHDSACASA-N 1 2 298.349 2.189 10 0 CEAELO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265919 176099039 /nfs/dbraw/zinc/09/90/39/176099039.db2.gz JMPDJASSLRBHFR-MFKMUULPSA-N 1 2 296.411 2.459 10 0 CEAELO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265919 176099040 /nfs/dbraw/zinc/09/90/40/176099040.db2.gz JMPDJASSLRBHFR-MFKMUULPSA-N 1 2 296.411 2.459 10 0 CEAELO Cc1ccn2cc(CCNC(=O)c3cccnc3)[nH+]c2c1 ZINC000071490317 176190189 /nfs/dbraw/zinc/19/01/89/176190189.db2.gz NQTPKKHBKVKSLM-UHFFFAOYSA-N 1 2 280.331 2.010 10 0 CEAELO Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)cc[nH+]1 ZINC000074670162 176597113 /nfs/dbraw/zinc/59/71/13/176597113.db2.gz DSNLRACDCHFGMV-JTQLQIEISA-N 1 2 297.314 2.362 10 0 CEAELO CCN(C(=O)C[NH+]1[C@@H](C)COC[C@@H]1C)c1ccccc1 ZINC000077657771 177291540 /nfs/dbraw/zinc/29/15/40/177291540.db2.gz OHSPXSFZCIWYRZ-KBPBESRZSA-N 1 2 276.380 2.149 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cc(F)c(F)cc1Cl ZINC000078723238 177375720 /nfs/dbraw/zinc/37/57/20/177375720.db2.gz BGVZPBLAHFZBHU-UHFFFAOYSA-N 1 2 285.681 2.314 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cc(F)c(F)cc1Cl ZINC000078723238 177375722 /nfs/dbraw/zinc/37/57/22/177375722.db2.gz BGVZPBLAHFZBHU-UHFFFAOYSA-N 1 2 285.681 2.314 10 0 CEAELO C[N@@H+]1Cc2cccc(NC(=O)c3cccnc3)c2C1 ZINC000169814960 277208920 /nfs/dbraw/zinc/20/89/20/277208920.db2.gz JMMSUBVXRSZRAI-UHFFFAOYSA-N 1 2 253.305 2.279 10 0 CEAELO C[N@H+]1Cc2cccc(NC(=O)c3cccnc3)c2C1 ZINC000169814960 277208922 /nfs/dbraw/zinc/20/89/22/277208922.db2.gz JMMSUBVXRSZRAI-UHFFFAOYSA-N 1 2 253.305 2.279 10 0 CEAELO C[C@H](O)C[N@@H+]1CCN(C[C@@H](C)Cc2ccccc2)C[C@H]1C ZINC000248618620 278294694 /nfs/dbraw/zinc/29/46/94/278294694.db2.gz ZQMCRYPJURWHSG-BBWFWOEESA-N 1 2 290.451 2.252 10 0 CEAELO C[C@H](O)C[N@H+]1CCN(C[C@@H](C)Cc2ccccc2)C[C@H]1C ZINC000248618620 278294695 /nfs/dbraw/zinc/29/46/95/278294695.db2.gz ZQMCRYPJURWHSG-BBWFWOEESA-N 1 2 290.451 2.252 10 0 CEAELO CCn1cc[nH+]c1CNc1ccc(F)cc1C(=O)N(C)C ZINC000185202910 280121658 /nfs/dbraw/zinc/12/16/58/280121658.db2.gz AXJSFWDUCNEPLS-UHFFFAOYSA-N 1 2 290.342 2.356 10 0 CEAELO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)o1 ZINC000189085365 280142667 /nfs/dbraw/zinc/14/26/67/280142667.db2.gz SYQFVEAVIGLMTO-MDZLAQPJSA-N 1 2 262.353 2.113 10 0 CEAELO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)o1 ZINC000189085365 280142674 /nfs/dbraw/zinc/14/26/74/280142674.db2.gz SYQFVEAVIGLMTO-MDZLAQPJSA-N 1 2 262.353 2.113 10 0 CEAELO O=C1NCCNc2c3ccc(Br)cc3[nH+]cc21 ZINC000053994624 280290532 /nfs/dbraw/zinc/29/05/32/280290532.db2.gz KRGMWROIYANQTI-UHFFFAOYSA-N 1 2 292.136 2.153 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2F)o1 ZINC000230643593 281634608 /nfs/dbraw/zinc/63/46/08/281634608.db2.gz PQNBCRDGHKMQJM-SNVBAGLBSA-N 1 2 277.299 2.411 10 0 CEAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000245730633 290108877 /nfs/dbraw/zinc/10/88/77/290108877.db2.gz RTZRDUMISURIKR-QKPAOTATSA-N 1 2 294.439 2.040 10 0 CEAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000245730633 290108878 /nfs/dbraw/zinc/10/88/78/290108878.db2.gz RTZRDUMISURIKR-QKPAOTATSA-N 1 2 294.439 2.040 10 0 CEAELO O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263292653 303890605 /nfs/dbraw/zinc/89/06/05/303890605.db2.gz VXJKZWSYMWMJQK-NNYUYHANSA-N 1 2 272.339 2.069 10 0 CEAELO CCC1CCC([N@H+](C)C[C@@]([NH2+]C)(C(=O)[O-])C2CC2)CC1 ZINC000069183667 519853394 /nfs/dbraw/zinc/85/33/94/519853394.db2.gz HLHCCVAMKIDDSL-PXCJXSSVSA-N 1 2 282.428 2.340 10 0 CEAELO CCC1CCC([N@@H+](C)C[C@@]([NH2+]C)(C(=O)[O-])C2CC2)CC1 ZINC000069183667 519853395 /nfs/dbraw/zinc/85/33/95/519853395.db2.gz HLHCCVAMKIDDSL-PXCJXSSVSA-N 1 2 282.428 2.340 10 0 CEAELO CC[NH2+][C@H](CCN(C)c1ccc(C)cc1)C(=O)OCC ZINC000062529632 520186508 /nfs/dbraw/zinc/18/65/08/520186508.db2.gz ULNYQRZVISNMBL-OAHLLOKOSA-N 1 2 278.396 2.363 10 0 CEAELO CCOC(=O)[C@@H](CCN(C)c1ccc(CC)cc1)[NH2+]C ZINC000062528594 521056959 /nfs/dbraw/zinc/05/69/59/521056959.db2.gz VCZOZSSBBODEGU-OAHLLOKOSA-N 1 2 278.396 2.226 10 0 CEAELO CCCN(CC[C@@H]([NH2+]C(C)C)C(=O)OC)CC(F)(F)F ZINC000062456037 521670005 /nfs/dbraw/zinc/67/00/05/521670005.db2.gz ARKSUPBTGVFFRF-LLVKDONJSA-N 1 2 298.349 2.190 10 0 CEAELO C[NH2+][C@H](CCOc1cc(C)cc(C)c1C)C(=O)OC ZINC000062551314 522462330 /nfs/dbraw/zinc/46/23/30/522462330.db2.gz HKGYFPSQDALSJW-CYBMUJFWSA-N 1 2 265.353 2.142 10 0 CEAELO C[NH2+][C@](CSc1ccc(F)cc1)(C(=O)OC)C1CC1 ZINC000069186733 522532573 /nfs/dbraw/zinc/53/25/73/522532573.db2.gz BQSCLXPVRSHKHV-AWEZNQCLSA-N 1 2 283.368 2.459 10 0 CEAELO CC(C)C1=NN(c2ccccc2F)C(=O)[C@H]1CC[NH3+] ZINC000069506101 519558735 /nfs/dbraw/zinc/55/87/35/519558735.db2.gz XRJDZKCNWBEDNE-JTQLQIEISA-N 1 2 263.316 2.149 10 0 CEAELO CCNC(=O)c1cccc(NCc2[nH]c[nH+]c2C)c1 ZINC000054794879 519900107 /nfs/dbraw/zinc/90/01/07/519900107.db2.gz GNHRCMUKFIRIGI-UHFFFAOYSA-N 1 2 258.325 2.080 10 0 CEAELO CCCC1CC[NH+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069231656 519902349 /nfs/dbraw/zinc/90/23/49/519902349.db2.gz KRAOGWALBWOUTN-QGZVFWFLSA-N 1 2 294.439 2.484 10 0 CEAELO CCC[NH2+][C@](C)(Cn1c(C)nc2ccccc21)C(=O)OC ZINC000045431450 520117560 /nfs/dbraw/zinc/11/75/60/520117560.db2.gz TUVBSBUZZOIWCZ-MRXNPFEDSA-N 1 2 289.379 2.276 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)n1nc(C)c(C)c1C)C(=O)OC ZINC000068649101 520147685 /nfs/dbraw/zinc/14/76/85/520147685.db2.gz BWAIMKXSVVCSJQ-BONVTDFDSA-N 1 2 281.400 2.301 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)OCCOC(C)C)C(=O)OCC ZINC000068654328 520147783 /nfs/dbraw/zinc/14/77/83/520147783.db2.gz KNBQMSZFTZECNT-ZFWWWQNUSA-N 1 2 289.416 2.138 10 0 CEAELO CC[NH2+][C@@](COc1ccc(C)cc1)(C(=O)OC)C1CC1 ZINC000069196053 520156950 /nfs/dbraw/zinc/15/69/50/520156950.db2.gz CPUNTWGASFCREF-MRXNPFEDSA-N 1 2 277.364 2.305 10 0 CEAELO CC[NH2+][C@H](CCN(C)c1ccc(CC)cc1)C(=O)OC ZINC000062528688 520187801 /nfs/dbraw/zinc/18/78/01/520187801.db2.gz KOEMBMCYOLIQLE-OAHLLOKOSA-N 1 2 278.396 2.226 10 0 CEAELO CC[NH2+][C@](C[N@H+](C)C1CCC(C)CC1)(C(=O)[O-])C1CC1 ZINC000069146424 520243065 /nfs/dbraw/zinc/24/30/65/520243065.db2.gz VBDHFFLIFGJXBX-PXCJXSSVSA-N 1 2 282.428 2.340 10 0 CEAELO CC[NH2+][C@](C[N@@H+](C)C1CCC(C)CC1)(C(=O)[O-])C1CC1 ZINC000069146424 520243068 /nfs/dbraw/zinc/24/30/68/520243068.db2.gz VBDHFFLIFGJXBX-PXCJXSSVSA-N 1 2 282.428 2.340 10 0 CEAELO CC[NH2+][C@](CN(C)c1ccccc1F)(C(=O)OC)C1CC1 ZINC000069231452 520245381 /nfs/dbraw/zinc/24/53/81/520245381.db2.gz BKTCGOAZVACNDJ-INIZCTEOSA-N 1 2 294.370 2.193 10 0 CEAELO CCNc1cc(CSc2nnc(C)o2)cc[nH+]1 ZINC000052756644 520272778 /nfs/dbraw/zinc/27/27/78/520272778.db2.gz FUHRMZPLKMBCLO-UHFFFAOYSA-N 1 2 250.327 2.497 10 0 CEAELO CCNc1cc(Cn2c(=O)cnc3ccccc32)cc[nH+]1 ZINC000052732549 520273352 /nfs/dbraw/zinc/27/33/52/520273352.db2.gz RXNUCTBRSMRMDA-UHFFFAOYSA-N 1 2 280.331 2.272 10 0 CEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000184165691 520594585 /nfs/dbraw/zinc/59/45/85/520594585.db2.gz VNRPGKXKZYKXFS-OAHLLOKOSA-N 1 2 276.380 2.434 10 0 CEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000184165691 520594592 /nfs/dbraw/zinc/59/45/92/520594592.db2.gz VNRPGKXKZYKXFS-OAHLLOKOSA-N 1 2 276.380 2.434 10 0 CEAELO CCC[C@@H](C)[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)OCC ZINC000049953808 520669037 /nfs/dbraw/zinc/66/90/37/520669037.db2.gz YSAAJSBVMSWAIO-FRRDWIJNSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@@H](CCN1CCc2ccccc21)[NH2+]C(C)C ZINC000062439218 521059317 /nfs/dbraw/zinc/05/93/17/521059317.db2.gz JATLHMSFFZSTKU-OAHLLOKOSA-N 1 2 290.407 2.369 10 0 CEAELO CCOC(=O)[C@@H](CCOCCC(C)C)[NH2+]C(C)C ZINC000062544014 521060660 /nfs/dbraw/zinc/06/06/60/521060660.db2.gz NBUFAERMEKFPCU-CYBMUJFWSA-N 1 2 259.390 2.369 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccccc1OCC)[NH2+]C ZINC000062548173 521063046 /nfs/dbraw/zinc/06/30/46/521063046.db2.gz IFJBXJXJCYPVQS-GFCCVEGCSA-N 1 2 281.352 2.005 10 0 CEAELO CCOC(=O)[C@@](CN(C)c1cccc(C)c1)([NH2+]C)C1CC1 ZINC000069231385 521167731 /nfs/dbraw/zinc/16/77/31/521167731.db2.gz WHPZOZSMAINJDV-KRWDZBQOSA-N 1 2 290.407 2.363 10 0 CEAELO CCOC(=O)[C@@](CSCC)([NH2+]C1CC1)C1CC1 ZINC000069185066 521168783 /nfs/dbraw/zinc/16/87/83/521168783.db2.gz WHNWCBWJEPCJOI-ZDUSSCGKSA-N 1 2 257.399 2.203 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccccc1OC)[NH2+]C(C)C ZINC000062550280 521246794 /nfs/dbraw/zinc/24/67/94/521246794.db2.gz ZDEBREACSJGJCR-ZDUSSCGKSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@H](CCO[C@H]1CCCC[C@@H]1C)[NH2+]C ZINC000062543861 521248281 /nfs/dbraw/zinc/24/82/81/521248281.db2.gz VGDPHYUKEKTKNJ-AVGNSLFASA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@](C)([NH3+])c1ccc(F)c(Br)c1 ZINC000061689310 521330172 /nfs/dbraw/zinc/33/01/72/521330172.db2.gz GQTFGMYFPXNAHJ-LLVKDONJSA-N 1 2 290.132 2.325 10 0 CEAELO CCOC(=O)[C@](CO[C@@H](C)CC(C)C)([NH2+]C)C1CC1 ZINC000069196530 521342605 /nfs/dbraw/zinc/34/26/05/521342605.db2.gz VBSCERQLXRRZND-SWLSCSKDSA-N 1 2 271.401 2.369 10 0 CEAELO CCOC(=O)[C@](COc1cccc(C)c1)([NH2+]C)C1CC1 ZINC000069197433 521343966 /nfs/dbraw/zinc/34/39/66/521343966.db2.gz WIENRHOALMCSAG-MRXNPFEDSA-N 1 2 277.364 2.305 10 0 CEAELO COC(=O)c1ccc(Cl)cc1NCc1c[nH+]c[nH]1 ZINC000054764285 522062261 /nfs/dbraw/zinc/06/22/61/522062261.db2.gz DROQCRAUNRUBPN-UHFFFAOYSA-N 1 2 265.700 2.462 10 0 CEAELO COC(=O)c1ccc(Cl)cc1NCc1c[nH]c[nH+]1 ZINC000054764285 522062264 /nfs/dbraw/zinc/06/22/64/522062264.db2.gz DROQCRAUNRUBPN-UHFFFAOYSA-N 1 2 265.700 2.462 10 0 CEAELO CC[C@@H](C)[NH+]1CCN(c2[nH+]c(C)cc(C)c2C(=O)[O-])CC1 ZINC000055083268 522136953 /nfs/dbraw/zinc/13/69/53/522136953.db2.gz XXNURTHLKGRMJS-CYBMUJFWSA-N 1 2 291.395 2.317 10 0 CEAELO C[NH2+][C@@H](c1occc1Br)c1cnccn1 ZINC000068982634 522374253 /nfs/dbraw/zinc/37/42/53/522374253.db2.gz NCSFZGSMVQKRLS-SECBINFHSA-N 1 2 268.114 2.141 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)n1ncc2ccccc21)C(=O)OC ZINC000068649706 522418724 /nfs/dbraw/zinc/41/87/24/522418724.db2.gz OYFJAXZIQZOTNM-ABAIWWIYSA-N 1 2 275.352 2.139 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)n1cc(C(F)(F)F)cn1)C(=O)OC ZINC000068650409 522522137 /nfs/dbraw/zinc/52/21/37/522522137.db2.gz JWFUAZAHGDGHJO-LDYMZIIASA-N 1 2 293.289 2.004 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)Sc1nc(C)cc(C)n1)C(=O)OC ZINC000068640594 522526019 /nfs/dbraw/zinc/52/60/19/522526019.db2.gz AWXQPIPDDRRBRR-SMDDNHRTSA-N 1 2 297.424 2.115 10 0 CEAELO CNc1nc(-c2ccc(OC)c(O)c2)[nH+]c2c1CCC2 ZINC000050867551 522675338 /nfs/dbraw/zinc/67/53/38/522675338.db2.gz GJHRSPQUFOVHNM-UHFFFAOYSA-N 1 2 271.320 2.388 10 0 CEAELO COCCCOCc1cc2ccc(OC)cc2[nH+]c1N ZINC000050830107 523405163 /nfs/dbraw/zinc/40/51/63/523405163.db2.gz NLFZXUSSLWCTPV-UHFFFAOYSA-N 1 2 276.336 2.379 10 0 CEAELO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nc(N)ccc1Cl ZINC000061638803 523507969 /nfs/dbraw/zinc/50/79/69/523507969.db2.gz IDELXNHXOSQTBQ-VHSXEESVSA-N 1 2 269.776 2.317 10 0 CEAELO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nc(N)ccc1Cl ZINC000061638803 523507980 /nfs/dbraw/zinc/50/79/80/523507980.db2.gz IDELXNHXOSQTBQ-VHSXEESVSA-N 1 2 269.776 2.317 10 0 CEAELO CCn1cc[nH+]c1N[C@@H](C(=O)OC)c1ccccc1 ZINC000050607854 523551264 /nfs/dbraw/zinc/55/12/64/523551264.db2.gz BZWUVOUOHBHTFB-GFCCVEGCSA-N 1 2 259.309 2.229 10 0 CEAELO COC(=O)[C@@H](CCOc1ccc(F)c(F)c1)[NH2+]C(C)C ZINC000062595095 523574348 /nfs/dbraw/zinc/57/43/48/523574348.db2.gz AQEDFQGYORLVMI-CYBMUJFWSA-N 1 2 287.306 2.273 10 0 CEAELO COC(=O)[C@@H](CCOc1cc(F)cc(F)c1)[NH2+]C(C)C ZINC000062596267 523575078 /nfs/dbraw/zinc/57/50/78/523575078.db2.gz SUEVLXXFECBCHZ-CYBMUJFWSA-N 1 2 287.306 2.273 10 0 CEAELO COC(=O)[C@@H](CCn1nc(C)c(Cl)c1C)[NH2+]C(C)C ZINC000062538283 523578741 /nfs/dbraw/zinc/57/87/41/523578741.db2.gz XCCCOXBHDSAYTO-LLVKDONJSA-N 1 2 287.791 2.083 10 0 CEAELO CCc1c(C)nn([C@H](C)C[C@@](C)([NH2+]C)C(=O)OC)c1C ZINC000068649202 523716325 /nfs/dbraw/zinc/71/63/25/523716325.db2.gz ITCSHQLZWXLRPL-MEBBXXQBSA-N 1 2 281.400 2.165 10 0 CEAELO COC(=O)[C@@](CSCC(C)C)([NH2+]C1CC1)C1CC1 ZINC000069184242 523823007 /nfs/dbraw/zinc/82/30/07/523823007.db2.gz UZGCTCARUROOFS-AWEZNQCLSA-N 1 2 271.426 2.449 10 0 CEAELO COC(=O)[C@H](CCN(C)c1ccccc1F)[NH2+]C(C)C ZINC000062529975 523898172 /nfs/dbraw/zinc/89/81/72/523898172.db2.gz OLWIXCLFQVQAQM-ZDUSSCGKSA-N 1 2 282.359 2.192 10 0 CEAELO COC(=O)[C@](C)(C[C@@H](C)Sc1ncccn1)[NH2+]C1CC1 ZINC000068638187 524000482 /nfs/dbraw/zinc/00/04/82/524000482.db2.gz VHBZZYRWBXUCPW-YGRLFVJLSA-N 1 2 295.408 2.031 10 0 CEAELO COC(=O)[C@](CSc1ccccn1)([NH2+]C(C)C)C1CC1 ZINC000069187208 524005788 /nfs/dbraw/zinc/00/57/88/524005788.db2.gz KBQXABQPSVWXQH-OAHLLOKOSA-N 1 2 294.420 2.494 10 0 CEAELO CNC(=O)CCCNc1ccc([NH+]2CCCC2)cc1 ZINC000068818253 524065047 /nfs/dbraw/zinc/06/50/47/524065047.db2.gz HRHJLBPGSVZREW-UHFFFAOYSA-N 1 2 261.369 2.225 10 0 CEAELO CNC(=O)CCC[NH2+]c1ccc(N2CCCC2)cc1 ZINC000068818253 524065049 /nfs/dbraw/zinc/06/50/49/524065049.db2.gz HRHJLBPGSVZREW-UHFFFAOYSA-N 1 2 261.369 2.225 10 0 CEAELO COc1ccc(CNc2cc[nH+]c(C(N)=S)c2)cc1 ZINC000061811997 524102840 /nfs/dbraw/zinc/10/28/40/524102840.db2.gz VRGJUPBSTZYSRV-UHFFFAOYSA-N 1 2 273.361 2.337 10 0 CEAELO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069132393 524131287 /nfs/dbraw/zinc/13/12/87/524131287.db2.gz BLOFPKYHZBRXJY-ISTRZQFTSA-N 1 2 294.439 2.482 10 0 CEAELO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069132393 524131294 /nfs/dbraw/zinc/13/12/94/524131294.db2.gz BLOFPKYHZBRXJY-ISTRZQFTSA-N 1 2 294.439 2.482 10 0 CEAELO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)nc(Cl)n1 ZINC000052814073 525083517 /nfs/dbraw/zinc/08/35/17/525083517.db2.gz UCQBJVZHNFOJOA-UHFFFAOYSA-N 1 2 289.770 2.160 10 0 CEAELO C[C@H](Nc1cc[nH+]c(C(N)=S)c1)c1ccncc1 ZINC000061812535 525673304 /nfs/dbraw/zinc/67/33/04/525673304.db2.gz CCJDCCGRYWJENP-VIFPVBQESA-N 1 2 258.350 2.284 10 0 CEAELO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](O)C3)no2)cc1 ZINC000054622391 525811596 /nfs/dbraw/zinc/81/15/96/525811596.db2.gz PPSLZSBRSYEKAH-ZDUSSCGKSA-N 1 2 273.336 2.002 10 0 CEAELO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](O)C3)no2)cc1 ZINC000054622391 525811603 /nfs/dbraw/zinc/81/16/03/525811603.db2.gz PPSLZSBRSYEKAH-ZDUSSCGKSA-N 1 2 273.336 2.002 10 0 CEAELO Cc1ccc(-c2nnco2)cc1NCc1c[nH+]c[nH]1 ZINC000054764560 525864562 /nfs/dbraw/zinc/86/45/62/525864562.db2.gz VLXLRPCDRATCJU-UHFFFAOYSA-N 1 2 255.281 2.380 10 0 CEAELO Cc1ccc(-c2nnco2)cc1NCc1c[nH]c[nH+]1 ZINC000054764560 525864568 /nfs/dbraw/zinc/86/45/68/525864568.db2.gz VLXLRPCDRATCJU-UHFFFAOYSA-N 1 2 255.281 2.380 10 0 CEAELO C[C@H](C1CC1)n1[nH]c(C(C)(C)C)c(CCC[NH3+])c1=O ZINC000069507079 526207331 /nfs/dbraw/zinc/20/73/31/526207331.db2.gz BSKJJKZSHUHSHZ-PWSUYJOCSA-N 1 2 265.401 2.384 10 0 CEAELO Cc1ccc(C(=O)[C@@H](C)[NH+]2CCC(O)CC2)cc1C ZINC000049537546 526239832 /nfs/dbraw/zinc/23/98/32/526239832.db2.gz VRZRJXWPDJXOHM-CYBMUJFWSA-N 1 2 261.365 2.331 10 0 CEAELO O[C@H]1CCC[N@H+](Cc2noc(-c3ccccc3Cl)n2)C1 ZINC000054622402 526305101 /nfs/dbraw/zinc/30/51/01/526305101.db2.gz TXYWKUBMJJLCNG-JTQLQIEISA-N 1 2 293.754 2.347 10 0 CEAELO O[C@H]1CCC[N@@H+](Cc2noc(-c3ccccc3Cl)n2)C1 ZINC000054622402 526305107 /nfs/dbraw/zinc/30/51/07/526305107.db2.gz TXYWKUBMJJLCNG-JTQLQIEISA-N 1 2 293.754 2.347 10 0 CEAELO c1ccc2sc(C[NH2+]Cc3ccncn3)nc2c1 ZINC000054788785 526521014 /nfs/dbraw/zinc/52/10/14/526521014.db2.gz NDDXGLFDMSRNDJ-UHFFFAOYSA-N 1 2 256.334 2.376 10 0 CEAELO Cc1nc(CN(C)c2cc[nH+]c(C(N)=S)c2)cs1 ZINC000061813192 526846737 /nfs/dbraw/zinc/84/67/37/526846737.db2.gz WCBYCZPXKNYSDA-UHFFFAOYSA-N 1 2 278.406 2.117 10 0 CEAELO NC(=S)c1cc(-n2cnc3ccccc32)cc[nH+]1 ZINC000061813375 527114592 /nfs/dbraw/zinc/11/45/92/527114592.db2.gz YGBWDVUBZSXUTQ-UHFFFAOYSA-N 1 2 254.318 2.055 10 0 CEAELO NNc1[nH+]c(C(=O)Nc2cccnc2)cc2ccccc21 ZINC000051095943 527285978 /nfs/dbraw/zinc/28/59/78/527285978.db2.gz BKSPRQQUXWCLPX-UHFFFAOYSA-N 1 2 279.303 2.168 10 0 CEAELO Nc1ccc(CN2C(=O)CCc3cc(F)ccc32)c[nH+]1 ZINC000050829520 527481224 /nfs/dbraw/zinc/48/12/24/527481224.db2.gz XGADWKSOLXRSLX-UHFFFAOYSA-N 1 2 271.295 2.282 10 0 CEAELO Nc1nc(N2CCCC2)[nH+]cc1-c1ccc(F)cc1 ZINC000061675332 527555056 /nfs/dbraw/zinc/55/50/56/527555056.db2.gz MNGKJNHUVRMHEZ-UHFFFAOYSA-N 1 2 258.300 2.465 10 0 CEAELO Nc1snnc1Cn1cc[nH+]c1-c1ccccc1 ZINC000050829805 527582737 /nfs/dbraw/zinc/58/27/37/527582737.db2.gz JUUUCVQAOXVRKA-UHFFFAOYSA-N 1 2 257.322 2.032 10 0 CEAELO CO[C@@H]1C[C@H](c2ncc[nH]2)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000888077607 624704627 /nfs/dbraw/zinc/70/46/27/624704627.db2.gz LCQCKASNEMUKML-CHWSQXEVSA-N 1 2 299.378 2.352 10 0 CEAELO Cc1ccc(O)cc1C(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000907568416 637054894 /nfs/dbraw/zinc/05/48/94/637054894.db2.gz ICDXZRGTXLNQNP-ZDUSSCGKSA-N 1 2 299.374 2.232 10 0 CEAELO Cc1ccc2oc(=O)n(C[N@@H+]3CCS[C@@H](C)C3)c2c1 ZINC000171605027 639724156 /nfs/dbraw/zinc/72/41/56/639724156.db2.gz NUOFIYMFSGEZBB-NSHDSACASA-N 1 2 278.377 2.298 10 0 CEAELO Cc1ccc2oc(=O)n(C[N@H+]3CCS[C@@H](C)C3)c2c1 ZINC000171605027 639724157 /nfs/dbraw/zinc/72/41/57/639724157.db2.gz NUOFIYMFSGEZBB-NSHDSACASA-N 1 2 278.377 2.298 10 0 CEAELO C[C@H]1C[N@H+](CN2C(=O)C[C@H]2c2ccccc2)CCS1 ZINC000171605551 639724241 /nfs/dbraw/zinc/72/42/41/639724241.db2.gz JJCGLSBINBEECY-JSGCOSHPSA-N 1 2 276.405 2.355 10 0 CEAELO C[C@H]1C[N@@H+](CN2C(=O)C[C@H]2c2ccccc2)CCS1 ZINC000171605551 639724244 /nfs/dbraw/zinc/72/42/44/639724244.db2.gz JJCGLSBINBEECY-JSGCOSHPSA-N 1 2 276.405 2.355 10 0 CEAELO CCCNc1cc(NC[C@H](O)C(C)(C)C)nc[nH+]1 ZINC000324630049 640693765 /nfs/dbraw/zinc/69/37/65/640693765.db2.gz UJLKLHWCKHCKNV-JTQLQIEISA-N 1 2 252.362 2.117 10 0 CEAELO CCCNc1cc(NC[C@H](O)C(C)(C)C)[nH+]cn1 ZINC000324630049 640693770 /nfs/dbraw/zinc/69/37/70/640693770.db2.gz UJLKLHWCKHCKNV-JTQLQIEISA-N 1 2 252.362 2.117 10 0 CEAELO Fc1ccc(Br)c(C[NH2+]C2COC2)c1 ZINC000082488169 178056618 /nfs/dbraw/zinc/05/66/18/178056618.db2.gz RDHGVHPFRPQBAU-UHFFFAOYSA-N 1 2 260.106 2.077 10 0 CEAELO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cc(F)cnc1Cl ZINC000095929178 185031850 /nfs/dbraw/zinc/03/18/50/185031850.db2.gz RYPVDZZPQGTMGW-VIFPVBQESA-N 1 2 274.723 2.086 10 0 CEAELO CCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)CCCC ZINC000034400067 361789242 /nfs/dbraw/zinc/78/92/42/361789242.db2.gz AUTBDHJBZFKCOO-ZDUSSCGKSA-N 1 2 279.384 2.387 10 0 CEAELO CCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)CCCC ZINC000034400067 361789248 /nfs/dbraw/zinc/78/92/48/361789248.db2.gz AUTBDHJBZFKCOO-ZDUSSCGKSA-N 1 2 279.384 2.387 10 0 CEAELO Cc1[nH+]c2ccccn2c1CCC(=O)NC(C)(C)C ZINC000096771770 185112120 /nfs/dbraw/zinc/11/21/20/185112120.db2.gz LYKPMQXBWDELDU-UHFFFAOYSA-N 1 2 259.353 2.490 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)c1ccc(OC)cc1 ZINC000177292640 529582226 /nfs/dbraw/zinc/58/22/26/529582226.db2.gz GZGOBHDRGUPBCZ-SFHVURJKSA-N 1 2 264.350 2.219 10 0 CEAELO CCc1nnc([C@H]2C[N@H+](Cc3ccsc3)CCO2)[nH]1 ZINC000129098839 529701736 /nfs/dbraw/zinc/70/17/36/529701736.db2.gz SHOSSNIECATNMR-LLVKDONJSA-N 1 2 278.381 2.002 10 0 CEAELO CCc1nnc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)[nH]1 ZINC000129098839 529701740 /nfs/dbraw/zinc/70/17/40/529701740.db2.gz SHOSSNIECATNMR-LLVKDONJSA-N 1 2 278.381 2.002 10 0 CEAELO COC(=O)c1cc(C[NH2+]Cc2ccccn2)oc1C ZINC000034981204 343421399 /nfs/dbraw/zinc/42/13/99/343421399.db2.gz GPJYCLMXSHQCPA-UHFFFAOYSA-N 1 2 260.293 2.059 10 0 CEAELO Fc1cnc(-c2c[nH]c3nc[nH+]cc23)nc1N1CCCC1 ZINC000035281218 343421962 /nfs/dbraw/zinc/42/19/62/343421962.db2.gz SVSWHTOHXHVUMG-UHFFFAOYSA-N 1 2 284.298 2.154 10 0 CEAELO c1cc(CNc2cc(N3CCCCC3)nc[nH+]2)ccn1 ZINC000130638868 136388426 /nfs/dbraw/zinc/38/84/26/136388426.db2.gz IWYACMFIEIRULE-UHFFFAOYSA-N 1 2 269.352 2.474 10 0 CEAELO c1cc(CNc2cc(N3CCCCC3)[nH+]cn2)ccn1 ZINC000130638868 136388427 /nfs/dbraw/zinc/38/84/27/136388427.db2.gz IWYACMFIEIRULE-UHFFFAOYSA-N 1 2 269.352 2.474 10 0 CEAELO CC(C)[N@H+](CC(F)F)C[C@H](O)COC(C)(C)C ZINC000128085880 365774643 /nfs/dbraw/zinc/77/46/43/365774643.db2.gz MBEFUZJEQFCKAT-JTQLQIEISA-N 1 2 253.333 2.138 10 0 CEAELO CC(C)[N@@H+](CC(F)F)C[C@H](O)COC(C)(C)C ZINC000128085880 365774646 /nfs/dbraw/zinc/77/46/46/365774646.db2.gz MBEFUZJEQFCKAT-JTQLQIEISA-N 1 2 253.333 2.138 10 0 CEAELO Brc1c[nH]c2nc[nH+]c(N3CCCC3)c12 ZINC000084643329 344087788 /nfs/dbraw/zinc/08/77/88/344087788.db2.gz FQKHZJYNBXCOTL-UHFFFAOYSA-N 1 2 267.130 2.321 10 0 CEAELO [NH3+][C@@H](c1csnn1)c1sccc1Br ZINC000164678508 344472794 /nfs/dbraw/zinc/47/27/94/344472794.db2.gz HCOZFQDJAQYNSC-LURJTMIESA-N 1 2 276.184 2.410 10 0 CEAELO CCOC(=O)[C@@H](C)Oc1ccc(Cn2cc[nH+]c2)cc1 ZINC000196528198 344524433 /nfs/dbraw/zinc/52/44/33/344524433.db2.gz FNJNFWNOMQXXDS-GFCCVEGCSA-N 1 2 274.320 2.262 10 0 CEAELO Cc1nc([C@@H]([NH3+])c2sccc2Br)no1 ZINC000228012266 344558158 /nfs/dbraw/zinc/55/81/58/344558158.db2.gz KDXGAEKTEIJPKA-LURJTMIESA-N 1 2 274.143 2.250 10 0 CEAELO O[C@@H](C[NH+]1CCC1)c1cscc1Br ZINC000307402645 344722347 /nfs/dbraw/zinc/72/23/47/344722347.db2.gz DRHFJPVPQIYBPI-VIFPVBQESA-N 1 2 262.172 2.250 10 0 CEAELO Cc1nc(N[C@H]2CCO[C@H]2C)c(Br)c(C)[nH+]1 ZINC000322794957 539406466 /nfs/dbraw/zinc/40/64/66/539406466.db2.gz MYLPIMIOCXCECH-CBAPKCEASA-N 1 2 286.173 2.445 10 0 CEAELO O=C(c1ccc2[nH+]ccn2c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000057782680 362595996 /nfs/dbraw/zinc/59/59/96/362595996.db2.gz IBJYEVKDTQZDHT-KGLIPLIRSA-N 1 2 285.347 2.118 10 0 CEAELO C[C@H]1C[NH+](CC(=O)N2CCCc3ccccc32)C[C@H](C)O1 ZINC000058873884 362641926 /nfs/dbraw/zinc/64/19/26/362641926.db2.gz ZJZJRXRQVXAZSK-KBPBESRZSA-N 1 2 288.391 2.075 10 0 CEAELO C[C@@H]1C[S@@](=O)C[C@H](c2ccc(F)c(Cl)c2)[NH2+]1 ZINC000085311671 179013108 /nfs/dbraw/zinc/01/31/08/179013108.db2.gz FKKIUBHOHFCZQC-ISOUQZKMSA-N 1 2 261.749 2.261 10 0 CEAELO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cncc(Br)c1 ZINC000295139505 199367566 /nfs/dbraw/zinc/36/75/66/199367566.db2.gz ZOEJFJZHPWULTI-CABZTGNLSA-N 1 2 285.185 2.189 10 0 CEAELO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1cncc(Br)c1 ZINC000295139505 199367568 /nfs/dbraw/zinc/36/75/68/199367568.db2.gz ZOEJFJZHPWULTI-CABZTGNLSA-N 1 2 285.185 2.189 10 0 CEAELO CCO[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)OC)C1(C)C ZINC000085382299 179045760 /nfs/dbraw/zinc/04/57/60/179045760.db2.gz ZCSQVENPKCZDFP-XQQFMLRXSA-N 1 2 271.401 2.367 10 0 CEAELO CC[C@H](C)c1nc(N)c(I)c(C)[nH+]1 ZINC000085459612 179068743 /nfs/dbraw/zinc/06/87/43/179068743.db2.gz UWDCMPUWGHINHR-YFKPBYRVSA-N 1 2 291.136 2.485 10 0 CEAELO Cc1c(C[NH+]2CCSCC2)nnn1-c1ccc(F)cc1 ZINC000064543136 362788239 /nfs/dbraw/zinc/78/82/39/362788239.db2.gz SMIOMIOGBQZYRZ-UHFFFAOYSA-N 1 2 292.383 2.264 10 0 CEAELO C[C@@H](O)c1[nH+]c2cc(N)ccc2n1C[C@H]1CCCC[C@@H]1O ZINC000086017957 179217340 /nfs/dbraw/zinc/21/73/40/179217340.db2.gz POAIBPHHUXYAKG-HFAKWTLXSA-N 1 2 289.379 2.223 10 0 CEAELO CC[NH2+][C@@](C)(CSc1nc(C)c(C)c(C)n1)C(=O)OC ZINC000086644990 179316651 /nfs/dbraw/zinc/31/66/51/179316651.db2.gz IKQKDKKCRHWCQU-AWEZNQCLSA-N 1 2 297.424 2.035 10 0 CEAELO COC(=O)[C@@H]1CCCC[N@@H+]1CCOc1cccc(OC)c1 ZINC000130347122 365947420 /nfs/dbraw/zinc/94/74/20/365947420.db2.gz WSRPBLUXRWWGIJ-HNNXBMFYSA-N 1 2 293.363 2.102 10 0 CEAELO COC(=O)[C@@H]1CCCC[N@H+]1CCOc1cccc(OC)c1 ZINC000130347122 365947424 /nfs/dbraw/zinc/94/74/24/365947424.db2.gz WSRPBLUXRWWGIJ-HNNXBMFYSA-N 1 2 293.363 2.102 10 0 CEAELO COC(=O)[C@]1([NH2+]C[C@@H]2CCCO2)CCC[C@H](C)CC1 ZINC000086891842 179366386 /nfs/dbraw/zinc/36/63/86/179366386.db2.gz WKKJDVMWUNTFHJ-YDHLFZDLSA-N 1 2 269.385 2.267 10 0 CEAELO COc1ccc([C@@H]([NH3+])c2noc(C3CC3)n2)cc1F ZINC000086993988 179376103 /nfs/dbraw/zinc/37/61/03/179376103.db2.gz PMQATUWFRWJOJP-LLVKDONJSA-N 1 2 263.272 2.143 10 0 CEAELO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)OCC(F)(F)F ZINC000087303698 179410915 /nfs/dbraw/zinc/41/09/15/179410915.db2.gz GIQHPBJQWDZMDT-UHFFFAOYSA-N 1 2 286.213 2.378 10 0 CEAELO CCOC(=O)N1CCCC[C@H](c2cccc(N)[nH+]2)C1 ZINC000616630246 348540606 /nfs/dbraw/zinc/54/06/06/348540606.db2.gz TYRJVQRRKCYDHG-NSHDSACASA-N 1 2 263.341 2.390 10 0 CEAELO CCOC(=O)c1cccc([C@H]2COCC[N@@H+]2CC)c1 ZINC000616638456 348542726 /nfs/dbraw/zinc/54/27/26/348542726.db2.gz UAQHINDPWIKHRH-CQSZACIVSA-N 1 2 263.337 2.257 10 0 CEAELO CCOC(=O)c1cccc([C@H]2COCC[N@H+]2CC)c1 ZINC000616638456 348542730 /nfs/dbraw/zinc/54/27/30/348542730.db2.gz UAQHINDPWIKHRH-CQSZACIVSA-N 1 2 263.337 2.257 10 0 CEAELO c1ccc(C[N@@H+]2CCCOC[C@H]2c2ncccn2)cc1 ZINC000616648795 348546683 /nfs/dbraw/zinc/54/66/83/348546683.db2.gz XZPHPIBXYMBXDI-HNNXBMFYSA-N 1 2 269.348 2.440 10 0 CEAELO c1ccc(C[N@H+]2CCCOC[C@H]2c2ncccn2)cc1 ZINC000616648795 348546686 /nfs/dbraw/zinc/54/66/86/348546686.db2.gz XZPHPIBXYMBXDI-HNNXBMFYSA-N 1 2 269.348 2.440 10 0 CEAELO [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616583634 348526294 /nfs/dbraw/zinc/52/62/94/348526294.db2.gz FXWQQFBIFLUTGF-KRWDZBQOSA-N 1 2 296.370 2.291 10 0 CEAELO [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616583634 348526297 /nfs/dbraw/zinc/52/62/97/348526297.db2.gz FXWQQFBIFLUTGF-KRWDZBQOSA-N 1 2 296.370 2.291 10 0 CEAELO [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616624652 348538628 /nfs/dbraw/zinc/53/86/28/348538628.db2.gz FNPCRFDBTRPGBT-AWEZNQCLSA-N 1 2 262.353 2.261 10 0 CEAELO [NH3+]CC[N@H+]1CCCCC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616624652 348538630 /nfs/dbraw/zinc/53/86/30/348538630.db2.gz FNPCRFDBTRPGBT-AWEZNQCLSA-N 1 2 262.353 2.261 10 0 CEAELO NC(=O)N1c2ccccc2CC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616668095 348555061 /nfs/dbraw/zinc/55/50/61/348555061.db2.gz GXUCYJYCJWUYAA-CYBMUJFWSA-N 1 2 268.320 2.067 10 0 CEAELO COC(=O)N1CC[C@@H](n2cc[nH+]c2)c2ccccc21 ZINC000616674883 348556812 /nfs/dbraw/zinc/55/68/12/348556812.db2.gz JPAJGFFXLRPLCR-GFCCVEGCSA-N 1 2 257.293 2.449 10 0 CEAELO N[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2ccccc2o1 ZINC000090906003 180060972 /nfs/dbraw/zinc/06/09/72/180060972.db2.gz UZKYXMMXYAWDNU-MJBXVCDLSA-N 1 2 272.348 2.296 10 0 CEAELO N[C@@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2ccccc2o1 ZINC000090906003 180060974 /nfs/dbraw/zinc/06/09/74/180060974.db2.gz UZKYXMMXYAWDNU-MJBXVCDLSA-N 1 2 272.348 2.296 10 0 CEAELO CCOC(=O)c1[nH+]c(C)n(C[C@H]2Cc3ccccc32)c1N ZINC000090993235 180082215 /nfs/dbraw/zinc/08/22/15/180082215.db2.gz UQABNWPJQNNROG-GFCCVEGCSA-N 1 2 285.347 2.290 10 0 CEAELO CCCn1cccc1C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000091023351 180088984 /nfs/dbraw/zinc/08/89/84/180088984.db2.gz PFANYACBEOPTHU-CYBMUJFWSA-N 1 2 252.358 2.185 10 0 CEAELO CCOC(=O)[C@](C)(CCS[C@@H](C)CCO)[NH2+]C(C)C ZINC000091267406 180117226 /nfs/dbraw/zinc/11/72/26/180117226.db2.gz KEZKKPJFUHGHBZ-JSGCOSHPSA-N 1 2 291.457 2.200 10 0 CEAELO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000091501590 180175167 /nfs/dbraw/zinc/17/51/67/180175167.db2.gz QNISELIQURFTBX-LLVKDONJSA-N 1 2 275.396 2.278 10 0 CEAELO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1Cc2ccc(N)cc2C1 ZINC000091501590 180175169 /nfs/dbraw/zinc/17/51/69/180175169.db2.gz QNISELIQURFTBX-LLVKDONJSA-N 1 2 275.396 2.278 10 0 CEAELO Cc1nc([C@H]2CCOc3ccccc32)[nH+]c(NN)c1F ZINC000091501339 180174784 /nfs/dbraw/zinc/17/47/84/180174784.db2.gz UGBKWZWMZHTVDE-JTQLQIEISA-N 1 2 274.299 2.124 10 0 CEAELO CC[C@](C)([C@@H](O)c1cc(F)ccc1F)[NH+]1CCOCC1 ZINC000091611268 180206317 /nfs/dbraw/zinc/20/63/17/180206317.db2.gz OXYNFLRRYUFFAU-LSDHHAIUSA-N 1 2 285.334 2.499 10 0 CEAELO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000091501774 180175483 /nfs/dbraw/zinc/17/54/83/180175483.db2.gz DDXKYTYPHJNBBN-GFCCVEGCSA-N 1 2 287.407 2.422 10 0 CEAELO C[C@H](C(=O)NC1CCCCC1)[N@H+]1Cc2ccc(N)cc2C1 ZINC000091501774 180175485 /nfs/dbraw/zinc/17/54/85/180175485.db2.gz DDXKYTYPHJNBBN-GFCCVEGCSA-N 1 2 287.407 2.422 10 0 CEAELO C[NH2+][C@H](C)c1cccn1Cc1nc(=O)c2sccc2[nH]1 ZINC000091800632 180259421 /nfs/dbraw/zinc/25/94/21/180259421.db2.gz GHNUGYOKLHFPJJ-SECBINFHSA-N 1 2 288.376 2.115 10 0 CEAELO CCNc1cc(C(C)C)nc([C@H]2C[N@H+](C)CCO2)n1 ZINC000091722792 180242380 /nfs/dbraw/zinc/24/23/80/180242380.db2.gz ZEGDGLALTZMDAL-GFCCVEGCSA-N 1 2 264.373 2.035 10 0 CEAELO CCNc1cc(C(C)C)nc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000091722792 180242382 /nfs/dbraw/zinc/24/23/82/180242382.db2.gz ZEGDGLALTZMDAL-GFCCVEGCSA-N 1 2 264.373 2.035 10 0 CEAELO CC(C)(C)Nc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ns1 ZINC000091747990 180245120 /nfs/dbraw/zinc/24/51/20/180245120.db2.gz DJQMIFLIKDDFID-ZJUUUORDSA-N 1 2 282.413 2.284 10 0 CEAELO CC(C)(C)Nc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)ns1 ZINC000091747990 180245124 /nfs/dbraw/zinc/24/51/24/180245124.db2.gz DJQMIFLIKDDFID-ZJUUUORDSA-N 1 2 282.413 2.284 10 0 CEAELO COc1c(C)c[nH+]c(COc2ccc(C)nc2CO)c1C ZINC000091998838 180303936 /nfs/dbraw/zinc/30/39/36/180303936.db2.gz ZHOJQVWECATQDF-UHFFFAOYSA-N 1 2 288.347 2.482 10 0 CEAELO CCOC(=O)[C@@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275148 180356330 /nfs/dbraw/zinc/35/63/30/180356330.db2.gz ZNAGJKRGNYJHRS-MNOVXSKESA-N 1 2 265.378 2.417 10 0 CEAELO C[C@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)c1nc2ccccc2s1 ZINC000105959786 186095258 /nfs/dbraw/zinc/09/52/58/186095258.db2.gz ZVWUYEWKDLNWHZ-VHSXEESVSA-N 1 2 294.401 2.258 10 0 CEAELO Cc1noc(C)c1C[NH2+][C@H]1COc2cc(O)ccc21 ZINC000092329018 180363759 /nfs/dbraw/zinc/36/37/59/180363759.db2.gz AZVNXGZRIZGODX-ZDUSSCGKSA-N 1 2 260.293 2.220 10 0 CEAELO CCCCOC(=O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106387227 186112691 /nfs/dbraw/zinc/11/26/91/186112691.db2.gz ZSCFRAIODCMSLG-UHFFFAOYSA-N 1 2 293.411 2.245 10 0 CEAELO NNc1cc[nH+]c(Cn2cc(-c3ccccc3)cn2)c1 ZINC000092425483 180383543 /nfs/dbraw/zinc/38/35/43/180383543.db2.gz HIEOMDRTTCEJJB-UHFFFAOYSA-N 1 2 265.320 2.279 10 0 CEAELO Cc1cccc(-c2nc3c(c(NN)[nH+]2)CCCCC3)n1 ZINC000110482150 186299528 /nfs/dbraw/zinc/29/95/28/186299528.db2.gz NOMPIUFCVHDCHF-UHFFFAOYSA-N 1 2 269.352 2.402 10 0 CEAELO CCOC(=O)[C@](C)(CCSc1cnccn1)[NH2+]C1CC1 ZINC000110914949 186331971 /nfs/dbraw/zinc/33/19/71/186331971.db2.gz MNHBXUWOKUOSJU-AWEZNQCLSA-N 1 2 295.408 2.033 10 0 CEAELO COc1cc(N(C)C[C@@H]2CCCCO2)ccc1[NH3+] ZINC000111051513 186347973 /nfs/dbraw/zinc/34/79/73/186347973.db2.gz MOASTZUOEKFFIG-LBPRGKRZSA-N 1 2 250.342 2.283 10 0 CEAELO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000130892515 366001654 /nfs/dbraw/zinc/00/16/54/366001654.db2.gz IOYQPNPBGOINLN-ZIAGYGMSSA-N 1 2 261.369 2.216 10 0 CEAELO CCOCC[N@H+](CC)CC(=O)c1ccc(OC)c(F)c1 ZINC000111120413 186355736 /nfs/dbraw/zinc/35/57/36/186355736.db2.gz HBPUQULGOIPMOI-UHFFFAOYSA-N 1 2 283.343 2.375 10 0 CEAELO CCOCC[N@@H+](CC)CC(=O)c1ccc(OC)c(F)c1 ZINC000111120413 186355738 /nfs/dbraw/zinc/35/57/38/186355738.db2.gz HBPUQULGOIPMOI-UHFFFAOYSA-N 1 2 283.343 2.375 10 0 CEAELO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000130892922 366002251 /nfs/dbraw/zinc/00/22/51/366002251.db2.gz IOYQPNPBGOINLN-UONOGXRCSA-N 1 2 261.369 2.216 10 0 CEAELO CC[N@@H+]1CCO[C@@H](CN[C@H](C)c2nc(C)sc2C)C1 ZINC000252744318 539897594 /nfs/dbraw/zinc/89/75/94/539897594.db2.gz RMLQGQXQRSKZON-MFKMUULPSA-N 1 2 283.441 2.131 10 0 CEAELO CC[N@H+]1CCO[C@@H](CN[C@H](C)c2nc(C)sc2C)C1 ZINC000252744318 539897596 /nfs/dbraw/zinc/89/75/96/539897596.db2.gz RMLQGQXQRSKZON-MFKMUULPSA-N 1 2 283.441 2.131 10 0 CEAELO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000157357972 188311655 /nfs/dbraw/zinc/31/16/55/188311655.db2.gz OUJAFXHLRPOLSV-CZUORRHYSA-N 1 2 286.375 2.207 10 0 CEAELO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000157357972 188311656 /nfs/dbraw/zinc/31/16/56/188311656.db2.gz OUJAFXHLRPOLSV-CZUORRHYSA-N 1 2 286.375 2.207 10 0 CEAELO C[C@H](C[N@@H+]1CC[S@@](=O)CC1(C)C)C(F)(F)F ZINC000336437611 213300802 /nfs/dbraw/zinc/30/08/02/213300802.db2.gz GJXBHVCPXXIZBA-VPTHRUTESA-N 1 2 257.321 2.028 10 0 CEAELO C[C@H](C[N@H+]1CC[S@@](=O)CC1(C)C)C(F)(F)F ZINC000336437611 213300805 /nfs/dbraw/zinc/30/08/05/213300805.db2.gz GJXBHVCPXXIZBA-VPTHRUTESA-N 1 2 257.321 2.028 10 0 CEAELO CC[C@@H](CC1CCCC1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000074692490 363371419 /nfs/dbraw/zinc/37/14/19/363371419.db2.gz KVLDFKDYCHLGAL-ZBFHGGJFSA-N 1 2 296.455 2.430 10 0 CEAELO C[C@H]1C[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000076077315 363517902 /nfs/dbraw/zinc/51/79/02/363517902.db2.gz MMOQKKYJXSOREL-GXFFZTMASA-N 1 2 288.326 2.219 10 0 CEAELO O=C(C[C@@H]1CCC[N@@H+]1[C@@H]1CCOC1=O)c1ccc(F)cc1 ZINC000134848608 366364538 /nfs/dbraw/zinc/36/45/38/366364538.db2.gz HNSXWVISBDQMKM-UONOGXRCSA-N 1 2 291.322 2.178 10 0 CEAELO O=C(C[C@@H]1CCC[N@H+]1[C@@H]1CCOC1=O)c1ccc(F)cc1 ZINC000134848608 366364545 /nfs/dbraw/zinc/36/45/45/366364545.db2.gz HNSXWVISBDQMKM-UONOGXRCSA-N 1 2 291.322 2.178 10 0 CEAELO C[C@@H](CNC(=O)CCCC1CCCC1)[NH+]1CCOCC1 ZINC000079506384 363610429 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130240916 /nfs/dbraw/zinc/24/09/16/130240916.db2.gz MZDKYDTXGWUQOV-LBPRGKRZSA-N 1 2 290.392 2.002 10 0 CEAELO Cc1csc([C@@H]2C[N@@H+](Cc3ccnc(N)c3)CCO2)n1 ZINC000191468180 130240920 /nfs/dbraw/zinc/24/09/20/130240920.db2.gz MZDKYDTXGWUQOV-LBPRGKRZSA-N 1 2 290.392 2.002 10 0 CEAELO CNc1nc(N2CCSC[C@H]2C)c(Cl)c[nH+]1 ZINC000087830885 135051225 /nfs/dbraw/zinc/05/12/25/135051225.db2.gz NFGPWPCRYWMPHZ-SSDOTTSWSA-N 1 2 258.778 2.113 10 0 CEAELO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1noc(C[NH3+])n1 ZINC000261743677 394606771 /nfs/dbraw/zinc/60/67/71/394606771.db2.gz MVLDCBSHAYLNMD-CMPLNLGQSA-N 1 2 290.342 2.045 10 0 CEAELO Cc1cc(N[C@H]2CCN(C)C2=O)c2cccc(F)c2[nH+]1 ZINC000126937307 394849759 /nfs/dbraw/zinc/84/97/59/394849759.db2.gz KOEKEEQQDDSLEI-LBPRGKRZSA-N 1 2 273.311 2.325 10 0 CEAELO COc1ccc(Cl)cc1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189086026 153082982 /nfs/dbraw/zinc/08/29/82/153082982.db2.gz PFJYWEIICQJMNL-SNVBAGLBSA-N 1 2 282.771 2.059 10 0 CEAELO COc1ccc(Cl)cc1C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189086026 153082986 /nfs/dbraw/zinc/08/29/86/153082986.db2.gz PFJYWEIICQJMNL-SNVBAGLBSA-N 1 2 282.771 2.059 10 0 CEAELO CCc1cccc(C[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000189449702 153094168 /nfs/dbraw/zinc/09/41/68/153094168.db2.gz COVXVDROMQXFOC-OAHLLOKOSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1cccc(C[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000189449702 153094173 /nfs/dbraw/zinc/09/41/73/153094173.db2.gz COVXVDROMQXFOC-OAHLLOKOSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1cccc(C[N@@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000189449702 153094177 /nfs/dbraw/zinc/09/41/77/153094177.db2.gz COVXVDROMQXFOC-OAHLLOKOSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1cccc(C[N@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000189449702 153094181 /nfs/dbraw/zinc/09/41/81/153094181.db2.gz COVXVDROMQXFOC-OAHLLOKOSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1nnc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)n1C ZINC000195042920 153270844 /nfs/dbraw/zinc/27/08/44/153270844.db2.gz HKLOHKVYKRTGOQ-UHFFFAOYSA-N 1 2 298.390 2.372 10 0 CEAELO CCc1nnc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)n1C ZINC000195042920 153270846 /nfs/dbraw/zinc/27/08/46/153270846.db2.gz HKLOHKVYKRTGOQ-UHFFFAOYSA-N 1 2 298.390 2.372 10 0 CEAELO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CCO)C2)c(Cl)c1 ZINC000227568228 153346702 /nfs/dbraw/zinc/34/67/02/153346702.db2.gz NWLXPEQPILXOFY-LBPRGKRZSA-N 1 2 296.798 2.291 10 0 CEAELO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CCO)C2)c(Cl)c1 ZINC000227568228 153346706 /nfs/dbraw/zinc/34/67/06/153346706.db2.gz NWLXPEQPILXOFY-LBPRGKRZSA-N 1 2 296.798 2.291 10 0 CEAELO CCOc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1F ZINC000263031683 154008889 /nfs/dbraw/zinc/00/88/89/154008889.db2.gz RYSZSVDJGVAZHR-SNVBAGLBSA-N 1 2 288.269 2.160 10 0 CEAELO O=C(NC1CC(c2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263183042 154032340 /nfs/dbraw/zinc/03/23/40/154032340.db2.gz GXSHHTBWZUSONY-BPCQOVAHSA-N 1 2 280.318 2.046 10 0 CEAELO Cc1nnc([C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)CCO2)[nH]1 ZINC000173677675 165076435 /nfs/dbraw/zinc/07/64/35/165076435.db2.gz WILXQTKULXFXME-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nnc([C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)CCO2)[nH]1 ZINC000173677675 165076438 /nfs/dbraw/zinc/07/64/38/165076438.db2.gz WILXQTKULXFXME-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)CCO2)n[nH]1 ZINC000173677675 165076443 /nfs/dbraw/zinc/07/64/43/165076443.db2.gz WILXQTKULXFXME-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)CCO2)n[nH]1 ZINC000173677675 165076447 /nfs/dbraw/zinc/07/64/47/165076447.db2.gz WILXQTKULXFXME-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO O=C(CCCC1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000174013459 165092094 /nfs/dbraw/zinc/09/20/94/165092094.db2.gz YQIYVOIAVWCCSS-INIZCTEOSA-N 1 2 294.439 2.280 10 0 CEAELO Cn1c(C[N@H+](C)CCc2nccs2)nnc1C1CCC1 ZINC000181516936 165347472 /nfs/dbraw/zinc/34/74/72/165347472.db2.gz OJVIXZQSHCHRTH-UHFFFAOYSA-N 1 2 291.424 2.214 10 0 CEAELO Cn1c(C[N@@H+](C)CCc2nccs2)nnc1C1CCC1 ZINC000181516936 165347475 /nfs/dbraw/zinc/34/74/75/165347475.db2.gz OJVIXZQSHCHRTH-UHFFFAOYSA-N 1 2 291.424 2.214 10 0 CEAELO CCOC(=O)C(=C1SCCCS1)n1cc[nH+]c1 ZINC000005884026 170150118 /nfs/dbraw/zinc/15/01/18/170150118.db2.gz PRHDDUQOQYTKEV-UHFFFAOYSA-N 1 2 270.379 2.442 10 0 CEAELO C[C@H](Nc1[nH+]cccc1C(N)=S)c1cccnc1 ZINC000035692346 172361414 /nfs/dbraw/zinc/36/14/14/172361414.db2.gz QPXJYGJATVXEJH-VIFPVBQESA-N 1 2 258.350 2.284 10 0 CEAELO COC(=O)C[C@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000035747743 172395733 /nfs/dbraw/zinc/39/57/33/172395733.db2.gz YYQSKAKNGZSGLD-VIFPVBQESA-N 1 2 253.298 2.067 10 0 CEAELO CCCS(=O)(=O)c1ccccc1N[C@H]1CCC[N@H+](C)C1 ZINC000040673384 174372504 /nfs/dbraw/zinc/37/25/04/174372504.db2.gz FUNJRKVNKAXSGN-ZDUSSCGKSA-N 1 2 296.436 2.376 10 0 CEAELO CCCS(=O)(=O)c1ccccc1N[C@H]1CCC[N@@H+](C)C1 ZINC000040673384 174372505 /nfs/dbraw/zinc/37/25/05/174372505.db2.gz FUNJRKVNKAXSGN-ZDUSSCGKSA-N 1 2 296.436 2.376 10 0 CEAELO CN(C)c1[nH+]cnc(Nc2cc(F)ccc2F)c1N ZINC000040723616 174385846 /nfs/dbraw/zinc/38/58/46/174385846.db2.gz UDWBCROYNDCTAD-UHFFFAOYSA-N 1 2 265.267 2.147 10 0 CEAELO COCCN(c1ccc([NH3+])cc1C)[C@H](C)COC ZINC000042602611 174817649 /nfs/dbraw/zinc/81/76/49/174817649.db2.gz YYFAZFOCFYHZPG-GFCCVEGCSA-N 1 2 252.358 2.065 10 0 CEAELO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)c2nncn2C)c1C ZINC000045170566 175320350 /nfs/dbraw/zinc/32/03/50/175320350.db2.gz VRNZKCWANSKIJE-GXSJLCMTSA-N 1 2 276.388 2.060 10 0 CEAELO COC(=O)[C@](C)(CN(C)c1ccccc1)[NH2+]C(C)C ZINC000045227610 175333661 /nfs/dbraw/zinc/33/36/61/175333661.db2.gz IHKJDUYJMOQPQD-HNNXBMFYSA-N 1 2 264.369 2.053 10 0 CEAELO CC[NH2+][C@@](C)(CN(CC)c1cccc(C)c1)C(=O)OC ZINC000045273167 175344054 /nfs/dbraw/zinc/34/40/54/175344054.db2.gz SYACDJOWHBWTKK-INIZCTEOSA-N 1 2 278.396 2.363 10 0 CEAELO CCOC(=O)[C@@](C)(CN(CC)c1cccc(F)c1)[NH2+]C ZINC000045275392 175345534 /nfs/dbraw/zinc/34/55/34/175345534.db2.gz CDPNMLRYILUDEE-OAHLLOKOSA-N 1 2 282.359 2.193 10 0 CEAELO CCN(C[C@@H]([NH2+]C)C(=O)OC)c1cccc2ccccc21 ZINC000045369595 175363465 /nfs/dbraw/zinc/36/34/65/175363465.db2.gz HHBCYQNRYNOBOL-OAHLLOKOSA-N 1 2 286.375 2.427 10 0 CEAELO CC[C@H]1CCC[C@@]([NH2+]C[C@@H]2CCCO2)(C(=O)OC)C1 ZINC000071125707 176035811 /nfs/dbraw/zinc/03/58/11/176035811.db2.gz DHZOMPDFHBBUOK-YDHLFZDLSA-N 1 2 269.385 2.267 10 0 CEAELO CCOC(=O)c1[nH+]c(C)n([C@H]2CCC[C@@H]2C)c1N ZINC000071209294 176081832 /nfs/dbraw/zinc/08/18/32/176081832.db2.gz IOTSBFCSKVHYKO-WPRPVWTQSA-N 1 2 251.330 2.312 10 0 CEAELO COC(=O)[C@](C)([NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000071399812 176152042 /nfs/dbraw/zinc/15/20/42/176152042.db2.gz DUECSAQZOMFKNA-DZGCQCFKSA-N 1 2 269.385 2.267 10 0 CEAELO C[NH+](C)C1(Cc2cc(-c3ccc(F)cc3)on2)COC1 ZINC000072321916 176369171 /nfs/dbraw/zinc/36/91/71/176369171.db2.gz JZKATILBNMRNNE-UHFFFAOYSA-N 1 2 276.311 2.354 10 0 CEAELO C[C@H]1C[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H](C)C1 ZINC000662627207 415909524 /nfs/dbraw/zinc/90/95/24/415909524.db2.gz CCQDINXIQLAAOV-NOOOWODRSA-N 1 2 274.355 2.172 10 0 CEAELO Cc1ccccc1CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC000074919798 176634949 /nfs/dbraw/zinc/63/49/49/176634949.db2.gz SIZDUCQZUVXHNC-MRXNPFEDSA-N 1 2 283.375 2.309 10 0 CEAELO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000074902159 419412434 /nfs/dbraw/zinc/41/24/34/419412434.db2.gz OQLUNQPZQHGZOA-ZDUSSCGKSA-N 1 2 297.786 2.134 10 0 CEAELO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000074902159 419412445 /nfs/dbraw/zinc/41/24/45/419412445.db2.gz OQLUNQPZQHGZOA-ZDUSSCGKSA-N 1 2 297.786 2.134 10 0 CEAELO CC(C)CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000175449220 278722390 /nfs/dbraw/zinc/72/23/90/278722390.db2.gz LSADNSUULGMXEU-CABCVRRESA-N 1 2 296.455 2.238 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@](=O)CC[C@@H]1CCCO1 ZINC000188790404 280140211 /nfs/dbraw/zinc/14/02/11/280140211.db2.gz BFSSCDBKKSZRGP-KPZWWZAWSA-N 1 2 270.398 2.282 10 0 CEAELO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)o1 ZINC000189085399 280142780 /nfs/dbraw/zinc/14/27/80/280142780.db2.gz SYQFVEAVIGLMTO-NTZNESFSSA-N 1 2 262.353 2.113 10 0 CEAELO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)o1 ZINC000189085399 280142783 /nfs/dbraw/zinc/14/27/83/280142783.db2.gz SYQFVEAVIGLMTO-NTZNESFSSA-N 1 2 262.353 2.113 10 0 CEAELO Cc1cncc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)c1 ZINC000184383116 292972230 /nfs/dbraw/zinc/97/22/30/292972230.db2.gz KYJWXLPMUCZNAX-WCQYABFASA-N 1 2 257.341 2.167 10 0 CEAELO CC(C)C[C@@H](C)[N@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069140008 519772616 /nfs/dbraw/zinc/77/26/16/519772616.db2.gz ONLWTBOFAYSMJK-MLGOLLRUSA-N 1 2 282.428 2.338 10 0 CEAELO CC(C)C[C@@H](C)[N@@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069140008 519772617 /nfs/dbraw/zinc/77/26/17/519772617.db2.gz ONLWTBOFAYSMJK-MLGOLLRUSA-N 1 2 282.428 2.338 10 0 CEAELO CCC[NH2+][C@H](CCN(CC(F)(F)F)C(C)C)C(=O)OC ZINC000062454935 520071177 /nfs/dbraw/zinc/07/11/77/520071177.db2.gz IBZMLWVSRVWMPD-LLVKDONJSA-N 1 2 298.349 2.190 10 0 CEAELO CCCNc1snnc1C[N@H+](CC)[C@H](C)COC ZINC000050814963 520202211 /nfs/dbraw/zinc/20/22/11/520202211.db2.gz YRKMLAGKULISLO-SNVBAGLBSA-N 1 2 272.418 2.217 10 0 CEAELO CCCNc1snnc1C[N@@H+](CC)[C@H](C)COC ZINC000050814963 520202220 /nfs/dbraw/zinc/20/22/20/520202220.db2.gz YRKMLAGKULISLO-SNVBAGLBSA-N 1 2 272.418 2.217 10 0 CEAELO CC[NH2+][C@](C[NH+]1CCCCCCC1)(C(=O)[O-])C1CC1 ZINC000069090778 520246476 /nfs/dbraw/zinc/24/64/76/520246476.db2.gz RQCRHSXLZDAPHE-HNNXBMFYSA-N 1 2 268.401 2.095 10 0 CEAELO CC[NH+](CC)C[C@@H](C)Nc1[nH+]c(C)ccc1C(=O)[O-] ZINC000054531128 520722075 /nfs/dbraw/zinc/72/20/75/520722075.db2.gz KNMOTVJNTHUIIA-LLVKDONJSA-N 1 2 265.357 2.230 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)n1nc(C)c(C)c1C)[NH2+]C ZINC000068649154 521323837 /nfs/dbraw/zinc/32/38/37/521323837.db2.gz DNNAJIXLWKLJFH-BMIGLBTASA-N 1 2 281.400 2.301 10 0 CEAELO CCC(CC)[N@H+](C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069099490 521543889 /nfs/dbraw/zinc/54/38/89/521543889.db2.gz YBSLBICGMMYCEY-OAHLLOKOSA-N 1 2 270.417 2.338 10 0 CEAELO CCC(CC)[N@@H+](C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069099490 521543899 /nfs/dbraw/zinc/54/38/99/521543899.db2.gz YBSLBICGMMYCEY-OAHLLOKOSA-N 1 2 270.417 2.338 10 0 CEAELO COC(=O)c1ccccc1C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000093606548 534290450 /nfs/dbraw/zinc/29/04/50/534290450.db2.gz SJJHMJDZVXYQCQ-TXEJJXNPSA-N 1 2 263.337 2.082 10 0 CEAELO COC(=O)c1ccccc1C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000093606548 534290452 /nfs/dbraw/zinc/29/04/52/534290452.db2.gz SJJHMJDZVXYQCQ-TXEJJXNPSA-N 1 2 263.337 2.082 10 0 CEAELO CC(C)N(CC1CC1)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061540163 519641017 /nfs/dbraw/zinc/64/10/17/519641017.db2.gz GGPQZXCDDFVFAF-UHFFFAOYSA-N 1 2 292.774 2.336 10 0 CEAELO CCC1=NN(c2ccc(C)cc2)C(=O)[C@H]1CCC[NH3+] ZINC000069506816 519849278 /nfs/dbraw/zinc/84/92/78/519849278.db2.gz SOBFCEXAONYJCQ-ZDUSSCGKSA-N 1 2 259.353 2.463 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccon1)C2 ZINC000183536474 519868786 /nfs/dbraw/zinc/86/87/86/519868786.db2.gz TWESUDVXWVHVMQ-UHFFFAOYSA-N 1 2 289.339 2.122 10 0 CEAELO CCCC1=NN(c2ccccc2OC)C(=O)[C@H]1CC[NH3+] ZINC000069506632 519894395 /nfs/dbraw/zinc/89/43/95/519894395.db2.gz OHZTXOJAGCUQSK-NSHDSACASA-N 1 2 275.352 2.163 10 0 CEAELO CCC[NH2+][C@@H](c1nccn1CC)c1cccnc1OC ZINC000061446672 520020585 /nfs/dbraw/zinc/02/05/85/520020585.db2.gz WPTJUUQIOJZSQY-CYBMUJFWSA-N 1 2 274.368 2.396 10 0 CEAELO CCC[NH2+][C@@](COc1ccccc1)(C(=O)OC)C1CC1 ZINC000069197561 520057319 /nfs/dbraw/zinc/05/73/19/520057319.db2.gz YVPWXUJBKOECJE-MRXNPFEDSA-N 1 2 277.364 2.387 10 0 CEAELO CCC[NH2+][C@H](CCOc1ccc(OC)cc1)C(=O)OCC ZINC000062550572 520079250 /nfs/dbraw/zinc/07/92/50/520079250.db2.gz UFYKYMLMAMSDJR-OAHLLOKOSA-N 1 2 295.379 2.395 10 0 CEAELO CC[NH2+][C@@H](CCOc1cccc(OCC)c1)C(=O)OC ZINC000062595867 520092192 /nfs/dbraw/zinc/09/21/92/520092192.db2.gz UUDHDTDDFHDXBX-AWEZNQCLSA-N 1 2 281.352 2.005 10 0 CEAELO CC[NH2+][C@@](C)(CCn1ncc2ccccc21)C(=O)OCC ZINC000050528436 520134221 /nfs/dbraw/zinc/13/42/21/520134221.db2.gz RZAIPCKSWIKIOY-INIZCTEOSA-N 1 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/nfs/dbraw/zinc/24/57/38/520245738.db2.gz SEEXHGDOJLDFQE-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@](C[N@@H+](CC)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069099214 520245747 /nfs/dbraw/zinc/24/57/47/520245747.db2.gz SEEXHGDOJLDFQE-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@](C[N@H+](C)[C@@H](C)C(C)(C)C)(C(=O)[O-])C1CC1 ZINC000069101054 520245803 /nfs/dbraw/zinc/24/58/03/520245803.db2.gz XTHVUWOGCHVTHO-NHYWBVRUSA-N 1 2 270.417 2.196 10 0 CEAELO CC[NH2+][C@](C[N@@H+](C)[C@@H](C)C(C)(C)C)(C(=O)[O-])C1CC1 ZINC000069101054 520245810 /nfs/dbraw/zinc/24/58/10/520245810.db2.gz XTHVUWOGCHVTHO-NHYWBVRUSA-N 1 2 270.417 2.196 10 0 CEAELO CCNc1ccc(Cn2ncc(=O)c3ccccc32)c[nH+]1 ZINC000050829577 520317779 /nfs/dbraw/zinc/31/77/79/520317779.db2.gz FXBHWCMPRXIPIN-UHFFFAOYSA-N 1 2 280.331 2.272 10 0 CEAELO CCOC(=O)CC(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000068814483 520587519 /nfs/dbraw/zinc/58/75/19/520587519.db2.gz OGLNLLSRMGQIRP-UHFFFAOYSA-N 1 2 283.755 2.294 10 0 CEAELO CCOC(=O)CC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000068814483 520587527 /nfs/dbraw/zinc/58/75/27/520587527.db2.gz OGLNLLSRMGQIRP-UHFFFAOYSA-N 1 2 283.755 2.294 10 0 CEAELO CCN(CC)c1nc(Cl)nc(-n2c[nH+]c(C)c2C)n1 ZINC000061543141 520925944 /nfs/dbraw/zinc/92/59/44/520925944.db2.gz IIZPJVIPHMXBKT-UHFFFAOYSA-N 1 2 280.763 2.174 10 0 CEAELO CCOC(=O)[C@@H](CCOC(C)(C)CC)[NH2+]C1CC1 ZINC000062543170 521059591 /nfs/dbraw/zinc/05/95/91/521059591.db2.gz FOJLHZMAIHOTIT-GFCCVEGCSA-N 1 2 257.374 2.265 10 0 CEAELO CCOC(=O)[C@H](CCOC(C)(C)CC)[NH2+]C1CC1 ZINC000062543169 521245482 /nfs/dbraw/zinc/24/54/82/521245482.db2.gz FOJLHZMAIHOTIT-LBPRGKRZSA-N 1 2 257.374 2.265 10 0 CEAELO CCOC(=O)[C@H](CCn1ncc2ccccc21)[NH2+]C(C)C ZINC000062538033 521250058 /nfs/dbraw/zinc/25/00/58/521250058.db2.gz JNMLXWGECYNBLP-AWEZNQCLSA-N 1 2 289.379 2.356 10 0 CEAELO CCC(C)(C)N(C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000069460357 521311255 /nfs/dbraw/zinc/31/12/55/521311255.db2.gz PQMBTEZGNZVPAT-UHFFFAOYSA-N 1 2 280.763 2.336 10 0 CEAELO CCOC(=O)[C@](C)(Cn1ncc2ccccc21)[NH2+]C1CC1 ZINC000050528243 521324161 /nfs/dbraw/zinc/32/41/61/521324161.db2.gz ZSPBHXGCQKAFPY-INIZCTEOSA-N 1 2 287.363 2.110 10 0 CEAELO CCOC(=O)[C@](COC(C)C)([NH2+]C(C)C)C1CC1 ZINC000069196336 521341312 /nfs/dbraw/zinc/34/13/12/521341312.db2.gz JJMOMRUYXHEJLD-CQSZACIVSA-N 1 2 257.374 2.121 10 0 CEAELO CCOC(=O)[C@](COc1ccc(F)c(F)c1)([NH2+]C)C1CC1 ZINC000069198160 521342326 /nfs/dbraw/zinc/34/23/26/521342326.db2.gz SHIRIEWLETWRCU-OAHLLOKOSA-N 1 2 299.317 2.275 10 0 CEAELO CCOC(=O)[C@](Cn1cc(Cl)cn1)([NH2+]C(C)C)C1CC1 ZINC000069192564 521343082 /nfs/dbraw/zinc/34/30/82/521343082.db2.gz LCZNMGNXQZEBHN-CQSZACIVSA-N 1 2 299.802 2.246 10 0 CEAELO CCOc1cccc(OC[C@@]([NH2+]C)(C(=O)OC)C2CC2)c1 ZINC000069198398 521402119 /nfs/dbraw/zinc/40/21/19/521402119.db2.gz OERFIOZBRXRWSY-INIZCTEOSA-N 1 2 293.363 2.005 10 0 CEAELO CCOc1cccc(OCC[C@H]([NH2+]C(C)C)C(=O)OC)c1 ZINC000062595902 521402252 /nfs/dbraw/zinc/40/22/52/521402252.db2.gz WDAWCAYLIZAVCZ-HNNXBMFYSA-N 1 2 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NC(=S)c1cc(NCc2ccc3c(c2)OCO3)cc[nH+]1 ZINC000061813364 527116165 /nfs/dbraw/zinc/11/61/65/527116165.db2.gz IITKTJPVGRSDKE-UHFFFAOYSA-N 1 2 287.344 2.057 10 0 CEAELO O=S(=O)(c1ccccc1NCc1c[nH+]c[nH]1)C(F)F ZINC000054764759 527290242 /nfs/dbraw/zinc/29/02/42/527290242.db2.gz PPXCAUYEYYXCDX-UHFFFAOYSA-N 1 2 287.291 2.018 10 0 CEAELO O=S(=O)(c1ccccc1NCc1c[nH]c[nH+]1)C(F)F ZINC000054764759 527290246 /nfs/dbraw/zinc/29/02/46/527290246.db2.gz PPXCAUYEYYXCDX-UHFFFAOYSA-N 1 2 287.291 2.018 10 0 CEAELO Nc1ccc(C[NH+]2CCN(c3nccs3)CC2)c(F)c1 ZINC000069400344 527482591 /nfs/dbraw/zinc/48/25/91/527482591.db2.gz NNSOODXERVSWQD-UHFFFAOYSA-N 1 2 292.383 2.187 10 0 CEAELO Nc1ccc2[nH]c(CSc3ncnc4[nH]cnc43)[nH+]c2c1 ZINC000051035912 527509536 /nfs/dbraw/zinc/50/95/36/527509536.db2.gz VKUAVVBBVLXPCU-UHFFFAOYSA-N 1 2 297.347 2.104 10 0 CEAELO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000366679313 527597921 /nfs/dbraw/zinc/59/79/21/527597921.db2.gz NCPJMBWQNLJUSM-STQMWFEESA-N 1 2 294.301 2.385 10 0 CEAELO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000366679313 527597925 /nfs/dbraw/zinc/59/79/25/527597925.db2.gz NCPJMBWQNLJUSM-STQMWFEESA-N 1 2 294.301 2.385 10 0 CEAELO COC(=O)[C@@H](C)[C@H](C)[N@@H+]1CCCc2cc(N)ccc21 ZINC000093038392 536443475 /nfs/dbraw/zinc/44/34/75/536443475.db2.gz PRCJXXFUOLIGFE-QWRGUYRKSA-N 1 2 262.353 2.219 10 0 CEAELO COC(=O)[C@@H](C)[C@H](C)[N@H+]1CCCc2cc(N)ccc21 ZINC000093038392 536443477 /nfs/dbraw/zinc/44/34/77/536443477.db2.gz PRCJXXFUOLIGFE-QWRGUYRKSA-N 1 2 262.353 2.219 10 0 CEAELO C[C@@H]1CC[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC000178169895 625958858 /nfs/dbraw/zinc/95/88/58/625958858.db2.gz ASTZIOCCVDFVDJ-DOMZBBRYSA-N 1 2 285.347 2.056 10 0 CEAELO COc1c2c(sc1C(=O)N1CC[NH+](C)CC1)CCCC2 ZINC000223463021 630669168 /nfs/dbraw/zinc/66/91/68/630669168.db2.gz JCPRWBTWXMMUPJ-UHFFFAOYSA-N 1 2 294.420 2.023 10 0 CEAELO Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262737756 631210414 /nfs/dbraw/zinc/21/04/14/631210414.db2.gz CHMFEGXNIFSYCU-STQMWFEESA-N 1 2 280.318 2.096 10 0 CEAELO CCC1(CC)CN(C[N@@H+]2CCS[C@@H](C)C2)C(=O)O1 ZINC000180242108 641436057 /nfs/dbraw/zinc/43/60/57/641436057.db2.gz MGDYQNHYMJESLB-NSHDSACASA-N 1 2 272.414 2.392 10 0 CEAELO CCC1(CC)CN(C[N@H+]2CCS[C@@H](C)C2)C(=O)O1 ZINC000180242108 641436065 /nfs/dbraw/zinc/43/60/65/641436065.db2.gz MGDYQNHYMJESLB-NSHDSACASA-N 1 2 272.414 2.392 10 0 CEAELO CNc1[nH+]ccc(OC2CC2)c1I ZINC000095729021 185022246 /nfs/dbraw/zinc/02/22/46/185022246.db2.gz OYLGYGLWDLCVEZ-UHFFFAOYSA-N 1 2 290.104 2.269 10 0 CEAELO Cc1cc2c(nc(C[C@@H]3CCCO3)[nH+]c2NN)s1 ZINC000082485787 178055317 /nfs/dbraw/zinc/05/53/17/178055317.db2.gz QIBDQTREPLNMJF-QMMMGPOBSA-N 1 2 264.354 2.007 10 0 CEAELO Cc1[nH+]cn(-c2ncc(Br)cn2)c1C ZINC000082663824 178153013 /nfs/dbraw/zinc/15/30/13/178153013.db2.gz WVYOMLAJUOJXLL-UHFFFAOYSA-N 1 2 253.103 2.042 10 0 CEAELO CC[C@H](C)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000127822079 187334744 /nfs/dbraw/zinc/33/47/44/187334744.db2.gz OURIGTATTQLMDP-NSHDSACASA-N 1 2 258.387 2.425 10 0 CEAELO [NH3+][C@H](c1noc(C(F)(F)F)n1)c1ccc(F)cc1F ZINC000036764941 361855192 /nfs/dbraw/zinc/85/51/92/361855192.db2.gz MAWHWXGMKPPDKO-ZETCQYMHSA-N 1 2 279.168 2.415 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1)C2 ZINC000220585316 539258652 /nfs/dbraw/zinc/25/86/52/539258652.db2.gz GEVAZEPBJNQBKN-CYBMUJFWSA-N 1 2 269.348 2.139 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1)CC2 ZINC000220585316 539258653 /nfs/dbraw/zinc/25/86/53/539258653.db2.gz GEVAZEPBJNQBKN-CYBMUJFWSA-N 1 2 269.348 2.139 10 0 CEAELO Cc1nc([C@@H]([NH3+])c2cc(Br)ccc2F)no1 ZINC000036762253 343424377 /nfs/dbraw/zinc/42/43/77/343424377.db2.gz JCSUCGGJJVTBLT-VIFPVBQESA-N 1 2 286.104 2.328 10 0 CEAELO COc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc2c1OCCO2 ZINC000126947000 187271742 /nfs/dbraw/zinc/27/17/42/187271742.db2.gz IHVGYVVCSFHEEU-VXGBXAGGSA-N 1 2 293.363 2.076 10 0 CEAELO Nc1[nH+]cccc1OC(F)(F)CBr ZINC000114749240 344280876 /nfs/dbraw/zinc/28/08/76/344280876.db2.gz IZJKDSDCFKQELU-UHFFFAOYSA-N 1 2 253.046 2.030 10 0 CEAELO CN1c2ccccc2N=C(c2ccccc2)[C@@H]([NH3+])C1=O ZINC000165449613 344474395 /nfs/dbraw/zinc/47/43/95/344474395.db2.gz BPFPGKAMYLTIOA-CQSZACIVSA-N 1 2 265.316 2.111 10 0 CEAELO Cc1c(C2=NC(C)(C)CO2)cccc1[C@@H](O)c1c[nH]c[nH+]1 ZINC000165977522 344475459 /nfs/dbraw/zinc/47/54/59/344475459.db2.gz HAVBWYZASJBFHB-CQSZACIVSA-N 1 2 285.347 2.355 10 0 CEAELO CN(Cc1ccccc1)c1nc[nH+]c(N)c1Br ZINC000234308769 344584086 /nfs/dbraw/zinc/58/40/86/344584086.db2.gz YMWCULCUFDUFTQ-UHFFFAOYSA-N 1 2 293.168 2.458 10 0 CEAELO CN(Cc1ccccc1)c1[nH+]cnc(N)c1Br ZINC000234308769 344584090 /nfs/dbraw/zinc/58/40/90/344584090.db2.gz YMWCULCUFDUFTQ-UHFFFAOYSA-N 1 2 293.168 2.458 10 0 CEAELO Nc1c(I)c[nH+]cc1C(F)(F)F ZINC000306909920 344718995 /nfs/dbraw/zinc/71/89/95/344718995.db2.gz HZGMAGCPXFCFNJ-UHFFFAOYSA-N 1 2 288.010 2.287 10 0 CEAELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)c1cccn1C1CC1 ZINC000328625400 344756691 /nfs/dbraw/zinc/75/66/91/344756691.db2.gz KQURANYCQLYTGN-GFCCVEGCSA-N 1 2 284.363 2.012 10 0 CEAELO CC[C@H]1CCN(c2cc(N[C@@H]3CCCOC3)[nH+]cn2)C1 ZINC000328624843 344756705 /nfs/dbraw/zinc/75/67/05/344756705.db2.gz CQSMPWCTCKPROX-QWHCGFSZSA-N 1 2 276.384 2.304 10 0 CEAELO CC[C@H]1CCN(c2cc(N[C@@H]3CCCOC3)nc[nH+]2)C1 ZINC000328624843 344756707 /nfs/dbraw/zinc/75/67/07/344756707.db2.gz CQSMPWCTCKPROX-QWHCGFSZSA-N 1 2 276.384 2.304 10 0 CEAELO [NH3+][C@H](c1ccsn1)c1nscc1Br ZINC000404768426 344881954 /nfs/dbraw/zinc/88/19/54/344881954.db2.gz HZNJPCLMHQQZRR-ZCFIWIBFSA-N 1 2 276.184 2.410 10 0 CEAELO CC[N@H+](Cc1ccoc1)Cc1ncccc1C(=O)OC ZINC000590951862 345204532 /nfs/dbraw/zinc/20/45/32/345204532.db2.gz BBGJXSZHNNWYLE-UHFFFAOYSA-N 1 2 274.320 2.483 10 0 CEAELO CC[N@@H+](Cc1ccoc1)Cc1ncccc1C(=O)OC ZINC000590951862 345204534 /nfs/dbraw/zinc/20/45/34/345204534.db2.gz BBGJXSZHNNWYLE-UHFFFAOYSA-N 1 2 274.320 2.483 10 0 CEAELO C[NH2+][C@](COc1cc(C)ccc1F)(C(=O)OC)C1CC1 ZINC000085561821 179094354 /nfs/dbraw/zinc/09/43/54/179094354.db2.gz RZPGBVHLRLRNFT-HNNXBMFYSA-N 1 2 281.327 2.054 10 0 CEAELO CC[NH2+][C@](C)(COc1cc(C)ccc1F)C(=O)OC ZINC000085561731 179094432 /nfs/dbraw/zinc/09/44/32/179094432.db2.gz PCBLWXVPVKCKHR-CQSZACIVSA-N 1 2 269.316 2.054 10 0 CEAELO C[C@@H]1CC[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)O1 ZINC000129814398 365896948 /nfs/dbraw/zinc/89/69/48/365896948.db2.gz ORYFXARZBDTFSO-CZUORRHYSA-N 1 2 299.374 2.115 10 0 CEAELO COc1ccc(-c2[nH+]c(C3CC3)n(N)c2N)cc1Cl ZINC000086584330 179308946 /nfs/dbraw/zinc/30/89/46/179308946.db2.gz MHEFBNNRILIHOK-UHFFFAOYSA-N 1 2 278.743 2.386 10 0 CEAELO CCCCC[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000130271506 365939361 /nfs/dbraw/zinc/93/93/61/365939361.db2.gz IHUQQHFOVAKITK-GJZGRUSLSA-N 1 2 284.444 2.286 10 0 CEAELO CCCCC[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000130271506 365939365 /nfs/dbraw/zinc/93/93/65/365939365.db2.gz IHUQQHFOVAKITK-GJZGRUSLSA-N 1 2 284.444 2.286 10 0 CEAELO COC(=O)COc1ccc([NH2+][C@H]2CCCOCC2)cc1 ZINC000086870764 179363721 /nfs/dbraw/zinc/36/37/21/179363721.db2.gz DWWXORYJHRNEGG-LBPRGKRZSA-N 1 2 279.336 2.219 10 0 CEAELO Cc1cc[nH+]c(N)c1C(=O)[C@H]1CSCCS1 ZINC000086981853 179373948 /nfs/dbraw/zinc/37/39/48/179373948.db2.gz KOZJYEVRZGIFGI-MRVPVSSYSA-N 1 2 254.380 2.004 10 0 CEAELO C[C@H]1c2cccn2CC[N@H+]1Cc1cnn2cccnc12 ZINC000067740537 362921138 /nfs/dbraw/zinc/92/11/38/362921138.db2.gz RRKWSJPWXSEPPR-LBPRGKRZSA-N 1 2 267.336 2.108 10 0 CEAELO C[C@H]1c2cccn2CC[N@@H+]1Cc1cnn2cccnc12 ZINC000067740537 362921142 /nfs/dbraw/zinc/92/11/42/362921142.db2.gz RRKWSJPWXSEPPR-LBPRGKRZSA-N 1 2 267.336 2.108 10 0 CEAELO CCOC(=O)N1CCC[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616626928 348539601 /nfs/dbraw/zinc/53/96/01/348539601.db2.gz FQXFBJATZSZTRD-NSHDSACASA-N 1 2 263.341 2.220 10 0 CEAELO CC(C)(C)OC(=O)N1CCOC[C@@H](c2ccc[nH+]c2N)C1 ZINC000616659906 348551792 /nfs/dbraw/zinc/55/17/92/348551792.db2.gz JWVFTYHXHGZAGB-NSHDSACASA-N 1 2 293.367 2.015 10 0 CEAELO CCOC(=O)N1CC[NH2+][C@H](c2nccc3ccccc32)C1 ZINC000616632032 348541378 /nfs/dbraw/zinc/54/13/78/348541378.db2.gz DYLPMQOCFLLEBC-AWEZNQCLSA-N 1 2 285.347 2.338 10 0 CEAELO c1onnc1[C@H]1COCCC[N@H+]1Cc1ccccc1 ZINC000616648518 348547229 /nfs/dbraw/zinc/54/72/29/348547229.db2.gz WCJITKBJHPYBKH-CQSZACIVSA-N 1 2 259.309 2.033 10 0 CEAELO c1onnc1[C@H]1COCCC[N@@H+]1Cc1ccccc1 ZINC000616648518 348547232 /nfs/dbraw/zinc/54/72/32/348547232.db2.gz WCJITKBJHPYBKH-CQSZACIVSA-N 1 2 259.309 2.033 10 0 CEAELO CC(C)(C)OC(=O)N1CCCO[C@@H](Nc2cccc[nH+]2)C1 ZINC000616652428 348548409 /nfs/dbraw/zinc/54/84/09/348548409.db2.gz XUAAVNHUXCJPBQ-CYBMUJFWSA-N 1 2 293.367 2.477 10 0 CEAELO CC(C)(C)OC(=O)N1CCCO[C@H](c2ccc[nH+]c2N)C1 ZINC000616652161 348548530 /nfs/dbraw/zinc/54/85/30/348548530.db2.gz JDXVRODKVNDUBN-LBPRGKRZSA-N 1 2 293.367 2.362 10 0 CEAELO C[C@@H](O)[C@@H]([NH3+])c1nc(C2CCC(C)(C)CC2)no1 ZINC000087939671 179527373 /nfs/dbraw/zinc/52/73/73/179527373.db2.gz YTUKMTISOTUUDW-PSASIEDQSA-N 1 2 253.346 2.134 10 0 CEAELO CN(Cc1cscn1)c1nc[nH+]c2cc(N)ccc21 ZINC000087820806 179492967 /nfs/dbraw/zinc/49/29/67/179492967.db2.gz ZKRSQDMJHQVRQG-UHFFFAOYSA-N 1 2 271.349 2.305 10 0 CEAELO c1cc([C@H]2CCOCC[N@H+]2Cc2ccccc2)n[nH]1 ZINC000616658350 348550428 /nfs/dbraw/zinc/55/04/28/348550428.db2.gz JNYBZVNAOVJQQW-OAHLLOKOSA-N 1 2 257.337 2.373 10 0 CEAELO c1cc([C@H]2CCOCC[N@@H+]2Cc2ccccc2)n[nH]1 ZINC000616658350 348550429 /nfs/dbraw/zinc/55/04/29/348550429.db2.gz JNYBZVNAOVJQQW-OAHLLOKOSA-N 1 2 257.337 2.373 10 0 CEAELO CC(=O)N1c2ccccc2NC[C@H]1c1ccc[nH+]c1N ZINC000616584909 348526631 /nfs/dbraw/zinc/52/66/31/348526631.db2.gz NSKZMWRCEBOTCL-AWEZNQCLSA-N 1 2 268.320 2.184 10 0 CEAELO COC(=O)N1C[C@@H](c2cc[nH+]c(N)c2)Cc2ccccc21 ZINC000616671539 348555832 /nfs/dbraw/zinc/55/58/32/348555832.db2.gz NYGPMQVHSHQPCC-ZDUSSCGKSA-N 1 2 283.331 2.407 10 0 CEAELO CCN1c2ccccc2NC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616682069 348559018 /nfs/dbraw/zinc/55/90/18/348559018.db2.gz DPMXDMOGSVUYGP-CQSZACIVSA-N 1 2 254.337 2.487 10 0 CEAELO CC1(O)C[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000089647461 179838563 /nfs/dbraw/zinc/83/85/63/179838563.db2.gz NWYLJFCPSRGJIY-UHFFFAOYSA-N 1 2 257.333 2.285 10 0 CEAELO CCCn1c[nH+]cc1CNc1cnc2c(c1)c(C)nn2C ZINC000090204415 179930943 /nfs/dbraw/zinc/93/09/43/179930943.db2.gz CWHYQPIJBQTCMR-UHFFFAOYSA-N 1 2 284.367 2.495 10 0 CEAELO COC(=O)[C@](C)(CCO[C@H](C)C(F)(F)F)[NH2+]C(C)C ZINC000090674138 180021466 /nfs/dbraw/zinc/02/14/66/180021466.db2.gz WOXMODYDKXVPPC-KOLCDFICSA-N 1 2 285.306 2.274 10 0 CEAELO COC(=O)[C@@H]([NH2+]C[C@H]1Cc2cc(C)ccc2O1)C(C)C ZINC000090897356 180056648 /nfs/dbraw/zinc/05/66/48/180056648.db2.gz YNCZUVZFLHUZAZ-HIFRSBDPSA-N 1 2 277.364 2.086 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897783 180057365 /nfs/dbraw/zinc/05/73/65/180057365.db2.gz PVOCGWOKYTVVJZ-GJZGRUSLSA-N 1 2 291.391 2.476 10 0 CEAELO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)n1C ZINC000091081409 180094295 /nfs/dbraw/zinc/09/42/95/180094295.db2.gz DOEDUCDUXNIDTG-GFCCVEGCSA-N 1 2 288.399 2.055 10 0 CEAELO CCc1nnc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)n1C ZINC000091081409 180094296 /nfs/dbraw/zinc/09/42/96/180094296.db2.gz DOEDUCDUXNIDTG-GFCCVEGCSA-N 1 2 288.399 2.055 10 0 CEAELO CCOC(=O)[C@@](C)(CCSC[C@H](C)CO)[NH2+]C(C)C ZINC000091259052 180115294 /nfs/dbraw/zinc/11/52/94/180115294.db2.gz GVUKNZJCELIZHV-TZMCWYRMSA-N 1 2 291.457 2.058 10 0 CEAELO Cc1nc([C@H]2CCc3ccccc32)[nH+]c(NN)c1F ZINC000091500624 180174926 /nfs/dbraw/zinc/17/49/26/180174926.db2.gz MORBNKNCYBPGKK-NSHDSACASA-N 1 2 258.300 2.288 10 0 CEAELO CC[C@](C)([C@@H](O)c1cccc(F)c1F)[NH+]1CCOCC1 ZINC000091611556 180206426 /nfs/dbraw/zinc/20/64/26/180206426.db2.gz CISGWTSEMGYKCR-LSDHHAIUSA-N 1 2 285.334 2.499 10 0 CEAELO CC[C@](C)([C@H](O)c1cc(F)ccc1F)[NH+]1CCOCC1 ZINC000091611266 180206529 /nfs/dbraw/zinc/20/65/29/180206529.db2.gz OXYNFLRRYUFFAU-HUUCEWRRSA-N 1 2 285.334 2.499 10 0 CEAELO CC[C@](C)([C@@H](O)Cc1ccncc1Cl)[NH+]1CCOCC1 ZINC000091611108 180206562 /nfs/dbraw/zinc/20/65/62/180206562.db2.gz APCLWSJGBVQWPB-LSDHHAIUSA-N 1 2 298.814 2.139 10 0 CEAELO c1ccn2c(c1)nnc2C[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660421 180218775 /nfs/dbraw/zinc/21/87/75/180218775.db2.gz HURYUMDLLVLTNK-CYBMUJFWSA-N 1 2 279.347 2.292 10 0 CEAELO CC(C)c1ccccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105280691 186050530 /nfs/dbraw/zinc/05/05/30/186050530.db2.gz HWQQYXWRZPGNDE-ZDUSSCGKSA-N 1 2 291.395 2.262 10 0 CEAELO CC(C)c1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105280691 186050531 /nfs/dbraw/zinc/05/05/31/186050531.db2.gz HWQQYXWRZPGNDE-ZDUSSCGKSA-N 1 2 291.395 2.262 10 0 CEAELO COc1cc(N)c(Cl)cc1-c1nc(C[NH+](C)C)no1 ZINC000091685405 180226113 /nfs/dbraw/zinc/22/61/13/180226113.db2.gz HGHPGTNXQZSALK-UHFFFAOYSA-N 1 2 282.731 2.042 10 0 CEAELO C[N@@H+]1CCO[C@H](C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000091688266 180226229 /nfs/dbraw/zinc/22/62/29/180226229.db2.gz JABGLWLDFWYLEI-NSHDSACASA-N 1 2 289.253 2.099 10 0 CEAELO C[N@H+]1CCO[C@H](C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000091688266 180226230 /nfs/dbraw/zinc/22/62/30/180226230.db2.gz JABGLWLDFWYLEI-NSHDSACASA-N 1 2 289.253 2.099 10 0 CEAELO C[NH+](C)Cc1noc(-c2cccc(Br)c2N)n1 ZINC000091685425 180226777 /nfs/dbraw/zinc/22/67/77/180226777.db2.gz SUHPNKJFQIKPOY-UHFFFAOYSA-N 1 2 297.156 2.143 10 0 CEAELO CC[C@H]1COCC[N@@H+]1[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091780682 180252552 /nfs/dbraw/zinc/25/25/52/180252552.db2.gz RGQJTCJCJQCETG-QWRGUYRKSA-N 1 2 267.325 2.238 10 0 CEAELO CC[C@H]1COCC[N@H+]1[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091780682 180252557 /nfs/dbraw/zinc/25/25/57/180252557.db2.gz RGQJTCJCJQCETG-QWRGUYRKSA-N 1 2 267.325 2.238 10 0 CEAELO O=C1CCCc2sc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722410 180239808 /nfs/dbraw/zinc/23/98/08/180239808.db2.gz NCLURNZGRWQFKU-KOLCDFICSA-N 1 2 278.377 2.198 10 0 CEAELO O=C1CCCc2sc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722410 180239812 /nfs/dbraw/zinc/23/98/12/180239812.db2.gz NCLURNZGRWQFKU-KOLCDFICSA-N 1 2 278.377 2.198 10 0 CEAELO CCOC(=O)[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092243269 180351330 /nfs/dbraw/zinc/35/13/30/180351330.db2.gz DYGNPWYXVOJWKD-PWSUYJOCSA-N 1 2 265.378 2.245 10 0 CEAELO CCNc1cccc(CN2CCCC[C@H]2C(=O)OCC)[nH+]1 ZINC000092368557 180370012 /nfs/dbraw/zinc/37/00/12/180370012.db2.gz VWLVMTAXXXDPNS-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO COC(=O)c1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000106778080 186135507 /nfs/dbraw/zinc/13/55/07/186135507.db2.gz ZVCZYUGINJSLIT-UHFFFAOYSA-N 1 2 260.293 2.139 10 0 CEAELO COc1ccc(C[NH2+][C@@H](C)c2cc[nH]n2)c(OC)c1 ZINC000109553685 186262447 /nfs/dbraw/zinc/26/24/47/186262447.db2.gz JTFFEABFVAKGMP-JTQLQIEISA-N 1 2 261.325 2.278 10 0 CEAELO CCc1[nH+]c(-c2ccc3c(c2)OCO3)nc(N)c1C ZINC000110468419 186298502 /nfs/dbraw/zinc/29/85/02/186298502.db2.gz DCTBDEDSAGPFGG-UHFFFAOYSA-N 1 2 257.293 2.325 10 0 CEAELO CCOc1cc(N(CCOC)C2CC2)ccc1[NH3+] ZINC000111051825 186348268 /nfs/dbraw/zinc/34/82/68/186348268.db2.gz NGGULLODILKPRV-UHFFFAOYSA-N 1 2 250.342 2.283 10 0 CEAELO CCc1ccc(C[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)o1 ZINC000122418369 187031394 /nfs/dbraw/zinc/03/13/94/187031394.db2.gz LXPMNBBYWUDGJE-INIZCTEOSA-N 1 2 289.379 2.248 10 0 CEAELO CCc1ccc(C[N@H+]2CCO[C@H](Cn3cc(C)cn3)C2)o1 ZINC000122418369 187031395 /nfs/dbraw/zinc/03/13/95/187031395.db2.gz LXPMNBBYWUDGJE-INIZCTEOSA-N 1 2 289.379 2.248 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC000122804291 187052836 /nfs/dbraw/zinc/05/28/36/187052836.db2.gz XHZJPEZBKDFORN-LBPRGKRZSA-N 1 2 277.397 2.226 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC000122804291 187052837 /nfs/dbraw/zinc/05/28/37/187052837.db2.gz XHZJPEZBKDFORN-LBPRGKRZSA-N 1 2 277.397 2.226 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cc1ccoc1)C2 ZINC000124280333 187129998 /nfs/dbraw/zinc/12/99/98/187129998.db2.gz PRDMWHZTSGDZCJ-UHFFFAOYSA-N 1 2 287.363 2.264 10 0 CEAELO COC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000152360196 188013140 /nfs/dbraw/zinc/01/31/40/188013140.db2.gz XTXAVLATQFBIGX-GFCCVEGCSA-N 1 2 291.351 2.115 10 0 CEAELO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000152516526 188025232 /nfs/dbraw/zinc/02/52/32/188025232.db2.gz XHYFBAXGISQURH-MRXNPFEDSA-N 1 2 283.375 2.335 10 0 CEAELO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000152516526 188025233 /nfs/dbraw/zinc/02/52/33/188025233.db2.gz XHYFBAXGISQURH-MRXNPFEDSA-N 1 2 283.375 2.335 10 0 CEAELO C[C@@H](NC(=O)COCC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173940884 188875905 /nfs/dbraw/zinc/87/59/05/188875905.db2.gz RLIBWUPHRXMDCN-CYBMUJFWSA-N 1 2 299.374 2.476 10 0 CEAELO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1C[C@@H]1C ZINC000075525780 363471501 /nfs/dbraw/zinc/47/15/01/363471501.db2.gz QVJHCPZKHBITEX-CMPLNLGQSA-N 1 2 257.337 2.123 10 0 CEAELO Brc1cncc(C[N@@H+]2CCn3ccnc3C2)c1 ZINC000134081287 366284992 /nfs/dbraw/zinc/28/49/92/366284992.db2.gz CUPUDGGEKYAXFM-UHFFFAOYSA-N 1 2 293.168 2.056 10 0 CEAELO Brc1cncc(C[N@H+]2CCn3ccnc3C2)c1 ZINC000134081287 366284995 /nfs/dbraw/zinc/28/49/95/366284995.db2.gz CUPUDGGEKYAXFM-UHFFFAOYSA-N 1 2 293.168 2.056 10 0 CEAELO CC(C)CNC(=O)CNc1ccc2ccccc2[nH+]1 ZINC000134468592 366326116 /nfs/dbraw/zinc/32/61/16/366326116.db2.gz RVNYBNDCVDKQFL-UHFFFAOYSA-N 1 2 257.337 2.419 10 0 CEAELO CN(Cc1cc[nH]n1)c1nc(C2CC2)[nH+]c2c1CCC2 ZINC000329123111 202197485 /nfs/dbraw/zinc/19/74/85/202197485.db2.gz LHEXUWJDYMZIQX-UHFFFAOYSA-N 1 2 269.352 2.202 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ncccc1C)C2 ZINC000220603632 538815994 /nfs/dbraw/zinc/81/59/94/538815994.db2.gz PDUVNQIJCLWNPK-LLVKDONJSA-N 1 2 270.336 2.165 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ncccc1C)CC2 ZINC000220603632 538815997 /nfs/dbraw/zinc/81/59/97/538815997.db2.gz PDUVNQIJCLWNPK-LLVKDONJSA-N 1 2 270.336 2.165 10 0 CEAELO CC[N@@H+]1CCC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685954771 540650608 /nfs/dbraw/zinc/65/06/08/540650608.db2.gz OQQFGSDKKSXVKH-UHFFFAOYSA-N 1 2 282.384 2.051 10 0 CEAELO CC[N@H+]1CCC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685954771 540650612 /nfs/dbraw/zinc/65/06/12/540650612.db2.gz OQQFGSDKKSXVKH-UHFFFAOYSA-N 1 2 282.384 2.051 10 0 CEAELO CCc1ncsc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000178641393 189133875 /nfs/dbraw/zinc/13/38/75/189133875.db2.gz VSVHBALWVOJFEY-LLVKDONJSA-N 1 2 279.409 2.016 10 0 CEAELO CCc1ncsc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000178641393 189133876 /nfs/dbraw/zinc/13/38/76/189133876.db2.gz VSVHBALWVOJFEY-LLVKDONJSA-N 1 2 279.409 2.016 10 0 CEAELO Nc1cc(F)ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000019868665 361564285 /nfs/dbraw/zinc/56/42/85/361564285.db2.gz VEUHFPIAOHAFHD-UHFFFAOYSA-N 1 2 272.327 2.130 10 0 CEAELO Cn1ncc2c1nc[nH+]c2N[C@H]1CCc2cc(N)ccc21 ZINC000094093274 364252364 /nfs/dbraw/zinc/25/23/64/364252364.db2.gz CTMVSGPEWQWJKW-ZDUSSCGKSA-N 1 2 280.335 2.045 10 0 CEAELO CCn1cc(C2CCN(c3cc(C)[nH+]cn3)CC2)cn1 ZINC000110413643 364721779 /nfs/dbraw/zinc/72/17/79/364721779.db2.gz PIMHLOWZHLGHRT-UHFFFAOYSA-N 1 2 271.368 2.385 10 0 CEAELO CCCC[C@@H](CC)CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000117236808 365098386 /nfs/dbraw/zinc/09/83/86/365098386.db2.gz GPKQFBBPTUCVEX-HUUCEWRRSA-N 1 2 284.444 2.430 10 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370553950 /nfs/dbraw/zinc/55/39/50/370553950.db2.gz LQCIOMUSFZTQIK-LLVKDONJSA-N 1 2 258.321 2.205 10 0 CEAELO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247041650 371053747 /nfs/dbraw/zinc/05/37/47/371053747.db2.gz DTUANIZVPGSNLJ-STQMWFEESA-N 1 2 279.384 2.125 10 0 CEAELO CCOC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247041650 371053749 /nfs/dbraw/zinc/05/37/49/371053749.db2.gz DTUANIZVPGSNLJ-STQMWFEESA-N 1 2 279.384 2.125 10 0 CEAELO Fc1ccc(OCc2noc([C@H]3C[C@H](F)C[NH2+]3)n2)cc1 ZINC000261718773 371710083 /nfs/dbraw/zinc/71/00/83/371710083.db2.gz JLVQWHSGSUHOKR-GXSJLCMTSA-N 1 2 281.262 2.160 10 0 CEAELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](CCOc2ccccc2)C1 ZINC000643859377 373288101 /nfs/dbraw/zinc/28/81/01/373288101.db2.gz CKTKRLLSOZAHHV-CABCVRRESA-N 1 2 287.363 2.251 10 0 CEAELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](CCOc2ccccc2)C1 ZINC000643859377 373288109 /nfs/dbraw/zinc/28/81/09/373288109.db2.gz CKTKRLLSOZAHHV-CABCVRRESA-N 1 2 287.363 2.251 10 0 CEAELO Cc1nc(NCc2ccc3c(c2)CCCN3)cc[nH+]1 ZINC000381465742 375174397 /nfs/dbraw/zinc/17/43/97/375174397.db2.gz JYZSZXMHRHVNNG-UHFFFAOYSA-N 1 2 254.337 2.177 10 0 CEAELO Cc1nnc([C@@H]2CCCC[N@@H+]2CCOCC2CC2)[nH]1 ZINC000328619771 376864328 /nfs/dbraw/zinc/86/43/28/376864328.db2.gz WGZZMWNZOFXARR-ZDUSSCGKSA-N 1 2 264.373 2.067 10 0 CEAELO Cc1nnc([C@@H]2CCCC[N@H+]2CCOCC2CC2)[nH]1 ZINC000328619771 376864342 /nfs/dbraw/zinc/86/43/42/376864342.db2.gz WGZZMWNZOFXARR-ZDUSSCGKSA-N 1 2 264.373 2.067 10 0 CEAELO O=C(C[N@@H+]1CCC[C@H]1c1ccco1)NCc1ccco1 ZINC000116288496 249312698 /nfs/dbraw/zinc/31/26/98/249312698.db2.gz IPGSSTMIAJFCJV-ZDUSSCGKSA-N 1 2 274.320 2.326 10 0 CEAELO O=C(C[N@H+]1CCC[C@H]1c1ccco1)NCc1ccco1 ZINC000116288496 249312701 /nfs/dbraw/zinc/31/27/01/249312701.db2.gz IPGSSTMIAJFCJV-ZDUSSCGKSA-N 1 2 274.320 2.326 10 0 CEAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000296185817 378444919 /nfs/dbraw/zinc/44/49/19/378444919.db2.gz LMFQUZNSRIALIU-ZJUUUORDSA-N 1 2 279.365 2.143 10 0 CEAELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000296185817 378444925 /nfs/dbraw/zinc/44/49/25/378444925.db2.gz LMFQUZNSRIALIU-ZJUUUORDSA-N 1 2 279.365 2.143 10 0 CEAELO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(O)cc(F)cc1F ZINC000177423274 542245728 /nfs/dbraw/zinc/24/57/28/542245728.db2.gz UIXHZYOHZNKCCB-NSHDSACASA-N 1 2 298.333 2.227 10 0 CEAELO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1c(O)cc(F)cc1F ZINC000177423274 542245729 /nfs/dbraw/zinc/24/57/29/542245729.db2.gz UIXHZYOHZNKCCB-NSHDSACASA-N 1 2 298.333 2.227 10 0 CEAELO CCC[C@@H]1C[C@@H]1Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000267600903 190340202 /nfs/dbraw/zinc/34/02/02/190340202.db2.gz FMJBTDYOPDABQS-AGIUHOORSA-N 1 2 276.384 2.038 10 0 CEAELO CCC[C@@H]1C[C@@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000267600903 190340203 /nfs/dbraw/zinc/34/02/03/190340203.db2.gz FMJBTDYOPDABQS-AGIUHOORSA-N 1 2 276.384 2.038 10 0 CEAELO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000120939250 296352115 /nfs/dbraw/zinc/35/21/15/296352115.db2.gz NWNWZWDLVVAGDO-APIJFGDWSA-N 1 2 282.428 2.133 10 0 CEAELO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000120939250 296352116 /nfs/dbraw/zinc/35/21/16/296352116.db2.gz NWNWZWDLVVAGDO-APIJFGDWSA-N 1 2 282.428 2.133 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]C)CC[C@H](OCCC(C)C)C1 ZINC000093835984 184730575 /nfs/dbraw/zinc/73/05/75/184730575.db2.gz VMEHYERQBYIZKN-GXTWGEPZSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]C[C@@H]2CCCO2)CCCC1(C)C ZINC000094310232 184778751 /nfs/dbraw/zinc/77/87/51/184778751.db2.gz LYUOCXJXXLNFBW-WFASDCNBSA-N 1 2 269.385 2.267 10 0 CEAELO Cc1cc(F)c([C@H](C)[NH2+]Cc2nncn2C)cc1F ZINC000094736760 184850044 /nfs/dbraw/zinc/85/00/44/184850044.db2.gz UXNHLPPKMRNASU-VIFPVBQESA-N 1 2 266.295 2.253 10 0 CEAELO CC[NH2+][C@@H](c1cc(OC)cc(OC)c1)c1ncccn1 ZINC000094650961 184834683 /nfs/dbraw/zinc/83/46/83/184834683.db2.gz SLHPJSGATCPCSA-AWEZNQCLSA-N 1 2 273.336 2.193 10 0 CEAELO CCC(=O)CCN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000190222998 130075669 /nfs/dbraw/zinc/07/56/69/130075669.db2.gz JPCFHGKPMMWQRY-UHFFFAOYSA-N 1 2 263.385 2.271 10 0 CEAELO CCC(=O)CC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000190222998 130075671 /nfs/dbraw/zinc/07/56/71/130075671.db2.gz JPCFHGKPMMWQRY-UHFFFAOYSA-N 1 2 263.385 2.271 10 0 CEAELO CCC(=O)CC[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000190222998 130075672 /nfs/dbraw/zinc/07/56/72/130075672.db2.gz JPCFHGKPMMWQRY-UHFFFAOYSA-N 1 2 263.385 2.271 10 0 CEAELO C[C@@H]1CC[C@H](C)CN1c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000088710935 135056666 /nfs/dbraw/zinc/05/66/66/135056666.db2.gz YJYJZUPGGWKPFB-VHSXEESVSA-N 1 2 292.774 2.336 10 0 CEAELO COc1ccccc1N1CC[NH+](CC(=O)C(C)C)CC1 ZINC000092998853 135078203 /nfs/dbraw/zinc/07/82/03/135078203.db2.gz XNOMNSOFQVVYLQ-UHFFFAOYSA-N 1 2 276.380 2.042 10 0 CEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)C1CCCC1 ZINC000176943895 395143362 /nfs/dbraw/zinc/14/33/62/395143362.db2.gz FUMPJWJNHVZPMQ-UHFFFAOYSA-N 1 2 256.371 2.321 10 0 CEAELO COc1nsc([C@H]2[NH2+]CCS2)c1Br ZINC000575455593 395664435 /nfs/dbraw/zinc/66/44/35/395664435.db2.gz MEZJCIJHWHIKEE-ZETCQYMHSA-N 1 2 281.200 2.249 10 0 CEAELO COc1ncccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000193325384 153229642 /nfs/dbraw/zinc/22/96/42/153229642.db2.gz MCELJVYBUFIQQZ-UHFFFAOYSA-N 1 2 272.352 2.193 10 0 CEAELO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195441373 153286064 /nfs/dbraw/zinc/28/60/64/153286064.db2.gz JFKKRCQWWQTVDN-QWRGUYRKSA-N 1 2 268.382 2.192 10 0 CEAELO COC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195441373 153286067 /nfs/dbraw/zinc/28/60/67/153286067.db2.gz JFKKRCQWWQTVDN-QWRGUYRKSA-N 1 2 268.382 2.192 10 0 CEAELO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246151809 162463667 /nfs/dbraw/zinc/46/36/67/162463667.db2.gz PLTVLBSRLGRCMN-NWDGAFQWSA-N 1 2 289.408 2.161 10 0 CEAELO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCS[C@@H](C)C1 ZINC000246151809 162463670 /nfs/dbraw/zinc/46/36/70/162463670.db2.gz PLTVLBSRLGRCMN-NWDGAFQWSA-N 1 2 289.408 2.161 10 0 CEAELO CCCCCC[C@@H](C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170781740 165040680 /nfs/dbraw/zinc/04/06/80/165040680.db2.gz KKNVPLGCDDEEKI-HUUCEWRRSA-N 1 2 284.444 2.430 10 0 CEAELO CCCCCC[C@@H](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170781740 165040686 /nfs/dbraw/zinc/04/06/86/165040686.db2.gz KKNVPLGCDDEEKI-HUUCEWRRSA-N 1 2 284.444 2.430 10 0 CEAELO CCOCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173714133 165076486 /nfs/dbraw/zinc/07/64/86/165076486.db2.gz ZXKZIABCLRWMJX-UHFFFAOYSA-N 1 2 265.357 2.342 10 0 CEAELO CCCc1nc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000173946002 165090075 /nfs/dbraw/zinc/09/00/75/165090075.db2.gz OHDBXYCNOVZFLI-CQSZACIVSA-N 1 2 295.452 2.002 10 0 CEAELO CCCc1nc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000173946002 165090077 /nfs/dbraw/zinc/09/00/77/165090077.db2.gz OHDBXYCNOVZFLI-CQSZACIVSA-N 1 2 295.452 2.002 10 0 CEAELO CCCc1nc(CN2CC[C@@H]([NH+]3CCOCC3)C2)cs1 ZINC000173946002 165090078 /nfs/dbraw/zinc/09/00/78/165090078.db2.gz OHDBXYCNOVZFLI-CQSZACIVSA-N 1 2 295.452 2.002 10 0 CEAELO CC(C)CC(C)(C)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000175449238 165136390 /nfs/dbraw/zinc/13/63/90/165136390.db2.gz LSADNSUULGMXEU-GJZGRUSLSA-N 1 2 296.455 2.238 10 0 CEAELO Cc1nnc([C@H]2C[N@H+](Cc3ccc(C)cc3C)CCO2)[nH]1 ZINC000180112117 165297997 /nfs/dbraw/zinc/29/79/97/165297997.db2.gz KSXNPIJEVYQOSE-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(C)cc3C)CCO2)[nH]1 ZINC000180112117 165298000 /nfs/dbraw/zinc/29/80/00/165298000.db2.gz KSXNPIJEVYQOSE-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@H]2C[N@H+](Cc3ccc(C)cc3C)CCO2)n[nH]1 ZINC000180112117 165298005 /nfs/dbraw/zinc/29/80/05/165298005.db2.gz KSXNPIJEVYQOSE-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@H]2C[N@@H+](Cc3ccc(C)cc3C)CCO2)n[nH]1 ZINC000180112117 165298010 /nfs/dbraw/zinc/29/80/10/165298010.db2.gz KSXNPIJEVYQOSE-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nnc([C@@H]2C[N@H+](Cc3cc(F)ccc3C)CCO2)[nH]1 ZINC000180238299 165301099 /nfs/dbraw/zinc/30/10/99/165301099.db2.gz FBFVNHPFKPEYOJ-AWEZNQCLSA-N 1 2 290.342 2.134 10 0 CEAELO Cc1nnc([C@@H]2C[N@@H+](Cc3cc(F)ccc3C)CCO2)[nH]1 ZINC000180238299 165301100 /nfs/dbraw/zinc/30/11/00/165301100.db2.gz FBFVNHPFKPEYOJ-AWEZNQCLSA-N 1 2 290.342 2.134 10 0 CEAELO C[C@H](Oc1ccc[nH+]c1N)C(=O)Nc1ccccc1 ZINC000020483635 171223543 /nfs/dbraw/zinc/22/35/43/171223543.db2.gz BTGWWNFTEWGZHW-JTQLQIEISA-N 1 2 257.293 2.070 10 0 CEAELO [NH3+]Cc1cccc(NS(=O)(=O)c2ccccc2F)c1 ZINC000021957782 171341948 /nfs/dbraw/zinc/34/19/48/171341948.db2.gz ZZAUUMOAPGWNHV-UHFFFAOYSA-N 1 2 280.324 2.085 10 0 CEAELO C[C@@H](C(N)=S)c1c[nH+]c2ccc(Br)cn21 ZINC000031935561 171665002 /nfs/dbraw/zinc/66/50/02/171665002.db2.gz QWIUORFHGLAOQU-ZCFIWIBFSA-N 1 2 284.182 2.486 10 0 CEAELO CC(C)CNC(=O)[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000035164438 172026047 /nfs/dbraw/zinc/02/60/47/172026047.db2.gz JBNWQROUUZOIKY-GFCCVEGCSA-N 1 2 263.385 2.325 10 0 CEAELO C[C@H](Nc1ccc([NH+](C)C)cc1)C(=O)NC(C)(C)C ZINC000035164430 172026214 /nfs/dbraw/zinc/02/62/14/172026214.db2.gz OSNABDGEHNGHFC-NSHDSACASA-N 1 2 263.385 2.468 10 0 CEAELO COC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CC(C)(C)O1 ZINC000285093450 196195688 /nfs/dbraw/zinc/19/56/88/196195688.db2.gz QGKRWMFSXZDLAT-NSHDSACASA-N 1 2 275.352 2.193 10 0 CEAELO C[C@H]1C[N@H+](CCCC(=O)c2cccs2)CCO1 ZINC000037322685 173123263 /nfs/dbraw/zinc/12/32/63/173123263.db2.gz UWZKQXIBKGXBCW-NSHDSACASA-N 1 2 253.367 2.432 10 0 CEAELO C[C@H]1C[N@@H+](CCCC(=O)c2cccs2)CCO1 ZINC000037322685 173123265 /nfs/dbraw/zinc/12/32/65/173123265.db2.gz UWZKQXIBKGXBCW-NSHDSACASA-N 1 2 253.367 2.432 10 0 CEAELO CCOC(=O)CN[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000037394285 173174572 /nfs/dbraw/zinc/17/45/72/173174572.db2.gz NUIQLOPHRXOEJJ-LBPRGKRZSA-N 1 2 273.336 2.086 10 0 CEAELO [NH2+]=C(Nc1nc(-c2ccccc2)no1)N1CCCC1 ZINC000038822011 174156299 /nfs/dbraw/zinc/15/62/99/174156299.db2.gz OZQFPNWMYWQOFJ-UHFFFAOYSA-N 1 2 257.297 2.179 10 0 CEAELO Cc1cc(C)cc(Nc2[nH+]cnc(N(C)C)c2N)c1 ZINC000040681791 174375244 /nfs/dbraw/zinc/37/52/44/174375244.db2.gz LOPXRRACIDLKCH-UHFFFAOYSA-N 1 2 257.341 2.485 10 0 CEAELO CCOC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC000040689705 174376353 /nfs/dbraw/zinc/37/63/53/174376353.db2.gz ZSZXZJZTXGAICZ-UHFFFAOYSA-N 1 2 253.367 2.432 10 0 CEAELO CN(C)c1nc[nH+]c(Nc2ccc(F)c(F)c2)c1N ZINC000040723620 174386027 /nfs/dbraw/zinc/38/60/27/174386027.db2.gz DONAHCBOEMHEFH-UHFFFAOYSA-N 1 2 265.267 2.147 10 0 CEAELO CN(C)c1[nH+]cnc(Nc2ccc(F)c(F)c2)c1N ZINC000040723620 174386028 /nfs/dbraw/zinc/38/60/28/174386028.db2.gz DONAHCBOEMHEFH-UHFFFAOYSA-N 1 2 265.267 2.147 10 0 CEAELO O=C(Nc1ccc(F)cn1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000122814553 414791652 /nfs/dbraw/zinc/79/16/52/414791652.db2.gz DKWYCWBJAVDCTF-GFCCVEGCSA-N 1 2 289.314 2.114 10 0 CEAELO CCCNC(=O)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000042294110 174676035 /nfs/dbraw/zinc/67/60/35/174676035.db2.gz CRZOANKZBVRTIC-NSHDSACASA-N 1 2 264.373 2.235 10 0 CEAELO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@H]1CC2CCC1CC2 ZINC000653276730 414971913 /nfs/dbraw/zinc/97/19/13/414971913.db2.gz OUDRBBWWHYFYTA-UHYZFRFASA-N 1 2 286.366 2.315 10 0 CEAELO Cc1noc(C[NH2+][C@@H]2CCCc3cc(O)ccc32)n1 ZINC000044747418 175243144 /nfs/dbraw/zinc/24/31/44/175243144.db2.gz QAHUXYJBPRGIHH-CYBMUJFWSA-N 1 2 259.309 2.251 10 0 CEAELO CC[NH2+][C@@](C)(CN(CC)c1ccccc1C)C(=O)OC ZINC000045222998 175330677 /nfs/dbraw/zinc/33/06/77/175330677.db2.gz PAHIPNLCDRSPPR-INIZCTEOSA-N 1 2 278.396 2.363 10 0 CEAELO CCC[NH2+][C@](C)(C[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231703 175335642 /nfs/dbraw/zinc/33/56/42/175335642.db2.gz UAVRNATUWVWFOL-SGMGOOAPSA-N 1 2 256.390 2.092 10 0 CEAELO C[C@](C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)([NH2+]C1CC1)C(=O)[O-] ZINC000045272049 175342925 /nfs/dbraw/zinc/34/29/25/175342925.db2.gz XSUHAMQPVOWCHW-WOSRLPQWSA-N 1 2 280.412 2.094 10 0 CEAELO C[C@](C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)([NH2+]C1CC1)C(=O)[O-] ZINC000045272049 175342926 /nfs/dbraw/zinc/34/29/26/175342926.db2.gz XSUHAMQPVOWCHW-WOSRLPQWSA-N 1 2 280.412 2.094 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274665 175344954 /nfs/dbraw/zinc/34/49/54/175344954.db2.gz WQEZDVSVCGOPKP-SMDDNHRTSA-N 1 2 258.406 2.196 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274665 175344956 /nfs/dbraw/zinc/34/49/56/175344956.db2.gz WQEZDVSVCGOPKP-SMDDNHRTSA-N 1 2 258.406 2.196 10 0 CEAELO CC[NH2+][C@](C)(CN(CC)c1cccc(F)c1)C(=O)OC ZINC000045275399 175345746 /nfs/dbraw/zinc/34/57/46/175345746.db2.gz NRCAQAICLPLCII-OAHLLOKOSA-N 1 2 282.359 2.193 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280511 175350252 /nfs/dbraw/zinc/35/02/52/175350252.db2.gz QPDMQWYTAXADSF-SSDMNJCBSA-N 1 2 270.417 2.338 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280511 175350253 /nfs/dbraw/zinc/35/02/53/175350253.db2.gz QPDMQWYTAXADSF-SSDMNJCBSA-N 1 2 270.417 2.338 10 0 CEAELO CCC[NH2+][C@](C)(Cc1ccc(OC)cc1)C(=O)OC ZINC000071169722 176050659 /nfs/dbraw/zinc/05/06/59/176050659.db2.gz SKYPTZRGXKDNKT-OAHLLOKOSA-N 1 2 265.353 2.169 10 0 CEAELO Nc1ccn(CCn2cc[nH+]c2-c2ccccc2)n1 ZINC000071378594 176143384 /nfs/dbraw/zinc/14/33/84/176143384.db2.gz BNPARWCIRPHROZ-UHFFFAOYSA-N 1 2 253.309 2.029 10 0 CEAELO Cc1ccc(N)c(C(=O)N(Cc2[nH+]ccn2C)C2CC2)c1 ZINC000071383185 176146556 /nfs/dbraw/zinc/14/65/56/176146556.db2.gz BBUFWYRBXOMIRE-UHFFFAOYSA-N 1 2 284.363 2.116 10 0 CEAELO CC(C)(C)C(=O)NCCc1cn2cc(F)ccc2[nH+]1 ZINC000071489957 176190035 /nfs/dbraw/zinc/19/00/35/176190035.db2.gz IPVOHRSLTFZGCM-UHFFFAOYSA-N 1 2 263.316 2.178 10 0 CEAELO Cc1cn2ccc(C(=O)Nc3nnc(C)s3)cc2[nH+]1 ZINC000071554667 176196897 /nfs/dbraw/zinc/19/68/97/176196897.db2.gz XKJWTLYAEBBNOV-UHFFFAOYSA-N 1 2 273.321 2.055 10 0 CEAELO COC(=O)[C@H]1C[C@@H](Oc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000072233625 176344842 /nfs/dbraw/zinc/34/48/42/176344842.db2.gz JYPQRTNZYVAOJR-LDYMZIIASA-N 1 2 290.146 2.276 10 0 CEAELO Cc1cc2c(cc1Cl)[nH+]cc1c2NCCNC1=O ZINC000072237436 176346351 /nfs/dbraw/zinc/34/63/51/176346351.db2.gz VVDVITYWNZSNAT-UHFFFAOYSA-N 1 2 261.712 2.352 10 0 CEAELO CCC1(CC)CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662687785 415930913 /nfs/dbraw/zinc/93/09/13/415930913.db2.gz KLBOIOBHNHUSJI-LLVKDONJSA-N 1 2 274.355 2.412 10 0 CEAELO CCC1(CC)CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662687788 415931284 /nfs/dbraw/zinc/93/12/84/415931284.db2.gz KLBOIOBHNHUSJI-NSHDSACASA-N 1 2 274.355 2.412 10 0 CEAELO O=C1CC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC000076700166 177062091 /nfs/dbraw/zinc/06/20/91/177062091.db2.gz CGBIVPLKTIBZNJ-UHFFFAOYSA-N 1 2 268.154 2.266 10 0 CEAELO O=C1CC[N@H+](CCc2ccc(Br)cc2)C1 ZINC000076700166 177062093 /nfs/dbraw/zinc/06/20/93/177062093.db2.gz CGBIVPLKTIBZNJ-UHFFFAOYSA-N 1 2 268.154 2.266 10 0 CEAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCc1cccc(Cl)c1 ZINC000077369739 177258849 /nfs/dbraw/zinc/25/88/49/177258849.db2.gz LMNBVXRGIJHFOI-RYUDHWBXSA-N 1 2 296.798 2.065 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cc2c(s1)CCCC2 ZINC000078723687 177375864 /nfs/dbraw/zinc/37/58/64/177375864.db2.gz CPSWRUKEYNFRQW-UHFFFAOYSA-N 1 2 275.377 2.323 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cc2c(s1)CCCC2 ZINC000078723687 177375866 /nfs/dbraw/zinc/37/58/66/177375866.db2.gz CPSWRUKEYNFRQW-UHFFFAOYSA-N 1 2 275.377 2.323 10 0 CEAELO Cn1ncc(Cl)c1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000187118878 270253532 /nfs/dbraw/zinc/25/35/32/270253532.db2.gz ZFHKXJUMECOXRS-UHFFFAOYSA-N 1 2 279.775 2.176 10 0 CEAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1noc(-c2ccccc2)n1 ZINC000296078629 278085811 /nfs/dbraw/zinc/08/58/11/278085811.db2.gz GVOUAHHZLRQQBV-YPMHNXCESA-N 1 2 273.336 2.082 10 0 CEAELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1noc(-c2ccccc2)n1 ZINC000296078629 278085813 /nfs/dbraw/zinc/08/58/13/278085813.db2.gz GVOUAHHZLRQQBV-YPMHNXCESA-N 1 2 273.336 2.082 10 0 CEAELO C[C@H](CNC(=O)C[C@H]1CCCCC1(C)C)[NH+]1CCOCC1 ZINC000156980286 289205598 /nfs/dbraw/zinc/20/55/98/289205598.db2.gz HTUBTNKWOUXGMK-HUUCEWRRSA-N 1 2 296.455 2.430 10 0 CEAELO CCCNc1snnc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000050816072 520204302 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CCOC(=O)[C@H](CCO[C@@H]1CCCC[C@@H]1C)[NH2+]C ZINC000062543858 521247794 /nfs/dbraw/zinc/24/77/94/521247794.db2.gz VGDPHYUKEKTKNJ-RWMBFGLXSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@H](CCn1cnc2ccccc21)[NH2+]C1CC1 ZINC000062535429 521250184 /nfs/dbraw/zinc/25/01/84/521250184.db2.gz RWLABLVYUHKFBX-AWEZNQCLSA-N 1 2 287.363 2.110 10 0 CEAELO CCOC(=O)[C@](COC1CCC1)([NH2+]C1CC1)C1CC1 ZINC000069198347 521340008 /nfs/dbraw/zinc/34/00/08/521340008.db2.gz UISHFBOJSRFXHG-OAHLLOKOSA-N 1 2 267.369 2.019 10 0 CEAELO CCOC(=O)[C@](CS[C@H](C)CC)([NH2+]C)C1CC1 ZINC000069185192 521343663 /nfs/dbraw/zinc/34/36/63/521343663.db2.gz YGFQWPVCGYEMQO-ZWNOBZJWSA-N 1 2 259.415 2.449 10 0 CEAELO CCCc1[nH+]c(-c2ccc(F)cc2F)c(N)n1N ZINC000052839384 521465777 /nfs/dbraw/zinc/46/57/77/521465777.db2.gz DXEBTPMUCXRDDH-UHFFFAOYSA-N 1 2 252.268 2.077 10 0 CEAELO CNC(=O)c1ccc(Cl)c(NCc2[nH]c[nH+]c2C)c1 ZINC000054795588 521827043 /nfs/dbraw/zinc/82/70/43/521827043.db2.gz CXFPHIWDOKMVMV-UHFFFAOYSA-N 1 2 278.743 2.343 10 0 CEAELO C[NH2+][C@@](CSc1cccc(OC)c1)(C(=O)OC)C1CC1 ZINC000069186396 522432316 /nfs/dbraw/zinc/43/23/16/522432316.db2.gz JFPKNQGMIQJHHR-OAHLLOKOSA-N 1 2 295.404 2.329 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)Oc1ccc(F)cc1F)C(=O)OC ZINC000068654848 522522198 /nfs/dbraw/zinc/52/21/98/522522198.db2.gz KZIVUKCNJCIFFI-LKFCYVNXSA-N 1 2 287.306 2.273 10 0 CEAELO CNc1ccc(CN2c3ccccc3O[C@@H](C)C2=O)c[nH+]1 ZINC000050829415 522609468 /nfs/dbraw/zinc/60/94/68/522609468.db2.gz JTEGZPOBUSQPPX-NSHDSACASA-N 1 2 283.331 2.437 10 0 CEAELO C[N@H+](Cc1cc(C(=O)[O-])ccc1F)C1CC[NH+](C)CC1 ZINC000062756543 523167965 /nfs/dbraw/zinc/16/79/65/523167965.db2.gz XNUVKLSLGXWEQO-UHFFFAOYSA-N 1 2 280.343 2.050 10 0 CEAELO C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)C1CC[NH+](C)CC1 ZINC000062756543 523167972 /nfs/dbraw/zinc/16/79/72/523167972.db2.gz XNUVKLSLGXWEQO-UHFFFAOYSA-N 1 2 280.343 2.050 10 0 CEAELO CCn1ccnc1C[N@@H+]1CCc2c(N)cccc2C1 ZINC000054743824 523536219 /nfs/dbraw/zinc/53/62/19/523536219.db2.gz YRAKTUSBMWTNJV-UHFFFAOYSA-N 1 2 256.353 2.044 10 0 CEAELO CCn1ccnc1C[N@H+]1CCc2c(N)cccc2C1 ZINC000054743824 523536228 /nfs/dbraw/zinc/53/62/28/523536228.db2.gz YRAKTUSBMWTNJV-UHFFFAOYSA-N 1 2 256.353 2.044 10 0 CEAELO CCn1ccnc1[C@H]([NH3+])c1ccc2ccccc2n1 ZINC000069498891 523559849 /nfs/dbraw/zinc/55/98/49/523559849.db2.gz ZBSMNYYMVJCUBL-CQSZACIVSA-N 1 2 252.321 2.499 10 0 CEAELO COC(=O)[C@@](C)(C[C@@H](C)N(C)CC(F)(F)F)[NH2+]C(C)C ZINC000068627541 523814256 /nfs/dbraw/zinc/81/42/56/523814256.db2.gz ULGZXRIAVBUDQM-ZYHUDNBSSA-N 1 2 298.349 2.189 10 0 CEAELO COC(=O)[C@@](COc1ccc(C)cc1)([NH2+]C1CC1)C1CC1 ZINC000069196081 523823380 /nfs/dbraw/zinc/82/33/80/523823380.db2.gz MOKWSNSKBFKODW-KRWDZBQOSA-N 1 2 289.375 2.448 10 0 CEAELO COc1ccc(CCC(=O)Nc2cc[nH+]cc2N)cc1 ZINC000062725767 523927972 /nfs/dbraw/zinc/92/79/72/523927972.db2.gz LGPRVKBAZKOGRX-UHFFFAOYSA-N 1 2 271.320 2.244 10 0 CEAELO COC(=O)[C@](C)(C[C@H](C)n1nc(C)c(C)c1C)[NH2+]C1CC1 ZINC000068649137 524001273 /nfs/dbraw/zinc/00/12/73/524001273.db2.gz 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295.423 2.467 10 0 CEAELO COc1ccc(OC)c(C(=O)C[NH+]2CCCCC2)c1 ZINC000041356358 362031344 /nfs/dbraw/zinc/03/13/44/362031344.db2.gz VLXGRAUTRBPOGS-UHFFFAOYSA-N 1 2 263.337 2.372 10 0 CEAELO Cc1nc([C@@H]([NH3+])c2ccccc2C(F)(F)F)no1 ZINC000036762467 343424498 /nfs/dbraw/zinc/42/44/98/343424498.db2.gz HLLAUTRPNZWRBF-VIFPVBQESA-N 1 2 257.215 2.445 10 0 CEAELO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052856236 343566742 /nfs/dbraw/zinc/56/67/42/343566742.db2.gz FZNTUSHGGUXLSX-KFWWJZLASA-N 1 2 294.439 2.491 10 0 CEAELO OCC[C@@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000227576298 344554676 /nfs/dbraw/zinc/55/46/76/344554676.db2.gz NRDXMBXVQCNLSM-JTQLQIEISA-N 1 2 279.365 2.002 10 0 CEAELO OCC[C@@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000227576298 344554679 /nfs/dbraw/zinc/55/46/79/344554679.db2.gz NRDXMBXVQCNLSM-JTQLQIEISA-N 1 2 279.365 2.002 10 0 CEAELO CNc1c(N)c[nH+]c2c(OC)ccc(Br)c12 ZINC000584882881 344996883 /nfs/dbraw/zinc/99/68/83/344996883.db2.gz 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/nfs/dbraw/zinc/65/90/65/185659065.db2.gz JOKJHHJZPUAIEQ-ZDUSSCGKSA-N 1 2 262.332 2.293 10 0 CEAELO [NH3+][C@]1(c2nc(C34CC5CC(CC(C5)C3)C4)no2)CCOC1 ZINC000085852151 179188981 /nfs/dbraw/zinc/18/89/81/179188981.db2.gz MRBUDISQUDZFRX-MZUCJFPPSA-N 1 2 289.379 2.112 10 0 CEAELO C[C@@H](O)c1[nH+]c2cc(N)ccc2n1C[C@@H]1CCCC[C@@H]1O ZINC000086017952 179217081 /nfs/dbraw/zinc/21/70/81/179217081.db2.gz POAIBPHHUXYAKG-ZETOZRRWSA-N 1 2 289.379 2.223 10 0 CEAELO Cc1cc2[nH]c([C@@H]3CCS(=O)(=O)C3)[nH+]c2cc1C ZINC000086027436 179220050 /nfs/dbraw/zinc/22/00/50/179220050.db2.gz IGAJIRFPPVZSBA-SNVBAGLBSA-N 1 2 264.350 2.082 10 0 CEAELO Cc1cc([NH+](C)C)ccc1N[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000086672510 179317639 /nfs/dbraw/zinc/31/76/39/179317639.db2.gz NPDOPLAPOWNYKL-LSDHHAIUSA-N 1 2 296.436 2.439 10 0 CEAELO C[C@@H](c1ccco1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776205 179327999 /nfs/dbraw/zinc/32/79/99/179327999.db2.gz ARTYJXUZXGZWQP-GXTWGEPZSA-N 1 2 292.379 2.354 10 0 CEAELO C[C@@H](c1ccco1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776205 179328001 /nfs/dbraw/zinc/32/80/01/179328001.db2.gz ARTYJXUZXGZWQP-GXTWGEPZSA-N 1 2 292.379 2.354 10 0 CEAELO Cc1sc2nc([C@H]3CCCOC3)[nH+]c(NN)c2c1C ZINC000087815416 179491191 /nfs/dbraw/zinc/49/11/91/179491191.db2.gz OBDHKMLCXUYIDO-VIFPVBQESA-N 1 2 278.381 2.488 10 0 CEAELO CC(=O)N1C[C@H](c2cccc(N)[nH+]2)Cc2ccccc21 ZINC000616674418 348556714 /nfs/dbraw/zinc/55/67/14/348556714.db2.gz TUAMWHJGOAVUBH-CYBMUJFWSA-N 1 2 267.332 2.357 10 0 CEAELO COC(=O)N1CCc2ccccc2[C@H]1c1c[nH+]c[nH]1 ZINC000616679188 348557900 /nfs/dbraw/zinc/55/79/00/348557900.db2.gz LVKYTXQZSJYYKX-ZDUSSCGKSA-N 1 2 257.293 2.124 10 0 CEAELO COC(=O)N1CCc2ccccc2[C@H]1c1c[nH]c[nH+]1 ZINC000616679188 348557904 /nfs/dbraw/zinc/55/79/04/348557904.db2.gz LVKYTXQZSJYYKX-ZDUSSCGKSA-N 1 2 257.293 2.124 10 0 CEAELO CCN1C[C@H](c2cc[nH+]c(N)c2)Nc2ccccc21 ZINC000616681944 348558922 /nfs/dbraw/zinc/55/89/22/348558922.db2.gz AVCMRUVSNVXJIV-CYBMUJFWSA-N 1 2 254.337 2.487 10 0 CEAELO O=S1(=O)C=C[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000088854844 179684029 /nfs/dbraw/zinc/68/40/29/179684029.db2.gz DBGOSKBFBCMUEU-SKDRFNHKSA-N 1 2 299.392 2.263 10 0 CEAELO O=[S@]1CCC[NH2+][C@H](c2nc3ccccc3s2)C1 ZINC000090344246 179969533 /nfs/dbraw/zinc/96/95/33/179969533.db2.gz FSLCHBMDASLVOP-DYZYQPBXSA-N 1 2 266.391 2.079 10 0 CEAELO CCOC(=O)[C@](C)(CO[C@@H](C)C(F)(F)F)[NH2+]C(C)C ZINC000090674541 180021716 /nfs/dbraw/zinc/02/17/16/180021716.db2.gz AQKOYEHTJYCTHE-ONGXEEELSA-N 1 2 285.306 2.274 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)O[C@@H](C)C(F)(F)F)C(=O)OC ZINC000090674207 180021759 /nfs/dbraw/zinc/02/17/59/180021759.db2.gz OUZUZLDDIBDGFZ-ATZCPNFKSA-N 1 2 285.306 2.274 10 0 CEAELO COC(=O)c1cc(N[C@@H](C)c2ccncc2)cc[nH+]1 ZINC000090737157 180034320 /nfs/dbraw/zinc/03/43/20/180034320.db2.gz IRLIQXZWPSTMFL-JTQLQIEISA-N 1 2 257.293 2.436 10 0 CEAELO COc1cccc(N[C@@H](C(N)=O)c2c[nH+]cn2C(C)C)c1 ZINC000091272590 180118271 /nfs/dbraw/zinc/11/82/71/180118271.db2.gz VKPNGKJBRDJJLC-CQSZACIVSA-N 1 2 288.351 2.111 10 0 CEAELO CCc1cc(N2Cc3ccc(N)cc3C2)nc(C)[nH+]1 ZINC000091500867 180174540 /nfs/dbraw/zinc/17/45/40/180174540.db2.gz NHQLUPSIDZMNKO-UHFFFAOYSA-N 1 2 254.337 2.450 10 0 CEAELO COC(=O)[C@H](Nc1cc(C)cc(F)c1)c1c[nH+]cn1C ZINC000091515092 180177131 /nfs/dbraw/zinc/17/71/31/180177131.db2.gz ITVLEPKAUXSGLF-CYBMUJFWSA-N 1 2 277.299 2.194 10 0 CEAELO Cc1cc(Cl)ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105280947 186049909 /nfs/dbraw/zinc/04/99/09/186049909.db2.gz ISIHELDHYLNBIH-GFCCVEGCSA-N 1 2 297.786 2.101 10 0 CEAELO Cc1cc(Cl)ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105280947 186049910 /nfs/dbraw/zinc/04/99/10/186049910.db2.gz ISIHELDHYLNBIH-GFCCVEGCSA-N 1 2 297.786 2.101 10 0 CEAELO Cc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(Cl)c1C ZINC000091687528 180225934 /nfs/dbraw/zinc/22/59/34/180225934.db2.gz GLZJHLBUCWVPEF-MNOVXSKESA-N 1 2 267.760 2.283 10 0 CEAELO Cc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc(Cl)c1C ZINC000091687528 180225938 /nfs/dbraw/zinc/22/59/38/180225938.db2.gz GLZJHLBUCWVPEF-MNOVXSKESA-N 1 2 267.760 2.283 10 0 CEAELO CCc1cc(Cl)nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091687515 180226597 /nfs/dbraw/zinc/22/65/97/180226597.db2.gz POIIBUFBFMNGOQ-GHMZBOCLSA-N 1 2 267.760 2.228 10 0 CEAELO CCc1cc(Cl)nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000091687515 180226600 /nfs/dbraw/zinc/22/66/00/180226600.db2.gz POIIBUFBFMNGOQ-GHMZBOCLSA-N 1 2 267.760 2.228 10 0 CEAELO CCCNc1nc([C@H]2C[N@H+](C)CCO2)nc(C)c1CC ZINC000091722752 180241737 /nfs/dbraw/zinc/24/17/37/180241737.db2.gz NTMFEUAVVLVODY-CYBMUJFWSA-N 1 2 278.400 2.172 10 0 CEAELO CCCNc1nc([C@H]2C[N@@H+](C)CCO2)nc(C)c1CC ZINC000091722752 180241739 /nfs/dbraw/zinc/24/17/39/180241739.db2.gz NTMFEUAVVLVODY-CYBMUJFWSA-N 1 2 278.400 2.172 10 0 CEAELO Cc1n[nH]cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000092095125 180324141 /nfs/dbraw/zinc/32/41/41/180324141.db2.gz CHOIAHZXSDALII-IUODEOHRSA-N 1 2 293.317 2.304 10 0 CEAELO Cc1n[nH]cc1C[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000092095125 180324142 /nfs/dbraw/zinc/32/41/42/180324142.db2.gz CHOIAHZXSDALII-IUODEOHRSA-N 1 2 293.317 2.304 10 0 CEAELO CC(C)OC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000105938878 186093176 /nfs/dbraw/zinc/09/31/76/186093176.db2.gz YALITDVRYGQHSB-VIFPVBQESA-N 1 2 253.264 2.212 10 0 CEAELO CC(C)OC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000105938878 186093178 /nfs/dbraw/zinc/09/31/78/186093178.db2.gz YALITDVRYGQHSB-VIFPVBQESA-N 1 2 253.264 2.212 10 0 CEAELO CCNc1cccc(CSCCC(=O)OC)[nH+]1 ZINC000092383012 180373065 /nfs/dbraw/zinc/37/30/65/180373065.db2.gz OOSODZADNFKYRX-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO C[NH+](C)c1ccc(-n2c(N)nc3cnccc32)cc1 ZINC000092513738 180399850 /nfs/dbraw/zinc/39/98/50/180399850.db2.gz QQYKHCZNIAINKU-UHFFFAOYSA-N 1 2 253.309 2.069 10 0 CEAELO C[NH+](C)CCCNc1cc(C(=O)[O-])[nH+]c2ccccc12 ZINC000109587054 186263380 /nfs/dbraw/zinc/26/33/80/186263380.db2.gz ABCMROZGMAXYAX-UHFFFAOYSA-N 1 2 273.336 2.297 10 0 CEAELO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c(N)cccc1F ZINC000109427194 186251636 /nfs/dbraw/zinc/25/16/36/186251636.db2.gz MXDOXNLFMICMFQ-WDEREUQCSA-N 1 2 252.333 2.407 10 0 CEAELO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1c(N)cccc1F ZINC000109427194 186251638 /nfs/dbraw/zinc/25/16/38/186251638.db2.gz MXDOXNLFMICMFQ-WDEREUQCSA-N 1 2 252.333 2.407 10 0 CEAELO C[C@H](Nc1cc(N)[nH+]c(N)n1)c1cccc(Cl)c1 ZINC000110389671 186294882 /nfs/dbraw/zinc/29/48/82/186294882.db2.gz FVIGBTBTVZQJKC-ZETCQYMHSA-N 1 2 263.732 2.468 10 0 CEAELO C[C@H](Nc1cc(N)nc(N)[nH+]1)c1cccc(Cl)c1 ZINC000110389671 186294884 /nfs/dbraw/zinc/29/48/84/186294884.db2.gz FVIGBTBTVZQJKC-ZETCQYMHSA-N 1 2 263.732 2.468 10 0 CEAELO CC[C@H](C)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000110942663 186334395 /nfs/dbraw/zinc/33/43/95/186334395.db2.gz IRZPJZNUJIQQFW-NSHDSACASA-N 1 2 281.425 2.142 10 0 CEAELO CCc1nc(N2CC[N@H+](C)C(C)(C)C2)sc1C=O ZINC000110759639 186321600 /nfs/dbraw/zinc/32/16/00/186321600.db2.gz UFHUWTDPSOECDJ-UHFFFAOYSA-N 1 2 267.398 2.048 10 0 CEAELO CCc1nc(N2CC[N@@H+](C)C(C)(C)C2)sc1C=O ZINC000110759639 186321602 /nfs/dbraw/zinc/32/16/02/186321602.db2.gz UFHUWTDPSOECDJ-UHFFFAOYSA-N 1 2 267.398 2.048 10 0 CEAELO CCOc1cc(N2CCCO[C@H](C)C2)ccc1[NH3+] ZINC000111055908 186349450 /nfs/dbraw/zinc/34/94/50/186349450.db2.gz YXBOEBVLRBTGQN-LLVKDONJSA-N 1 2 250.342 2.283 10 0 CEAELO CCCc1nc([C@H]([NH3+])c2cccc(F)c2F)no1 ZINC000111041030 186346981 /nfs/dbraw/zinc/34/69/81/186346981.db2.gz PBGVNJLQPUGENI-LLVKDONJSA-N 1 2 253.252 2.348 10 0 CEAELO CCOc1cc(N[C@@H](C(=O)OC)C(C)C)ccc1[NH3+] ZINC000111054106 186348115 /nfs/dbraw/zinc/34/81/15/186348115.db2.gz MYXRWOYBBXINLG-CYBMUJFWSA-N 1 2 266.341 2.277 10 0 CEAELO COc1cc([N@H+](C)CC2CCOCC2)ccc1N ZINC000111158985 186363148 /nfs/dbraw/zinc/36/31/48/186363148.db2.gz OOBJIBWVPOUZSX-UHFFFAOYSA-N 1 2 250.342 2.140 10 0 CEAELO COc1cc([N@@H+](C)CC2CCOCC2)ccc1N ZINC000111158985 186363149 /nfs/dbraw/zinc/36/31/49/186363149.db2.gz OOBJIBWVPOUZSX-UHFFFAOYSA-N 1 2 250.342 2.140 10 0 CEAELO CCc1nc2n(n1)C[C@H](Nc1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC000116261550 186702260 /nfs/dbraw/zinc/70/22/60/186702260.db2.gz STDAQIWIIUQQGX-GFCCVEGCSA-N 1 2 298.394 2.243 10 0 CEAELO O=C(C[N@H+]1CCC[C@@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000070459811 363086858 /nfs/dbraw/zinc/08/68/58/363086858.db2.gz IOISKGKVKCIOIA-GFCCVEGCSA-N 1 2 287.281 2.345 10 0 CEAELO O=C(C[N@@H+]1CCC[C@@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000070459811 363086859 /nfs/dbraw/zinc/08/68/59/363086859.db2.gz IOISKGKVKCIOIA-GFCCVEGCSA-N 1 2 287.281 2.345 10 0 CEAELO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000156565316 188269434 /nfs/dbraw/zinc/26/94/34/188269434.db2.gz GPOJAYDYTRLVPG-CQSZACIVSA-N 1 2 288.399 2.067 10 0 CEAELO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000156565316 188269435 /nfs/dbraw/zinc/26/94/35/188269435.db2.gz GPOJAYDYTRLVPG-CQSZACIVSA-N 1 2 288.399 2.067 10 0 CEAELO CCC[C@H](NCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000156595416 188270970 /nfs/dbraw/zinc/27/09/70/188270970.db2.gz HZGZLHNMGGOQDM-LBPRGKRZSA-N 1 2 267.373 2.020 10 0 CEAELO C[C@H]1C[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000170812222 188694155 /nfs/dbraw/zinc/69/41/55/188694155.db2.gz GGBZVOFUSRBMKW-WCQYABFASA-N 1 2 270.336 2.080 10 0 CEAELO O=C(OCc1ccccc1)N1CCc2[nH]c[nH+]c2C1 ZINC000074785623 363391777 /nfs/dbraw/zinc/39/17/77/363391777.db2.gz OVJSTDBKVYVLOD-UHFFFAOYSA-N 1 2 257.293 2.105 10 0 CEAELO O=C(OCc1ccccc1)N1CCc2[nH+]c[nH]c2C1 ZINC000074785623 363391781 /nfs/dbraw/zinc/39/17/81/363391781.db2.gz OVJSTDBKVYVLOD-UHFFFAOYSA-N 1 2 257.293 2.105 10 0 CEAELO Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1C[C@@H]1C ZINC000075978239 363503816 /nfs/dbraw/zinc/50/38/16/363503816.db2.gz OHYJBGIHAXKQGX-FZMZJTMJSA-N 1 2 286.379 2.442 10 0 CEAELO Cc1cnn(C)c1C[NH2+][C@H](C)c1csc(C)n1 ZINC000352749026 219608071 /nfs/dbraw/zinc/60/80/71/219608071.db2.gz KWCYJWYMMOPUFD-SECBINFHSA-N 1 2 250.371 2.344 10 0 CEAELO CCn1cnnc1[C@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC000328656403 538852154 /nfs/dbraw/zinc/85/21/54/538852154.db2.gz ZHRXZKQBHIARKC-YXMGTMDOSA-N 1 2 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CC(C)(C)CCNC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482619 364947849 /nfs/dbraw/zinc/94/78/49/364947849.db2.gz SSZIMMXVOYARMM-CQSZACIVSA-N 1 2 292.427 2.489 10 0 CEAELO CCCCc1nc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)no1 ZINC000116315238 365049844 /nfs/dbraw/zinc/04/98/44/365049844.db2.gz JCDURKHLEGIKQE-LBPRGKRZSA-N 1 2 289.383 2.135 10 0 CEAELO CCCCc1nc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)no1 ZINC000116315238 365049847 /nfs/dbraw/zinc/04/98/47/365049847.db2.gz JCDURKHLEGIKQE-LBPRGKRZSA-N 1 2 289.383 2.135 10 0 CEAELO O=C(NCCCn1cc[nH+]c1)N1CCC[C@H]1c1ccco1 ZINC000116517926 365060543 /nfs/dbraw/zinc/06/05/43/365060543.db2.gz GDSAATNLVVTZJZ-ZDUSSCGKSA-N 1 2 288.351 2.413 10 0 CEAELO C[C@H]1SCC[N@H+](Cc2nnc(C3CC3)n2C)[C@@H]1C ZINC000118415005 365156985 /nfs/dbraw/zinc/15/69/85/365156985.db2.gz IILHWOSRNAPKKD-NXEZZACHSA-N 1 2 266.414 2.018 10 0 CEAELO C[C@H]1SCC[N@@H+](Cc2nnc(C3CC3)n2C)[C@@H]1C ZINC000118415005 365156990 /nfs/dbraw/zinc/15/69/90/365156990.db2.gz IILHWOSRNAPKKD-NXEZZACHSA-N 1 2 266.414 2.018 10 0 CEAELO Cn1cc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)cn1 ZINC000275423555 193030075 /nfs/dbraw/zinc/03/00/75/193030075.db2.gz DTIJPPLIICWBQC-HNNXBMFYSA-N 1 2 285.395 2.359 10 0 CEAELO CN(C)c1nc(N(C)C)c(NC(=O)C2CCCCC2)c[nH+]1 ZINC000224347903 189741758 /nfs/dbraw/zinc/74/17/58/189741758.db2.gz CONIRZSJLZYMEM-UHFFFAOYSA-N 1 2 291.399 2.127 10 0 CEAELO COc1ccccc1[C@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000164698344 367294020 /nfs/dbraw/zinc/29/40/20/367294020.db2.gz XSLODUNKSNKWKX-AAEUAGOBSA-N 1 2 272.352 2.472 10 0 CEAELO COC(=O)[C@H]1CCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000172154081 367685021 /nfs/dbraw/zinc/68/50/21/367685021.db2.gz GLFMGUWLOSCXNI-OAHLLOKOSA-N 1 2 285.347 2.076 10 0 CEAELO COC(=O)[C@H]1CCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000172154081 367685024 /nfs/dbraw/zinc/68/50/24/367685024.db2.gz GLFMGUWLOSCXNI-OAHLLOKOSA-N 1 2 285.347 2.076 10 0 CEAELO C[C@H](NC(=O)[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173911082 367958123 /nfs/dbraw/zinc/95/81/23/367958123.db2.gz YELPXVVANRYUNG-SWLSCSKDSA-N 1 2 285.347 2.229 10 0 CEAELO C[C@@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC(C)(C)C1 ZINC000183603867 368635026 /nfs/dbraw/zinc/63/50/26/368635026.db2.gz OEFQGIGIWVAXSQ-HUUCEWRRSA-N 1 2 296.455 2.239 10 0 CEAELO C[C@H](Nc1cc(N2CCC[C@H]2CO)nc[nH+]1)c1ccccn1 ZINC000246043990 370902623 /nfs/dbraw/zinc/90/26/23/370902623.db2.gz SOUFNSPASAHTNT-STQMWFEESA-N 1 2 299.378 2.006 10 0 CEAELO C[C@H](Nc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccccn1 ZINC000246043990 370902627 /nfs/dbraw/zinc/90/26/27/370902627.db2.gz SOUFNSPASAHTNT-STQMWFEESA-N 1 2 299.378 2.006 10 0 CEAELO CCc1nnc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)n1C ZINC000186598948 369004140 /nfs/dbraw/zinc/00/41/40/369004140.db2.gz GVLQWDTYRIIGPM-KRWDZBQOSA-N 1 2 298.390 2.009 10 0 CEAELO CCc1nnc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)n1C ZINC000186598948 369004143 /nfs/dbraw/zinc/00/41/43/369004143.db2.gz GVLQWDTYRIIGPM-KRWDZBQOSA-N 1 2 298.390 2.009 10 0 CEAELO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000186846601 369056949 /nfs/dbraw/zinc/05/69/49/369056949.db2.gz OJRIHOJRNXKPPN-LLVKDONJSA-N 1 2 298.333 2.227 10 0 CEAELO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000186846601 369056953 /nfs/dbraw/zinc/05/69/53/369056953.db2.gz OJRIHOJRNXKPPN-LLVKDONJSA-N 1 2 298.333 2.227 10 0 CEAELO C[C@H](c1ccc(F)cc1)[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191736252 369737337 /nfs/dbraw/zinc/73/73/37/369737337.db2.gz BTPCNGJWWBXPDD-GFCCVEGCSA-N 1 2 294.370 2.368 10 0 CEAELO C[C@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000191736252 369737341 /nfs/dbraw/zinc/73/73/41/369737341.db2.gz BTPCNGJWWBXPDD-GFCCVEGCSA-N 1 2 294.370 2.368 10 0 CEAELO CCn1c(C)nnc1C[N@H+](C)CCOc1ccc(C)cc1 ZINC000195038803 370098533 /nfs/dbraw/zinc/09/85/33/370098533.db2.gz VZDRDQMJIWKSPA-UHFFFAOYSA-N 1 2 288.395 2.426 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](C)CCOc1ccc(C)cc1 ZINC000195038803 370098542 /nfs/dbraw/zinc/09/85/42/370098542.db2.gz VZDRDQMJIWKSPA-UHFFFAOYSA-N 1 2 288.395 2.426 10 0 CEAELO CCCCC(=O)Nc1c[nH+]c(N2CCCC2)nc1N(C)C ZINC000224350421 370278812 /nfs/dbraw/zinc/27/88/12/370278812.db2.gz RRJHLGLDEYQAOX-UHFFFAOYSA-N 1 2 291.399 2.272 10 0 CEAELO C[C@@H](c1cccc(F)c1)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247155080 371070766 /nfs/dbraw/zinc/07/07/66/371070766.db2.gz LYNLSBYJBJRAES-XJKSGUPXSA-N 1 2 289.354 2.484 10 0 CEAELO C[C@@H](c1cccc(F)c1)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247155080 371070770 /nfs/dbraw/zinc/07/07/70/371070770.db2.gz LYNLSBYJBJRAES-XJKSGUPXSA-N 1 2 289.354 2.484 10 0 CEAELO c1csc([C@@H]2C[N@H+](C[C@H]3CCCCO3)CCO2)n1 ZINC000249902390 371370414 /nfs/dbraw/zinc/37/04/14/371370414.db2.gz UBZURCRTYCUIEA-NEPJUHHUSA-N 1 2 268.382 2.086 10 0 CEAELO c1csc([C@@H]2C[N@@H+](C[C@H]3CCCCO3)CCO2)n1 ZINC000249902390 371370419 /nfs/dbraw/zinc/37/04/19/371370419.db2.gz UBZURCRTYCUIEA-NEPJUHHUSA-N 1 2 268.382 2.086 10 0 CEAELO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C[C@H]2C)c(Cl)c1 ZINC000639940085 371689152 /nfs/dbraw/zinc/68/91/52/371689152.db2.gz XKEHANXEDQCDAN-VXGBXAGGSA-N 1 2 296.798 2.432 10 0 CEAELO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C[C@H]2C)c(Cl)c1 ZINC000639940085 371689154 /nfs/dbraw/zinc/68/91/54/371689154.db2.gz XKEHANXEDQCDAN-VXGBXAGGSA-N 1 2 296.798 2.432 10 0 CEAELO O=C(N[C@H]1CCc2ccccc21)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332898713 377720013 /nfs/dbraw/zinc/72/00/13/377720013.db2.gz SUWUELMWUXEEIN-JSGCOSHPSA-N 1 2 296.374 2.254 10 0 CEAELO O=C(N[C@H]1CCc2ccccc21)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332898713 377720023 /nfs/dbraw/zinc/72/00/23/377720023.db2.gz SUWUELMWUXEEIN-JSGCOSHPSA-N 1 2 296.374 2.254 10 0 CEAELO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCc1cc[nH]n1 ZINC000302793164 379453409 /nfs/dbraw/zinc/45/34/09/379453409.db2.gz ZODOJQBCULNLMQ-UHFFFAOYSA-N 1 2 299.382 2.349 10 0 CEAELO C[C@H]1C[C@H](O)C[N@H+](Cc2cncc(Br)c2)C1 ZINC000334745767 207007101 /nfs/dbraw/zinc/00/71/01/207007101.db2.gz KXJWNVUCDIPJTF-CABZTGNLSA-N 1 2 285.185 2.047 10 0 CEAELO C[C@H]1C[C@H](O)C[N@@H+](Cc2cncc(Br)c2)C1 ZINC000334745767 207007104 /nfs/dbraw/zinc/00/71/04/207007104.db2.gz 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394517990 /nfs/dbraw/zinc/51/79/90/394517990.db2.gz UCWQXVFXCCHQGS-ZBFHGGJFSA-N 1 2 272.392 2.314 10 0 CEAELO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1[C@H]1CCCC1=O ZINC000306789649 394517993 /nfs/dbraw/zinc/51/79/93/394517993.db2.gz UCWQXVFXCCHQGS-ZBFHGGJFSA-N 1 2 272.392 2.314 10 0 CEAELO C[C@H]1C[NH+](CC(=O)N(C)CC2CCCCC2)C[C@H](C)O1 ZINC000076411989 394616966 /nfs/dbraw/zinc/61/69/66/394616966.db2.gz WVUAKDHMVOVLFH-KBPBESRZSA-N 1 2 282.428 2.134 10 0 CEAELO CCn1cc[nH+]c1C[S@@](=O)Cc1noc2c1CCCC2 ZINC000176840717 395142045 /nfs/dbraw/zinc/14/20/45/395142045.db2.gz HLWTULCXJOQEQM-FQEVSTJZSA-N 1 2 293.392 2.219 10 0 CEAELO CCc1nnc(C[N@H+](C)Cc2ccc(OC)cc2)n1C ZINC000195014573 395455905 /nfs/dbraw/zinc/45/59/05/395455905.db2.gz UNLIJBWTVQLNFD-UHFFFAOYSA-N 1 2 274.368 2.018 10 0 CEAELO CCc1nnc(C[N@@H+](C)Cc2ccc(OC)cc2)n1C ZINC000195014573 395455907 /nfs/dbraw/zinc/45/59/07/395455907.db2.gz UNLIJBWTVQLNFD-UHFFFAOYSA-N 1 2 274.368 2.018 10 0 CEAELO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ncnn2CC)C12CCCC2 ZINC000193430803 153229504 /nfs/dbraw/zinc/22/95/04/153229504.db2.gz ZXYRGBLDKLYAGP-KGLIPLIRSA-N 1 2 292.427 2.468 10 0 CEAELO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ncnn2CC)C12CCCC2 ZINC000193430803 153229506 /nfs/dbraw/zinc/22/95/06/153229506.db2.gz ZXYRGBLDKLYAGP-KGLIPLIRSA-N 1 2 292.427 2.468 10 0 CEAELO CCCCC1CCC(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000194637955 153259869 /nfs/dbraw/zinc/25/98/69/153259869.db2.gz SWRJORMLUCWVKC-UYSNPLJNSA-N 1 2 296.455 2.430 10 0 CEAELO CCCCC1CCC(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000194637955 153259871 /nfs/dbraw/zinc/25/98/71/153259871.db2.gz SWRJORMLUCWVKC-UYSNPLJNSA-N 1 2 296.455 2.430 10 0 CEAELO O=C1CCCN1CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195359810 153288744 /nfs/dbraw/zinc/28/87/44/153288744.db2.gz ILVPBRAWWISRMK-GFCCVEGCSA-N 1 2 279.409 2.293 10 0 CEAELO O=C1CCCN1CC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195359810 153288748 /nfs/dbraw/zinc/28/87/48/153288748.db2.gz ILVPBRAWWISRMK-GFCCVEGCSA-N 1 2 279.409 2.293 10 0 CEAELO Cc1csc([C@H]2C[N@H+](CCOC(C)C)CCO2)n1 ZINC000195389993 153289549 /nfs/dbraw/zinc/28/95/49/153289549.db2.gz UKPAZHQEXQZXKK-GFCCVEGCSA-N 1 2 270.398 2.250 10 0 CEAELO Cc1csc([C@H]2C[N@@H+](CCOC(C)C)CCO2)n1 ZINC000195389993 153289553 /nfs/dbraw/zinc/28/95/53/153289553.db2.gz UKPAZHQEXQZXKK-GFCCVEGCSA-N 1 2 270.398 2.250 10 0 CEAELO CC(C)n1cc[nH+]c1CN1CCO[C@H](c2nccs2)C1 ZINC000195521944 153291156 /nfs/dbraw/zinc/29/11/56/153291156.db2.gz AMJBBPLZYUHAPS-LBPRGKRZSA-N 1 2 292.408 2.494 10 0 CEAELO CCn1cc[nH+]c1CSc1nnc2nc(C)cc(C)n21 ZINC000195516886 153294347 /nfs/dbraw/zinc/29/43/47/153294347.db2.gz AHIPOWLYNWTZSU-UHFFFAOYSA-N 1 2 288.380 2.250 10 0 CEAELO C[C@@H]1CCC[C@H](CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263300633 154051389 /nfs/dbraw/zinc/05/13/89/154051389.db2.gz WZAYJEYLBADZHP-UTUOFQBUSA-N 1 2 274.355 2.316 10 0 CEAELO CNC(=O)[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000161692579 162329784 /nfs/dbraw/zinc/32/97/84/162329784.db2.gz BZQXQIDVKRGIDA-VXGBXAGGSA-N 1 2 290.411 2.491 10 0 CEAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ncc(Cl)n3C)C2)c1 ZINC000171621515 165049535 /nfs/dbraw/zinc/04/95/35/165049535.db2.gz OESZVVPCEAHPLI-GFCCVEGCSA-N 1 2 293.802 2.416 10 0 CEAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3ncc(Cl)n3C)C2)c1 ZINC000171621515 165049541 /nfs/dbraw/zinc/04/95/41/165049541.db2.gz OESZVVPCEAHPLI-GFCCVEGCSA-N 1 2 293.802 2.416 10 0 CEAELO CCCCC[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173768352 165084372 /nfs/dbraw/zinc/08/43/72/165084372.db2.gz CLCBHZXZESJEJX-HUUCEWRRSA-N 1 2 297.443 2.071 10 0 CEAELO CC(C)CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175449261 165138842 /nfs/dbraw/zinc/13/88/42/165138842.db2.gz LSADNSUULGMXEU-HUUCEWRRSA-N 1 2 296.455 2.238 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1C[C@@H]1C1CC1)C2 ZINC000176065594 165155531 /nfs/dbraw/zinc/15/55/31/165155531.db2.gz QAVNVKUJFPBMHW-OLZOCXBDSA-N 1 2 287.407 2.474 10 0 CEAELO O=C(CC1CCCCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000177329541 165195069 /nfs/dbraw/zinc/19/50/69/165195069.db2.gz ASWXRSPYQFJDHN-MRXNPFEDSA-N 1 2 294.439 2.280 10 0 CEAELO O=c1nc(C[NH2+]C2CCCCC2)[nH]c2ccsc21 ZINC000036922826 172806112 /nfs/dbraw/zinc/80/61/12/172806112.db2.gz KDJUGFKCXNSTIS-UHFFFAOYSA-N 1 2 263.366 2.407 10 0 CEAELO C[C@@H]([NH2+][C@H]1CSCc2ccccc21)c1nncn1C ZINC000037293921 173098286 /nfs/dbraw/zinc/09/82/86/173098286.db2.gz UKCAGPJMWSUSOG-MFKMUULPSA-N 1 2 274.393 2.454 10 0 CEAELO CCC[NH2+][C@@](C)(C(=O)OC)c1ccc(OC)cc1 ZINC000037513243 173244114 /nfs/dbraw/zinc/24/41/14/173244114.db2.gz PTBIGEPVKWBMOB-CQSZACIVSA-N 1 2 251.326 2.083 10 0 CEAELO COC(=O)[C@H]1C[C@@H](Oc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000039062891 174161758 /nfs/dbraw/zinc/16/17/58/174161758.db2.gz CRGZQEXVWHUMQC-PSASIEDQSA-N 1 2 290.146 2.276 10 0 CEAELO COc1ccc(Nc2[nH+]c(C)cc(C)c2C(N)=S)cn1 ZINC000040510050 174304035 /nfs/dbraw/zinc/30/40/35/174304035.db2.gz VRPSQGYLZCUOFS-UHFFFAOYSA-N 1 2 288.376 2.480 10 0 CEAELO NC(=O)c1ccccc1-n1cc[nH+]c1-c1ccc(N)cc1 ZINC000040516998 174307485 /nfs/dbraw/zinc/30/74/85/174307485.db2.gz GUBJCNFFABBDMY-UHFFFAOYSA-N 1 2 278.315 2.220 10 0 CEAELO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662889125 414790048 /nfs/dbraw/zinc/79/00/48/414790048.db2.gz HJKYWQIQNHKLDF-GMTAPVOTSA-N 1 2 260.328 2.021 10 0 CEAELO C[C@H]1C[C@@H](O)CN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663987692 415113604 /nfs/dbraw/zinc/11/36/04/415113604.db2.gz UADNDWZAHJETBE-WDEREUQCSA-N 1 2 257.337 2.024 10 0 CEAELO CCC[NH2+][C@](CN(C)[C@@H](C)CC)(C(N)=O)c1ccccc1 ZINC000045263794 175337737 /nfs/dbraw/zinc/33/77/37/175337737.db2.gz HOYOUYAFFGBYNW-YOEHRIQHSA-N 1 2 291.439 2.097 10 0 CEAELO CCN(CC[C@@](C)([NH2+]C)C(=O)OC)c1cccc(C)c1 ZINC000045273235 175343691 /nfs/dbraw/zinc/34/36/91/175343691.db2.gz VDVCSDZHHDCRRF-MRXNPFEDSA-N 1 2 278.396 2.363 10 0 CEAELO CCC[NH2+][C@H](CN(CC)c1ccccc1)C(=O)OC ZINC000045379832 175369394 /nfs/dbraw/zinc/36/93/94/175369394.db2.gz LTDMNXKAMPHQHP-CQSZACIVSA-N 1 2 264.369 2.054 10 0 CEAELO COCC[NH2+][C@H](c1nc(C)cs1)c1c(C)nn(C)c1C ZINC000053288515 175546740 /nfs/dbraw/zinc/54/67/40/175546740.db2.gz IGJZMJNJXBCHHD-ZDUSSCGKSA-N 1 2 294.424 2.127 10 0 CEAELO CNC(=O)c1cccc(N[C@@H](C)c2[nH+]ccn2C)c1C ZINC000070444666 175936745 /nfs/dbraw/zinc/93/67/45/175936745.db2.gz ZZIQVWOBOOYUQM-NSHDSACASA-N 1 2 272.352 2.261 10 0 CEAELO O=[S@@]1CC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000070674391 176000662 /nfs/dbraw/zinc/00/06/62/176000662.db2.gz IVPXHWAAWVXZOX-BONVTDFDSA-N 1 2 264.177 2.386 10 0 CEAELO CCOC(=O)C[N@H+](CC)C[C@H]1OCCc2ccccc21 ZINC000071030860 176022042 /nfs/dbraw/zinc/02/20/42/176022042.db2.gz CFAHUDBKXDIDJX-OAHLLOKOSA-N 1 2 277.364 2.185 10 0 CEAELO CCOC(=O)C[N@@H+](CC)C[C@H]1OCCc2ccccc21 ZINC000071030860 176022044 /nfs/dbraw/zinc/02/20/44/176022044.db2.gz CFAHUDBKXDIDJX-OAHLLOKOSA-N 1 2 277.364 2.185 10 0 CEAELO CCOC(=O)[C@]1([NH2+]CCOC)CCCC[C@H]1CC ZINC000071162892 176047023 /nfs/dbraw/zinc/04/70/23/176047023.db2.gz IPQDSXRRKDZZBW-OCCSQVGLSA-N 1 2 257.374 2.125 10 0 CEAELO Nc1[nH+]cnc2c1cnn2Cc1cccc(Cl)c1 ZINC000071193991 176075877 /nfs/dbraw/zinc/07/58/77/176075877.db2.gz NZASFVZAXQNYCC-UHFFFAOYSA-N 1 2 259.700 2.110 10 0 CEAELO CCNc1[nH+]cnc2c1cnn2Cc1cccc(F)c1 ZINC000071193660 176076049 /nfs/dbraw/zinc/07/60/49/176076049.db2.gz JRYHCPMFEGWJLY-UHFFFAOYSA-N 1 2 271.299 2.446 10 0 CEAELO NC(=O)c1ccc(N2Cc3ccc(F)cc3C2=[NH2+])cc1 ZINC000071268510 176102350 /nfs/dbraw/zinc/10/23/50/176102350.db2.gz UHMNVOVFRUMYLE-UHFFFAOYSA-N 1 2 269.279 2.270 10 0 CEAELO CCCc1[nH+]ccn1-c1nc2ccccc2cc1C(N)=O ZINC000071386379 176147789 /nfs/dbraw/zinc/14/77/89/176147789.db2.gz TWOGVFYVAPAGII-UHFFFAOYSA-N 1 2 280.331 2.472 10 0 CEAELO Cc1ccc(C(N)=S)c(Nc2c[nH+]ccc2C)n1 ZINC000071414381 176159698 /nfs/dbraw/zinc/15/96/98/176159698.db2.gz CVBRGVZMKROBCH-UHFFFAOYSA-N 1 2 258.350 2.471 10 0 CEAELO O=C(NCCc1cn2cc(F)ccc2[nH+]1)c1ccccc1 ZINC000071489974 176190234 /nfs/dbraw/zinc/19/02/34/176190234.db2.gz CGUOCUQAXOLFCH-UHFFFAOYSA-N 1 2 283.306 2.446 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCc1cccc(Cl)c1 ZINC000077369741 177259179 /nfs/dbraw/zinc/25/91/79/177259179.db2.gz LMNBVXRGIJHFOI-VXGBXAGGSA-N 1 2 296.798 2.065 10 0 CEAELO CC[C@H]1COCC[N@@H+]1Cc1cc2c(cc1OC)OCCO2 ZINC000077505753 177275841 /nfs/dbraw/zinc/27/58/41/177275841.db2.gz AETZWXRBWGGFON-ZDUSSCGKSA-N 1 2 293.363 2.077 10 0 CEAELO CC[C@H]1COCC[N@H+]1Cc1cc2c(cc1OC)OCCO2 ZINC000077505753 177275842 /nfs/dbraw/zinc/27/58/42/177275842.db2.gz AETZWXRBWGGFON-ZDUSSCGKSA-N 1 2 293.363 2.077 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1ccc(Cl)cc1F ZINC000078723622 177375952 /nfs/dbraw/zinc/37/59/52/177375952.db2.gz XTEIBCFBQOUJDN-UHFFFAOYSA-N 1 2 267.691 2.175 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000078723622 177375953 /nfs/dbraw/zinc/37/59/53/177375953.db2.gz XTEIBCFBQOUJDN-UHFFFAOYSA-N 1 2 267.691 2.175 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cc(Cl)ccc1F ZINC000078723307 177376012 /nfs/dbraw/zinc/37/60/12/177376012.db2.gz MEVFARQEKIDTTH-UHFFFAOYSA-N 1 2 267.691 2.175 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cc(Cl)ccc1F ZINC000078723307 177376013 /nfs/dbraw/zinc/37/60/13/177376013.db2.gz MEVFARQEKIDTTH-UHFFFAOYSA-N 1 2 267.691 2.175 10 0 CEAELO C[C@@H]1NC(=O)CC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000281639177 278047084 /nfs/dbraw/zinc/04/70/84/278047084.db2.gz MFQRLZFUXZHOQG-CMPLNLGQSA-N 1 2 255.321 2.314 10 0 CEAELO Cc1ccc([C@H](C)[NH2+]Cc2cn3cccnc3n2)o1 ZINC000193138885 289255419 /nfs/dbraw/zinc/25/54/19/289255419.db2.gz USJCWWLGQPRPDA-NSHDSACASA-N 1 2 256.309 2.482 10 0 CEAELO Cc1cc(C)c2c(c1)C[N@H+](Cc1nnnn1C(C)C)CC2 ZINC000186731010 301207801 /nfs/dbraw/zinc/20/78/01/301207801.db2.gz VGPNLSWUOFOPSO-UHFFFAOYSA-N 1 2 285.395 2.429 10 0 CEAELO Cc1cc(C)c2c(c1)C[N@@H+](Cc1nnnn1C(C)C)CC2 ZINC000186731010 301207805 /nfs/dbraw/zinc/20/78/05/301207805.db2.gz VGPNLSWUOFOPSO-UHFFFAOYSA-N 1 2 285.395 2.429 10 0 CEAELO CC(C)n1nnnc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179703895 312753904 /nfs/dbraw/zinc/75/39/04/312753904.db2.gz WWKBQIQBHKLGPB-UHFFFAOYSA-N 1 2 275.331 2.172 10 0 CEAELO COC(=O)[C@H]1C[C@H](Oc2c(C)cc(C)cc2Cl)C[NH2+]1 ZINC000098089359 328701582 /nfs/dbraw/zinc/70/15/82/328701582.db2.gz ZGNHGSVHTQEWHK-CMPLNLGQSA-N 1 2 283.755 2.239 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)n1nc(C)c(C)c1C)C(=O)OC ZINC000068649096 520141958 /nfs/dbraw/zinc/14/19/58/520141958.db2.gz BWAIMKXSVVCSJQ-BMIGLBTASA-N 1 2 281.400 2.301 10 0 CEAELO CCOC(=O)[C@@H](CCSc1cc(C)nn1C)[NH2+]C(C)C ZINC000062603240 521061469 /nfs/dbraw/zinc/06/14/69/521061469.db2.gz STFAZYWPLAAVIB-GFCCVEGCSA-N 1 2 299.440 2.140 10 0 CEAELO CCOC(=O)[C@@H](CCSc1nccc(C)n1)[NH2+]C(C)C ZINC000062602906 521062016 /nfs/dbraw/zinc/06/20/16/521062016.db2.gz SMQWAYKJDDAKAW-GFCCVEGCSA-N 1 2 297.424 2.197 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccccc1)[NH2+]C1CC1 ZINC000062550098 521062142 /nfs/dbraw/zinc/06/21/42/521062142.db2.gz IAIAVISMRCQFGO-CQSZACIVSA-N 1 2 263.337 2.139 10 0 CEAELO CCC[N@H+](C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C(C)C ZINC000069097695 521678528 /nfs/dbraw/zinc/67/85/28/521678528.db2.gz KLWCXKSTRUEZMT-OAHLLOKOSA-N 1 2 268.401 2.092 10 0 CEAELO CCC[N@@H+](C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C(C)C ZINC000069097695 521678530 /nfs/dbraw/zinc/67/85/30/521678530.db2.gz KLWCXKSTRUEZMT-OAHLLOKOSA-N 1 2 268.401 2.092 10 0 CEAELO COC(=O)c1cc(Cl)ccc1NCc1[nH+]ccn1C ZINC000051921776 518019486 /nfs/dbraw/zinc/01/94/86/518019486.db2.gz UMFLYRIFMWRAPP-UHFFFAOYSA-N 1 2 279.727 2.472 10 0 CEAELO CC(C)[NH+]1CCN(c2c(F)cc(C=O)cc2F)CC1 ZINC000062707305 519683428 /nfs/dbraw/zinc/68/34/28/519683428.db2.gz ZAZIIVQTIMZWIF-UHFFFAOYSA-N 1 2 268.307 2.308 10 0 CEAELO CC(C)CSc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061543238 519769740 /nfs/dbraw/zinc/76/97/40/519769740.db2.gz UGTDKXHWLGONTN-UHFFFAOYSA-N 1 2 269.761 2.459 10 0 CEAELO CC(C)[C@H](C)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061522701 519813314 /nfs/dbraw/zinc/81/33/14/519813314.db2.gz FHNZANLWWYXVHW-QMMMGPOBSA-N 1 2 266.736 2.167 10 0 CEAELO CCC1=NN(c2cc(C)ccc2C)C(=O)[C@H]1CC[NH3+] ZINC000069505929 519849224 /nfs/dbraw/zinc/84/92/24/519849224.db2.gz NMLOBJGQAAIUHN-LBPRGKRZSA-N 1 2 259.353 2.381 10 0 CEAELO CC(C)n1cc(Nc2cc[nH+]c(C(N)=S)c2)cn1 ZINC000061813365 519967122 /nfs/dbraw/zinc/96/71/22/519967122.db2.gz SULFPYMOBQSQKE-UHFFFAOYSA-N 1 2 261.354 2.237 10 0 CEAELO CCC[NH2+][C@@](C)(COc1cccc(COC)c1)C(=O)OC ZINC000069508435 520038124 /nfs/dbraw/zinc/03/81/24/520038124.db2.gz ZLHAOWJSSZMGJQ-INIZCTEOSA-N 1 2 295.379 2.143 10 0 CEAELO CCC[NH2+][C@@](CSCCCOC)(C(=O)OC)C1CC1 ZINC000069191432 520057296 /nfs/dbraw/zinc/05/72/96/520057296.db2.gz BWQGHIPITCVEBB-CQSZACIVSA-N 1 2 289.441 2.078 10 0 CEAELO CC[NH2+][C@@H](c1ncccn1)c1cc(OC)ccc1OC ZINC000055234694 520114979 /nfs/dbraw/zinc/11/49/79/520114979.db2.gz KUIVPNGFBAVZFL-CQSZACIVSA-N 1 2 273.336 2.193 10 0 CEAELO CCC[NH2+][C@](C[N@H+](CC1CC1)C(C)C)(C(=O)[O-])C1CC1 ZINC000069183610 520119179 /nfs/dbraw/zinc/11/91/79/520119179.db2.gz FKRJHQSTZVOADT-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](CC1CC1)C(C)C)(C(=O)[O-])C1CC1 ZINC000069183610 520119185 /nfs/dbraw/zinc/11/91/85/520119185.db2.gz FKRJHQSTZVOADT-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[NH2+][C@](COC(C)(C)C)(C(=O)OC)C1CC1 ZINC000069195663 520120681 /nfs/dbraw/zinc/12/06/81/520120681.db2.gz ZPLXRICJTRJMCK-AWEZNQCLSA-N 1 2 257.374 2.123 10 0 CEAELO CC[NH2+][C@@](C)(CCOc1cccc(COC)c1)C(=O)OC ZINC000069508688 520135267 /nfs/dbraw/zinc/13/52/67/520135267.db2.gz ZPTBSQMJNBYBTO-INIZCTEOSA-N 1 2 295.379 2.143 10 0 CEAELO CC[NH2+][C@@](Cn1nc(C)c(C)c1C)(C(=O)OCC)C1CC1 ZINC000069192890 520159872 /nfs/dbraw/zinc/15/98/72/520159872.db2.gz GHQGQWPAGAWBPM-MRXNPFEDSA-N 1 2 293.411 2.130 10 0 CEAELO CCCCCOCC[C@H]([NH2+]C1CC1)C(=O)OCC ZINC000062594978 520245494 /nfs/dbraw/zinc/24/54/94/520245494.db2.gz HPVRTTWNDRSVDG-ZDUSSCGKSA-N 1 2 257.374 2.267 10 0 CEAELO CCNc1nc(C[N@H+](CCO)C2CC2)nc2sccc21 ZINC000050817994 520356191 /nfs/dbraw/zinc/35/61/91/520356191.db2.gz IBDVECWBZOVYQV-UHFFFAOYSA-N 1 2 292.408 2.080 10 0 CEAELO CCNc1nc(C[N@@H+](CCO)C2CC2)nc2sccc21 ZINC000050817994 520356199 /nfs/dbraw/zinc/35/61/99/520356199.db2.gz IBDVECWBZOVYQV-UHFFFAOYSA-N 1 2 292.408 2.080 10 0 CEAELO CCCOc1ccccc1OCC[C@H]([NH2+]C)C(=O)OC ZINC000062544613 520484820 /nfs/dbraw/zinc/48/48/20/520484820.db2.gz LQDTVWNEGJERKX-LBPRGKRZSA-N 1 2 281.352 2.005 10 0 CEAELO CCCC[N@H+](C[C@]([NH2+]C)(C(=O)[O-])C1CC1)[C@@H](C)CC ZINC000069191561 520542445 /nfs/dbraw/zinc/54/24/45/520542445.db2.gz MJRDBKMMIIVODO-SWLSCSKDSA-N 1 2 270.417 2.340 10 0 CEAELO CCCC[N@@H+](C[C@]([NH2+]C)(C(=O)[O-])C1CC1)[C@@H](C)CC ZINC000069191561 520542449 /nfs/dbraw/zinc/54/24/49/520542449.db2.gz MJRDBKMMIIVODO-SWLSCSKDSA-N 1 2 270.417 2.340 10 0 CEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1cccc(C)c1 ZINC000184164410 520594005 /nfs/dbraw/zinc/59/40/05/520594005.db2.gz QGHKIYLEWJJCAP-OAHLLOKOSA-N 1 2 276.380 2.434 10 0 CEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1cccc(C)c1 ZINC000184164410 520594014 /nfs/dbraw/zinc/59/40/14/520594014.db2.gz QGHKIYLEWJJCAP-OAHLLOKOSA-N 1 2 276.380 2.434 10 0 CEAELO CCCCNC(=O)c1sc(C[NH+](C)C)nc1C ZINC000049666918 520688884 /nfs/dbraw/zinc/68/88/84/520688884.db2.gz LTHOXERVCNJURE-UHFFFAOYSA-N 1 2 255.387 2.043 10 0 CEAELO CCCCOCCO[C@H](C)C[C@](C)([NH2+]C)C(=O)OCC ZINC000068653031 520792939 /nfs/dbraw/zinc/79/29/39/520792939.db2.gz LSOOJJSDUKALKM-HIFRSBDPSA-N 1 2 289.416 2.140 10 0 CEAELO CCOC(=O)[C@@H](CCn1nc(C)c(C)c1C)[NH2+]C(C)C ZINC000062536690 521061554 /nfs/dbraw/zinc/06/15/54/521061554.db2.gz PAFLRVYUPUPHSL-CQSZACIVSA-N 1 2 281.400 2.128 10 0 CEAELO CCOC(=O)[C@@](CS[C@H](C)CC)([NH2+]C)C1CC1 ZINC000069185196 521170205 /nfs/dbraw/zinc/17/02/05/521170205.db2.gz YGFQWPVCGYEMQO-MFKMUULPSA-N 1 2 259.415 2.449 10 0 CEAELO CCOC(=O)[C@H](C)Nc1ccc2[nH+]cccc2c1N ZINC000049371874 521215587 /nfs/dbraw/zinc/21/55/87/521215587.db2.gz GVRQSKFJFXBMOO-VIFPVBQESA-N 1 2 259.309 2.181 10 0 CEAELO CCC(C)(C)[N@H+](C)C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069446888 521304557 /nfs/dbraw/zinc/30/45/57/521304557.db2.gz MFLDNHCTCHGPQU-HNNXBMFYSA-N 1 2 270.417 2.338 10 0 CEAELO CCC(C)(C)[N@@H+](C)C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069446888 521304564 /nfs/dbraw/zinc/30/45/64/521304564.db2.gz MFLDNHCTCHGPQU-HNNXBMFYSA-N 1 2 270.417 2.338 10 0 CEAELO CCOc1cccc(OC[C@]([NH2+]C)(C(=O)OC)C2CC2)c1 ZINC000069198397 521402854 /nfs/dbraw/zinc/40/28/54/521402854.db2.gz OERFIOZBRXRWSY-MRXNPFEDSA-N 1 2 293.363 2.005 10 0 CEAELO CCCn1ccnc1[C@H]([NH2+]C)c1cccnc1OC ZINC000061446674 521663775 /nfs/dbraw/zinc/66/37/75/521663775.db2.gz UCHFYWOGFPQCCD-GFCCVEGCSA-N 1 2 260.341 2.006 10 0 CEAELO C[NH2+][C@@H](c1nnc([C@H]2CCCO2)o1)c1ccccc1 ZINC000050618043 522374248 /nfs/dbraw/zinc/37/42/48/522374248.db2.gz RJJVSWULTGLMKR-VXGBXAGGSA-N 1 2 259.309 2.230 10 0 CEAELO C[NH2+][C@@](CSc1cccs1)(C(=O)OC)C1CC1 ZINC000069184982 522432978 /nfs/dbraw/zinc/43/29/78/522432978.db2.gz ZNHYKCFBUFYYKP-GFCCVEGCSA-N 1 2 271.407 2.381 10 0 CEAELO C[NH2+][C@H](c1nnc([C@H]2CCCO2)o1)c1ccccc1 ZINC000050618042 522488783 /nfs/dbraw/zinc/48/87/83/522488783.db2.gz RJJVSWULTGLMKR-NEPJUHHUSA-N 1 2 259.309 2.230 10 0 CEAELO CCc1[nH+]c2ccccc2n1C[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000062808013 522503584 /nfs/dbraw/zinc/50/35/84/522503584.db2.gz UFANPARBARSFAR-INIZCTEOSA-N 1 2 289.379 2.440 10 0 CEAELO CCc1[nH+]c2ccccc2n1[C@@H](C)C[C@@](C)([NH3+])C(=O)[O-] ZINC000068650228 522503667 /nfs/dbraw/zinc/50/36/67/522503667.db2.gz GPFXYOMXENAZNQ-ZUZCIYMTSA-N 1 2 275.352 2.352 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)Oc1ccc(C)cc1OC)C(=O)OC ZINC000068657146 522519452 /nfs/dbraw/zinc/51/94/52/522519452.db2.gz BUPOZFSCOOYATJ-MLGOLLRUSA-N 1 2 295.379 2.312 10 0 CEAELO C[NH2+][C@](C[N@@H+]1CCC[C@@H]1C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069132011 522528387 /nfs/dbraw/zinc/52/83/87/522528387.db2.gz MWMDAGNBIBNGRZ-ZBFHGGJFSA-N 1 2 280.412 2.094 10 0 CEAELO C[NH2+][C@](C[N@H+]1CCC[C@@H]1C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069132011 522528392 /nfs/dbraw/zinc/52/83/92/522528392.db2.gz MWMDAGNBIBNGRZ-ZBFHGGJFSA-N 1 2 280.412 2.094 10 0 CEAELO CNc1ccc(CSc2nnnn2-c2ccccc2)c[nH+]1 ZINC000050834301 522612658 /nfs/dbraw/zinc/61/26/58/522612658.db2.gz XJKNYMUTAYHCPW-UHFFFAOYSA-N 1 2 298.375 2.391 10 0 CEAELO COc1ccc(-c2[nH+]c(C(C)(C)C)n(N)c2N)cc1C ZINC000052839607 523190122 /nfs/dbraw/zinc/19/01/22/523190122.db2.gz VPEJAUGJDKLLRC-UHFFFAOYSA-N 1 2 274.368 2.461 10 0 CEAELO CCn1cc(C[N@@H+]2CCN[C@@](C)(c3ccccc3)C2)cn1 ZINC000068693782 523376586 /nfs/dbraw/zinc/37/65/86/523376586.db2.gz IMGQRHAYSWRJQQ-QGZVFWFLSA-N 1 2 284.407 2.224 10 0 CEAELO CCn1cc(C[N@H+]2CCN[C@@](C)(c3ccccc3)C2)cn1 ZINC000068693782 523376593 /nfs/dbraw/zinc/37/65/93/523376593.db2.gz IMGQRHAYSWRJQQ-QGZVFWFLSA-N 1 2 284.407 2.224 10 0 CEAELO CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCO1 ZINC000184139769 523524769 /nfs/dbraw/zinc/52/47/69/523524769.db2.gz ZBUCOMBVYBEPRW-RRFJBIMHSA-N 1 2 291.395 2.079 10 0 CEAELO CCn1cc[nH+]c1CN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000054743665 523540050 /nfs/dbraw/zinc/54/00/50/523540050.db2.gz IBDZLHAUXJKHCP-UHFFFAOYSA-N 1 2 283.331 2.249 10 0 CEAELO COC(=O)[C@@H](CCN(C)c1cccc(OC)c1)[NH2+]C(C)C ZINC000062528452 523571318 /nfs/dbraw/zinc/57/13/18/523571318.db2.gz LXKFMPLEDNAHAD-OAHLLOKOSA-N 1 2 294.395 2.061 10 0 CEAELO CN(Cc1[nH+]ccn1C)c1ccc(N)cc1Cl ZINC000062249994 523594556 /nfs/dbraw/zinc/59/45/56/523594556.db2.gz NFKWYIZGGVWPTJ-UHFFFAOYSA-N 1 2 250.733 2.292 10 0 CEAELO C[N@H+]([C@H](CC(=O)[O-])c1ccccc1)C1CC[NH+](C)CC1 ZINC000062756545 523626827 /nfs/dbraw/zinc/62/68/27/523626827.db2.gz YUIGSXGANNJAHP-OAHLLOKOSA-N 1 2 276.380 2.228 10 0 CEAELO C[N@@H+]([C@H](CC(=O)[O-])c1ccccc1)C1CC[NH+](C)CC1 ZINC000062756545 523626830 /nfs/dbraw/zinc/62/68/30/523626830.db2.gz YUIGSXGANNJAHP-OAHLLOKOSA-N 1 2 276.380 2.228 10 0 CEAELO COC(=O)[C@@](C)(COc1cc(F)cc(F)c1)[NH2+]C(C)C ZINC000054933906 523814939 /nfs/dbraw/zinc/81/49/39/523814939.db2.gz UKLAHTAEBFTOQI-CQSZACIVSA-N 1 2 287.306 2.273 10 0 CEAELO COC(=O)[C@H](CCOc1c(C)cccc1C)[NH2+]C1CC1 ZINC000062547420 523899649 /nfs/dbraw/zinc/89/96/49/523899649.db2.gz ZPCQJMGCBLBWCN-AWEZNQCLSA-N 1 2 277.364 2.366 10 0 CEAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc(C(F)F)c2)C1 ZINC000150814644 523938646 /nfs/dbraw/zinc/93/86/46/523938646.db2.gz UTXUWDNNWGBKCF-LBPRGKRZSA-N 1 2 299.321 2.076 10 0 CEAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc(C(F)F)c2)C1 ZINC000150814644 523938649 /nfs/dbraw/zinc/93/86/49/523938649.db2.gz UTXUWDNNWGBKCF-LBPRGKRZSA-N 1 2 299.321 2.076 10 0 CEAELO CO[C@H]1CCC[C@@H]1Nc1[nH+]c(C)ccc1C(N)=S ZINC000050375117 523981219 /nfs/dbraw/zinc/98/12/19/523981219.db2.gz SOVURIIFXNPTLS-QWRGUYRKSA-N 1 2 265.382 2.004 10 0 CEAELO COC(=O)[C@](COCCC(C)C)([NH2+]C1CC1)C1CC1 ZINC000069196240 524004702 /nfs/dbraw/zinc/00/47/02/524004702.db2.gz UOQMBKUHNNUNKL-OAHLLOKOSA-N 1 2 269.385 2.123 10 0 CEAELO COc1ccccc1NC(=O)Nc1ccc(N)[nH+]c1 ZINC000061680629 524618022 /nfs/dbraw/zinc/61/80/22/524618022.db2.gz MQOPFLVLDHKVIX-UHFFFAOYSA-N 1 2 258.281 2.316 10 0 CEAELO C[C@@H](C[C@](C)([NH3+])C(=O)[O-])n1cc[nH+]c1-c1ccccc1 ZINC000068649073 524861509 /nfs/dbraw/zinc/86/15/09/524861509.db2.gz CAMCWAVJAKMITP-NHYWBVRUSA-N 1 2 273.336 2.303 10 0 CEAELO Cc1ccccc1N1N=C(C(C)C)[C@H](CC[NH3+])C1=O ZINC000069506173 525225855 /nfs/dbraw/zinc/22/58/55/525225855.db2.gz ZKFTWMWMEFNLQI-LBPRGKRZSA-N 1 2 259.353 2.319 10 0 CEAELO Cc1cc(NCCCn2cc[nH+]c2)nc(Cl)n1 ZINC000052814082 525269527 /nfs/dbraw/zinc/26/95/27/525269527.db2.gz YVUBDMXKRWYPQF-UHFFFAOYSA-N 1 2 251.721 2.137 10 0 CEAELO CSCCNc1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000069444318 525512009 /nfs/dbraw/zinc/51/20/09/525512009.db2.gz DTKIRMJZBCWXQZ-UHFFFAOYSA-N 1 2 281.450 2.370 10 0 CEAELO C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000187982568 525559613 /nfs/dbraw/zinc/55/96/13/525559613.db2.gz YEUCFCZEMAFJHR-WCQYABFASA-N 1 2 286.335 2.021 10 0 CEAELO Cc1[nH]c(CNc2cc3c(cc2F)CCC(=O)N3)c[nH+]1 ZINC000054822001 526896838 /nfs/dbraw/zinc/89/68/38/526896838.db2.gz XEFDMUWHIYVPBQ-UHFFFAOYSA-N 1 2 274.299 2.354 10 0 CEAELO Cc1[nH]cc(CNc2cc3c(cc2F)CCC(=O)N3)[nH+]1 ZINC000054822001 526896843 /nfs/dbraw/zinc/89/68/43/526896843.db2.gz XEFDMUWHIYVPBQ-UHFFFAOYSA-N 1 2 274.299 2.354 10 0 CEAELO NC(=S)c1ncccc1C[NH+]1Cc2ccccc2C1 ZINC000061663662 527123003 /nfs/dbraw/zinc/12/30/03/527123003.db2.gz UNNDGCVMGGNRPM-UHFFFAOYSA-N 1 2 269.373 2.232 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccc(Cl)c(C(N)=O)c1 ZINC000054795416 527215932 /nfs/dbraw/zinc/21/59/32/527215932.db2.gz CIZHOXBWTYEEFR-UHFFFAOYSA-N 1 2 264.716 2.083 10 0 CEAELO Nc1c(-c2cccc(Br)c2)[nH+]c(C2CC2)n1N ZINC000052839058 527423259 /nfs/dbraw/zinc/42/32/59/527423259.db2.gz FDJJGKJHIIQFBX-UHFFFAOYSA-N 1 2 293.168 2.486 10 0 CEAELO Nc1ccc(Cl)c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000061638856 527486003 /nfs/dbraw/zinc/48/60/03/527486003.db2.gz WCDHNJJCGSDERH-QWHCGFSZSA-N 1 2 281.787 2.461 10 0 CEAELO Nc1ccc(Cl)c(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000061638856 527486007 /nfs/dbraw/zinc/48/60/07/527486007.db2.gz WCDHNJJCGSDERH-QWHCGFSZSA-N 1 2 281.787 2.461 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)c1cc2c(s1)CCC2 ZINC000062725771 527537144 /nfs/dbraw/zinc/53/71/44/527537144.db2.gz ZCGYSAPWHXBOIU-UHFFFAOYSA-N 1 2 259.334 2.466 10 0 CEAELO Nc1nc(-c2ccc3c(c2)OCO3)[nH+]c2c1CCCC2 ZINC000050867176 527540317 /nfs/dbraw/zinc/54/03/17/527540317.db2.gz VDJWEJTYVIJFFW-UHFFFAOYSA-N 1 2 269.304 2.333 10 0 CEAELO Nc1[nH+]c2ccccc2cc1CN1CCCCC1=O ZINC000050829288 527561718 /nfs/dbraw/zinc/56/17/18/527561718.db2.gz OKYUXFHTUQAKMR-UHFFFAOYSA-N 1 2 255.321 2.330 10 0 CEAELO COC(=O)[C@@H](C)[C@@H](C)[N@@H+]1CCCc2cc(N)ccc21 ZINC000093038389 536442776 /nfs/dbraw/zinc/44/27/76/536442776.db2.gz PRCJXXFUOLIGFE-WDEREUQCSA-N 1 2 262.353 2.219 10 0 CEAELO COC(=O)[C@@H](C)[C@@H](C)[N@H+]1CCCc2cc(N)ccc21 ZINC000093038389 536442780 /nfs/dbraw/zinc/44/27/80/536442780.db2.gz PRCJXXFUOLIGFE-WDEREUQCSA-N 1 2 262.353 2.219 10 0 CEAELO Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1cc[nH]c1=S ZINC000176076233 623997074 /nfs/dbraw/zinc/99/70/74/623997074.db2.gz KJIHGBWZEUSBTE-GFCCVEGCSA-N 1 2 277.397 2.173 10 0 CEAELO Cc1[nH+]ccn1C[C@H]1CCCN1Cn1cc[nH]c1=S ZINC000176076233 623997080 /nfs/dbraw/zinc/99/70/80/623997080.db2.gz KJIHGBWZEUSBTE-GFCCVEGCSA-N 1 2 277.397 2.173 10 0 CEAELO Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262737753 631210575 /nfs/dbraw/zinc/21/05/75/631210575.db2.gz CHMFEGXNIFSYCU-QWHCGFSZSA-N 1 2 280.318 2.096 10 0 CEAELO Cc1c(Cl)cnn1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000156690133 639373837 /nfs/dbraw/zinc/37/38/37/639373837.db2.gz WHPPMRRSHQEWEK-UHFFFAOYSA-N 1 2 293.802 2.416 10 0 CEAELO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCOC1 ZINC000181182458 641519980 /nfs/dbraw/zinc/51/99/80/641519980.db2.gz KIPVRHJGFOJTBZ-JSGCOSHPSA-N 1 2 286.331 2.454 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000189312693 641785493 /nfs/dbraw/zinc/78/54/93/641785493.db2.gz OMFNAKVYYBYMBM-CYBMUJFWSA-N 1 2 279.359 2.101 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000189312693 641785498 /nfs/dbraw/zinc/78/54/98/641785498.db2.gz OMFNAKVYYBYMBM-CYBMUJFWSA-N 1 2 279.359 2.101 10 0 CEAELO [NH3+][C@H](c1noc(C(F)F)n1)c1cc(F)c(F)c(F)c1 ZINC000095532907 185006535 /nfs/dbraw/zinc/00/65/35/185006535.db2.gz UHCZMVQALHXWDA-ZETCQYMHSA-N 1 2 279.168 2.473 10 0 CEAELO COc1cccc(C[S@@](=O)Cc2[nH+]ccn2C(C)C)n1 ZINC000121250831 365540554 /nfs/dbraw/zinc/54/05/54/365540554.db2.gz XDYNDVXZHYUWBT-FQEVSTJZSA-N 1 2 293.392 2.317 10 0 CEAELO C[C@H](O)CC[NH2+]c1ccc(N)cc1Br ZINC000082991385 178333412 /nfs/dbraw/zinc/33/34/12/178333412.db2.gz ZICGAUIDVPFDJQ-ZETCQYMHSA-N 1 2 259.147 2.214 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)Cc1cccc(F)c1 ZINC000083033719 178335930 /nfs/dbraw/zinc/33/59/30/178335930.db2.gz WAGDEGAPWJJYRL-SFHVURJKSA-N 1 2 266.341 2.491 10 0 CEAELO [NH3+][C@H](c1nc(-c2cncs2)no1)c1ccccc1 ZINC000096884837 185120498 /nfs/dbraw/zinc/12/04/98/185120498.db2.gz FEVFQCLBAKGKQJ-JTQLQIEISA-N 1 2 258.306 2.241 10 0 CEAELO O=C1NCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000308879572 539292000 /nfs/dbraw/zinc/29/20/00/539292000.db2.gz PGSNGPZUKPFYKX-ZCFIWIBFSA-N 1 2 265.165 2.033 10 0 CEAELO CC(C)[N@H+](CC(F)F)C[C@@H](O)COC(C)(C)C ZINC000128086114 365774357 /nfs/dbraw/zinc/77/43/57/365774357.db2.gz MBEFUZJEQFCKAT-SNVBAGLBSA-N 1 2 253.333 2.138 10 0 CEAELO CC(C)[N@@H+](CC(F)F)C[C@@H](O)COC(C)(C)C ZINC000128086114 365774360 /nfs/dbraw/zinc/77/43/60/365774360.db2.gz MBEFUZJEQFCKAT-SNVBAGLBSA-N 1 2 253.333 2.138 10 0 CEAELO Cc1cc2[nH]c(I)cc2c[nH+]1 ZINC000095920112 344237957 /nfs/dbraw/zinc/23/79/57/344237957.db2.gz MEGOTFRQIXRVLV-UHFFFAOYSA-N 1 2 258.062 2.476 10 0 CEAELO [NH3+][C@H](c1ccco1)c1ncccc1Br ZINC000133189741 344367553 /nfs/dbraw/zinc/36/75/53/344367553.db2.gz UKYOTYDLBCYRKA-SECBINFHSA-N 1 2 253.099 2.485 10 0 CEAELO c1nc(N[C@@H]2CCCOC2)cc(NCC[C@@H]2CCCO2)[nH+]1 ZINC000328653482 344758214 /nfs/dbraw/zinc/75/82/14/344758214.db2.gz WWPDBLSPBYXUJS-OLZOCXBDSA-N 1 2 292.383 2.049 10 0 CEAELO c1nc(NCC[C@@H]2CCCO2)cc(N[C@@H]2CCCOC2)[nH+]1 ZINC000328653482 344758216 /nfs/dbraw/zinc/75/82/16/344758216.db2.gz WWPDBLSPBYXUJS-OLZOCXBDSA-N 1 2 292.383 2.049 10 0 CEAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1ccsc1 ZINC000328620976 344755503 /nfs/dbraw/zinc/75/55/03/344755503.db2.gz HMYZKPNSACQRKB-LLVKDONJSA-N 1 2 275.377 2.279 10 0 CEAELO COC(=O)c1ccn2c(N)c(-c3ccccc3)[nH+]c2c1 ZINC000584605150 344963598 /nfs/dbraw/zinc/96/35/98/344963598.db2.gz GAFZWTSPUBNNMT-UHFFFAOYSA-N 1 2 267.288 2.370 10 0 CEAELO c1ccc(-c2ncc3c(n2)CCN(c2cccc[nH+]2)C3)nc1 ZINC000584648414 344972885 /nfs/dbraw/zinc/97/28/85/344972885.db2.gz IXMNXQVQBZEATB-UHFFFAOYSA-N 1 2 289.342 2.496 10 0 CEAELO Cc1c(Cl)ccc2c1[nH+]cc1c2NCCNC1=O ZINC000053994733 362503498 /nfs/dbraw/zinc/50/34/98/362503498.db2.gz MXEMELDZXZWFSE-UHFFFAOYSA-N 1 2 261.712 2.352 10 0 CEAELO Cn1cc[nH+]c1[C@H](Cc1csc2ccccc12)NN ZINC000097616191 185639203 /nfs/dbraw/zinc/63/92/03/185639203.db2.gz ZRNOOEYGWGWOBU-LBPRGKRZSA-N 1 2 272.377 2.382 10 0 CEAELO Cn1cc[nH+]c1[C@@H](NN)C1CCC(C(F)(F)F)CC1 ZINC000097736707 185659071 /nfs/dbraw/zinc/65/90/71/185659071.db2.gz QUIZSMZZKGFOQK-RTBKNWGFSA-N 1 2 276.306 2.293 10 0 CEAELO COC(=O)C(C)(C)[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000085400515 179051547 /nfs/dbraw/zinc/05/15/47/179051547.db2.gz VJNIHHKYOCSNJT-NEPJUHHUSA-N 1 2 271.401 2.367 10 0 CEAELO CCn1c(C)cc(C(=O)CN2CCn3cc[nH+]c3C2)c1C ZINC000062254213 362716488 /nfs/dbraw/zinc/71/64/88/362716488.db2.gz KFLPBIQAXXBUCL-UHFFFAOYSA-N 1 2 286.379 2.020 10 0 CEAELO COC(=O)c1cccnc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599553296 346535963 /nfs/dbraw/zinc/53/59/63/346535963.db2.gz YTEADWKPWVFVNA-UHFFFAOYSA-N 1 2 284.306 2.489 10 0 CEAELO COC(=O)c1cccnc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599553296 346535967 /nfs/dbraw/zinc/53/59/67/346535967.db2.gz YTEADWKPWVFVNA-UHFFFAOYSA-N 1 2 284.306 2.489 10 0 CEAELO Cc1nc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc[nH+]1 ZINC000129384725 365852523 /nfs/dbraw/zinc/85/25/23/365852523.db2.gz XTNOWUSKGBBUDQ-BXUZGUMPSA-N 1 2 291.301 2.376 10 0 CEAELO C[NH+](C)Cc1nc(C(C)(C)C)c(Br)c(=O)[nH]1 ZINC000085792282 179172223 /nfs/dbraw/zinc/17/22/23/179172223.db2.gz GCMXGAOODKQONI-UHFFFAOYSA-N 1 2 288.189 2.304 10 0 CEAELO CC(C)c1nc(C[NH+](C)C)nc(N)c1Br ZINC000085801337 179173948 /nfs/dbraw/zinc/17/39/48/179173948.db2.gz WBVXZUOYYXKDFJ-UHFFFAOYSA-N 1 2 273.178 2.006 10 0 CEAELO CC(C)(c1noc([C@]2([NH3+])CCOC2)n1)c1ccc(F)cc1 ZINC000085852723 179189008 /nfs/dbraw/zinc/18/90/08/179189008.db2.gz PXSLMTANEBSBNI-HNNXBMFYSA-N 1 2 291.326 2.109 10 0 CEAELO CCC1CCC(O)(CNc2[nH+]cnc3c2cnn3C)CC1 ZINC000087067865 179390573 /nfs/dbraw/zinc/39/05/73/179390573.db2.gz ZWGCYILWBLGBHC-UHFFFAOYSA-N 1 2 289.383 2.107 10 0 CEAELO CCOC(=O)N1CCC[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616626613 348539588 /nfs/dbraw/zinc/53/95/88/348539588.db2.gz BCLZLSBNSGOZEC-LLVKDONJSA-N 1 2 263.341 2.390 10 0 CEAELO CC(=O)N1C[C@H](c2ccc[nH+]c2N)Nc2ccccc21 ZINC000616584758 348526844 /nfs/dbraw/zinc/52/68/44/348526844.db2.gz LKXWKMJUGCKWQE-CYBMUJFWSA-N 1 2 268.320 2.184 10 0 CEAELO CCn1c[nH+]cc1[C@@H](O)Cc1c(Cl)c(C)nn1CC ZINC000090203458 179930902 /nfs/dbraw/zinc/93/09/02/179930902.db2.gz JLEWKKGNQFPZDK-LBPRGKRZSA-N 1 2 282.775 2.357 10 0 CEAELO O=C1C(=O)N(Cc2c[nH+]cn2C2CC2)c2ccc(F)cc21 ZINC000090237573 179937798 /nfs/dbraw/zinc/93/77/98/179937798.db2.gz CRJUYJNODUHLII-UHFFFAOYSA-N 1 2 285.278 2.087 10 0 CEAELO [NH3+][C@@H](C(=O)OCc1ccccc1)c1cccc(O)c1 ZINC000090714673 180028370 /nfs/dbraw/zinc/02/83/70/180028370.db2.gz CRKUMBZGFVYWRD-CQSZACIVSA-N 1 2 257.289 2.135 10 0 CEAELO CCC[C@H](CC(=O)Nc1cc(C)[nH]n1)n1cc[nH+]c1 ZINC000104445847 186004974 /nfs/dbraw/zinc/00/49/74/186004974.db2.gz NQFUVGNMEZFZHY-LLVKDONJSA-N 1 2 261.329 2.285 10 0 CEAELO COc1ccc([C@@H](C)O)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906945 180061202 /nfs/dbraw/zinc/06/12/02/180061202.db2.gz RDPGOMOYOYFDGP-DFBGVHRSSA-N 1 2 277.364 2.112 10 0 CEAELO COc1ccc([C@@H](C)O)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906945 180061203 /nfs/dbraw/zinc/06/12/03/180061203.db2.gz RDPGOMOYOYFDGP-DFBGVHRSSA-N 1 2 277.364 2.112 10 0 CEAELO O=Cc1cn(CCCn2cc[nH+]c2)c2ncccc12 ZINC000091017257 180086969 /nfs/dbraw/zinc/08/69/69/180086969.db2.gz YWKFVDHKKBEUJH-UHFFFAOYSA-N 1 2 254.293 2.136 10 0 CEAELO CCc1nnc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)n1C ZINC000091081410 180094113 /nfs/dbraw/zinc/09/41/13/180094113.db2.gz DOEDUCDUXNIDTG-LBPRGKRZSA-N 1 2 288.399 2.055 10 0 CEAELO CCc1nnc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)n1C ZINC000091081410 180094115 /nfs/dbraw/zinc/09/41/15/180094115.db2.gz DOEDUCDUXNIDTG-LBPRGKRZSA-N 1 2 288.399 2.055 10 0 CEAELO CC[C@@H](C)N[C@H](C(=O)OC)c1c[nH+]cn1C(C)C ZINC000091272855 180117556 /nfs/dbraw/zinc/11/75/56/180117556.db2.gz IZDXJWOMKSTDIY-PWSUYJOCSA-N 1 2 253.346 2.066 10 0 CEAELO CC(C)n1cncc1[C@@H]([NH3+])c1nc2c(s1)CCC2 ZINC000091273135 180117692 /nfs/dbraw/zinc/11/76/92/180117692.db2.gz MUMQTQUPBMNNLX-GFCCVEGCSA-N 1 2 262.382 2.457 10 0 CEAELO NC(=O)c1cc(NCc2c[nH+]cn2C2CC2)c(F)cc1F ZINC000091274543 180118715 /nfs/dbraw/zinc/11/87/15/180118715.db2.gz AVARFRNJZRSTDA-UHFFFAOYSA-N 1 2 292.289 2.207 10 0 CEAELO CCOC(=O)[C@H](NCC(C)C)c1c[nH+]cn1C1CC1 ZINC000091276924 180119823 /nfs/dbraw/zinc/11/98/23/180119823.db2.gz YDXXUTITRQERNU-CYBMUJFWSA-N 1 2 265.357 2.068 10 0 CEAELO Cn1c[nH+]cc1COc1cccc2c1CCC[C@@H]2O ZINC000091278693 180120750 /nfs/dbraw/zinc/12/07/50/180120750.db2.gz LGBODGNANSGXSD-AWEZNQCLSA-N 1 2 258.321 2.369 10 0 CEAELO Nc1ccc2c(c1)C(=O)N(Cc1cn3ccccc3[nH+]1)C2 ZINC000091412379 180148656 /nfs/dbraw/zinc/14/86/56/180148656.db2.gz RUYQJVGNIIARIZ-UHFFFAOYSA-N 1 2 278.315 2.073 10 0 CEAELO Cc1ccccc1CC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000091565611 180193760 /nfs/dbraw/zinc/19/37/60/180193760.db2.gz JYDDQVUIQYHFCS-UHFFFAOYSA-N 1 2 261.365 2.217 10 0 CEAELO CC[C@@](C)([C@@H](O)c1cccc(F)c1F)[NH+]1CCOCC1 ZINC000091611555 180206223 /nfs/dbraw/zinc/20/62/23/180206223.db2.gz CISGWTSEMGYKCR-GJZGRUSLSA-N 1 2 285.334 2.499 10 0 CEAELO CC[C@@](C)([C@@H](O)c1cc(F)ccc1F)[NH+]1CCOCC1 ZINC000091611267 180206613 /nfs/dbraw/zinc/20/66/13/180206613.db2.gz OXYNFLRRYUFFAU-GJZGRUSLSA-N 1 2 285.334 2.499 10 0 CEAELO CC[C@](C)([C@@H](O)c1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC000091611528 180206626 /nfs/dbraw/zinc/20/66/26/180206626.db2.gz DOXNXHYSBHLZPN-LSDHHAIUSA-N 1 2 285.334 2.499 10 0 CEAELO CC(C)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000105282964 186050540 /nfs/dbraw/zinc/05/05/40/186050540.db2.gz OUOVATXUMVZLBX-OAHLLOKOSA-N 1 2 291.395 2.262 10 0 CEAELO CC(C)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000105282964 186050541 /nfs/dbraw/zinc/05/05/41/186050541.db2.gz OUOVATXUMVZLBX-OAHLLOKOSA-N 1 2 291.395 2.262 10 0 CEAELO Cc1ccc(Cl)cc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092080284 180318722 /nfs/dbraw/zinc/31/87/22/180318722.db2.gz SIPSGZQFGZKPRV-GFCCVEGCSA-N 1 2 255.745 2.358 10 0 CEAELO Cc1ccc(Cl)cc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092080284 180318724 /nfs/dbraw/zinc/31/87/24/180318724.db2.gz SIPSGZQFGZKPRV-GFCCVEGCSA-N 1 2 255.745 2.358 10 0 CEAELO Cc1noc(C)c1[C@H](C)Nc1[nH+]cccc1C(N)=S ZINC000092331265 180364411 /nfs/dbraw/zinc/36/44/11/180364411.db2.gz XEOUFJPAQMSSAJ-ZETCQYMHSA-N 1 2 276.365 2.494 10 0 CEAELO CCCNc1cccc(CN2CCn3ccnc3C2)[nH+]1 ZINC000092370493 180369941 /nfs/dbraw/zinc/36/99/41/180369941.db2.gz NDDWEUQAXGHLRT-UHFFFAOYSA-N 1 2 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Cc1nc([C@@H]2C[N@H+](C[C@@H](C)c3ccccc3)CCO2)n[nH]1 ZINC000173683166 395115763 /nfs/dbraw/zinc/11/57/63/395115763.db2.gz AXBUHQLCGQMTLT-DOMZBBRYSA-N 1 2 286.379 2.290 10 0 CEAELO Cc1nc([C@@H]2C[N@@H+](C[C@@H](C)c3ccccc3)CCO2)n[nH]1 ZINC000173683166 395115766 /nfs/dbraw/zinc/11/57/66/395115766.db2.gz AXBUHQLCGQMTLT-DOMZBBRYSA-N 1 2 286.379 2.290 10 0 CEAELO Cc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)co1 ZINC000188153727 395311173 /nfs/dbraw/zinc/31/11/73/395311173.db2.gz XHRZIQJDZJWSDH-CYBMUJFWSA-N 1 2 259.309 2.089 10 0 CEAELO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccc(OC)c1F ZINC000192976072 395398574 /nfs/dbraw/zinc/39/85/74/395398574.db2.gz CXUURDHZRJSLRM-HNNXBMFYSA-N 1 2 281.327 2.362 10 0 CEAELO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cccc(OC)c1F ZINC000192976072 395398577 /nfs/dbraw/zinc/39/85/77/395398577.db2.gz CXUURDHZRJSLRM-HNNXBMFYSA-N 1 2 281.327 2.362 10 0 CEAELO CCc1nnc(C[N@H+](C)CCOc2ccccc2F)n1C ZINC000195038997 395457401 /nfs/dbraw/zinc/45/74/01/395457401.db2.gz HLUDYJHMHULOTB-UHFFFAOYSA-N 1 2 292.358 2.027 10 0 CEAELO CCc1nnc(C[N@@H+](C)CCOc2ccccc2F)n1C ZINC000195038997 395457405 /nfs/dbraw/zinc/45/74/05/395457405.db2.gz HLUDYJHMHULOTB-UHFFFAOYSA-N 1 2 292.358 2.027 10 0 CEAELO O=C(N[C@@H](C1CCC1)C1CCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000648200917 395862247 /nfs/dbraw/zinc/86/22/47/395862247.db2.gz VSPWAIHNNJURSY-QWHCGFSZSA-N 1 2 286.366 2.459 10 0 CEAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000190631168 153136621 /nfs/dbraw/zinc/13/66/21/153136621.db2.gz INVPOIXMJIGIEK-WOPDTQHZSA-N 1 2 257.374 2.216 10 0 CEAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000190631168 153136626 /nfs/dbraw/zinc/13/66/26/153136626.db2.gz INVPOIXMJIGIEK-WOPDTQHZSA-N 1 2 257.374 2.216 10 0 CEAELO C[C@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000194844778 153265237 /nfs/dbraw/zinc/26/52/37/153265237.db2.gz GTROSFUDNDURBI-HIFRSBDPSA-N 1 2 282.428 2.040 10 0 CEAELO C[C@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000194844778 153265242 /nfs/dbraw/zinc/26/52/42/153265242.db2.gz GTROSFUDNDURBI-HIFRSBDPSA-N 1 2 282.428 2.040 10 0 CEAELO CC(C)(C)c1csc([C@H]2C[N@H+](CCCO)CCO2)n1 ZINC000195438479 153287158 /nfs/dbraw/zinc/28/71/58/153287158.db2.gz GMBVASDVUOOLPR-LLVKDONJSA-N 1 2 284.425 2.196 10 0 CEAELO CC(C)(C)c1csc([C@H]2C[N@@H+](CCCO)CCO2)n1 ZINC000195438479 153287160 /nfs/dbraw/zinc/28/71/60/153287160.db2.gz GMBVASDVUOOLPR-LLVKDONJSA-N 1 2 284.425 2.196 10 0 CEAELO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507986 153292318 /nfs/dbraw/zinc/29/23/18/153292318.db2.gz DDJBCKGNOAHYCU-CYBMUJFWSA-N 1 2 292.427 2.140 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1ccc(C)cc1 ZINC000195519775 153293788 /nfs/dbraw/zinc/29/37/88/153293788.db2.gz FADIKQDQTQEGCJ-UHFFFAOYSA-N 1 2 278.377 2.326 10 0 CEAELO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cscn3)C2)no1 ZINC000195517983 153294109 /nfs/dbraw/zinc/29/41/09/153294109.db2.gz QHVCYNXZJGMINA-NSHDSACASA-N 1 2 278.381 2.289 10 0 CEAELO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cscn3)C2)no1 ZINC000195517983 153294111 /nfs/dbraw/zinc/29/41/11/153294111.db2.gz QHVCYNXZJGMINA-NSHDSACASA-N 1 2 278.381 2.289 10 0 CEAELO COC(=O)[C@H](C1CC1)[NH+]1CCC(c2nccs2)CC1 ZINC000359592158 155070354 /nfs/dbraw/zinc/07/03/54/155070354.db2.gz XLLKXSRVLSRSFJ-LBPRGKRZSA-N 1 2 280.393 2.274 10 0 CEAELO CCCC[C@H](C(=O)OC)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000171235436 162381139 /nfs/dbraw/zinc/38/11/39/162381139.db2.gz ONHNJHGHTPPLDG-CQSZACIVSA-N 1 2 279.384 2.321 10 0 CEAELO CC[C@@H]1CCCCCN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000119275704 286993138 /nfs/dbraw/zinc/99/31/38/286993138.db2.gz USHGNWMBEUWZCE-LSDHHAIUSA-N 1 2 297.443 2.071 10 0 CEAELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1nc2ccccc2n1C ZINC000091368579 287069261 /nfs/dbraw/zinc/06/92/61/287069261.db2.gz MFINFKHLRSQCQU-YPMHNXCESA-N 1 2 296.378 2.351 10 0 CEAELO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000178722550 165257994 /nfs/dbraw/zinc/25/79/94/165257994.db2.gz JTSJUVKWSKPKOP-GHMZBOCLSA-N 1 2 275.377 2.384 10 0 CEAELO COCc1noc(C[N@@H+]2CCC[C@H]2c2ccco2)n1 ZINC000182312074 165368853 /nfs/dbraw/zinc/36/88/53/165368853.db2.gz XBNVWPYFERJGJK-JTQLQIEISA-N 1 2 263.297 2.146 10 0 CEAELO COCc1noc(C[N@H+]2CCC[C@H]2c2ccco2)n1 ZINC000182312074 165368856 /nfs/dbraw/zinc/36/88/56/165368856.db2.gz XBNVWPYFERJGJK-JTQLQIEISA-N 1 2 263.297 2.146 10 0 CEAELO COc1cc(C=O)cc(Cl)c1OCCn1cc[nH+]c1 ZINC000020376805 171171435 /nfs/dbraw/zinc/17/14/35/171171435.db2.gz JPEPVFJFWKUGTF-UHFFFAOYSA-N 1 2 280.711 2.437 10 0 CEAELO Nc1[nH+]cccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000020483688 171223414 /nfs/dbraw/zinc/22/34/14/171223414.db2.gz KFTNIPBFJXMOIA-UHFFFAOYSA-N 1 2 277.711 2.335 10 0 CEAELO Cc1ccc(N)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000022210079 171373017 /nfs/dbraw/zinc/37/30/17/171373017.db2.gz SPLZAXPSOIZWHQ-UHFFFAOYSA-N 1 2 258.325 2.193 10 0 CEAELO C[NH+](C)CCCn1c(=O)c2sccc2[nH]c1=S ZINC000035206650 172051257 /nfs/dbraw/zinc/05/12/57/172051257.db2.gz GUBCJEHIRWTQTB-UHFFFAOYSA-N 1 2 269.395 2.072 10 0 CEAELO CC[C@@]([NH2+]C(C)C)(C(=O)OC)c1ccc(O)cc1 ZINC000037445684 173211897 /nfs/dbraw/zinc/21/18/97/173211897.db2.gz URPHNKZKKVHVOI-AWEZNQCLSA-N 1 2 251.326 2.169 10 0 CEAELO COC(=O)[C@@](C)(CCc1ccc(O)cc1)[NH2+]C(C)C ZINC000037445812 173213037 /nfs/dbraw/zinc/21/30/37/173213037.db2.gz FTWLFIXEYOEFFV-OAHLLOKOSA-N 1 2 265.353 2.255 10 0 CEAELO CCC[NH2+][C@](C)(C(=O)OC)c1ccc(OC)cc1 ZINC000037513242 173244337 /nfs/dbraw/zinc/24/43/37/173244337.db2.gz PTBIGEPVKWBMOB-AWEZNQCLSA-N 1 2 251.326 2.083 10 0 CEAELO CC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC000038067208 174079049 /nfs/dbraw/zinc/07/90/49/174079049.db2.gz XARVROFYRXKATM-ZWNOBZJWSA-N 1 2 251.326 2.297 10 0 CEAELO CC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000038067206 174079158 /nfs/dbraw/zinc/07/91/58/174079158.db2.gz XARVROFYRXKATM-MFKMUULPSA-N 1 2 251.326 2.297 10 0 CEAELO CC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccc2c(c1)CCO2 ZINC000038067322 174079196 /nfs/dbraw/zinc/07/91/96/174079196.db2.gz DFGBLDMUMMNJOS-QMTHXVAHSA-N 1 2 263.337 2.224 10 0 CEAELO CNc1[nH+]cnc(Nc2cccc3ncccc32)c1N ZINC000040707078 174379463 /nfs/dbraw/zinc/37/94/63/174379463.db2.gz MOAQGCGNWCTPGG-UHFFFAOYSA-N 1 2 266.308 2.392 10 0 CEAELO NC(=S)c1ccc[nH+]c1NCCc1ccc(O)cc1 ZINC000040737126 174389555 /nfs/dbraw/zinc/38/95/55/174389555.db2.gz LPHOBPIKWNRWOB-UHFFFAOYSA-N 1 2 273.361 2.076 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCCCC2)o1 ZINC000230644145 414846687 /nfs/dbraw/zinc/84/66/87/414846687.db2.gz PSTFLGDJUKRFOS-CHWSQXEVSA-N 1 2 279.384 2.425 10 0 CEAELO CCCC[NH+](CCCC)C[C@@](C)([NH2+]CC)C(=O)[O-] ZINC000045232668 175336019 /nfs/dbraw/zinc/33/60/19/175336019.db2.gz TXBMPPGHMQXGFF-CQSZACIVSA-N 1 2 258.406 2.341 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271871 175342644 /nfs/dbraw/zinc/34/26/44/175342644.db2.gz WLECEWNNTMUROG-OAHLLOKOSA-N 1 2 270.417 2.484 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271871 175342645 /nfs/dbraw/zinc/34/26/45/175342645.db2.gz WLECEWNNTMUROG-OAHLLOKOSA-N 1 2 270.417 2.484 10 0 CEAELO CCOC(=O)[C@](C)(CN(CC)CC(F)(F)F)[NH2+]C(C)C ZINC000045274081 175344326 /nfs/dbraw/zinc/34/43/26/175344326.db2.gz CUCKJKNQEAQECO-LBPRGKRZSA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@@](C)(CN(CC(F)(F)F)C(C)C)C(=O)OCC ZINC000045273918 175344350 /nfs/dbraw/zinc/34/43/50/175344350.db2.gz HOJCZYWUUCWSKB-LBPRGKRZSA-N 1 2 298.349 2.190 10 0 CEAELO CCCC[N@H+](C[C@](C)([NH2+]CC)C(=O)[O-])[C@@H](C)CC ZINC000045282496 175353050 /nfs/dbraw/zinc/35/30/50/175353050.db2.gz VWVLGXBRYFJGKG-JSGCOSHPSA-N 1 2 258.406 2.340 10 0 CEAELO CCCC[N@@H+](C[C@](C)([NH2+]CC)C(=O)[O-])[C@@H](C)CC ZINC000045282496 175353052 /nfs/dbraw/zinc/35/30/52/175353052.db2.gz VWVLGXBRYFJGKG-JSGCOSHPSA-N 1 2 258.406 2.340 10 0 CEAELO CCC[NH2+][C@@H](C[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045372074 175364527 /nfs/dbraw/zinc/36/45/27/175364527.db2.gz XAFCPTVRJHAMDO-ZDUSSCGKSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@@H](C[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045372074 175364528 /nfs/dbraw/zinc/36/45/28/175364528.db2.gz XAFCPTVRJHAMDO-ZDUSSCGKSA-N 1 2 256.390 2.094 10 0 CEAELO CC[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000046269775 175395088 /nfs/dbraw/zinc/39/50/88/175395088.db2.gz OUDKCTJMRTWNOR-HOCLYGCPSA-N 1 2 290.407 2.017 10 0 CEAELO C[C@H]1Oc2c(cccc2C(=O)NCc2[nH]cc[nH+]2)[C@@H]1C ZINC000070991695 176020045 /nfs/dbraw/zinc/02/00/45/176020045.db2.gz IZRGRRAXAGSAGZ-NXEZZACHSA-N 1 2 271.320 2.224 10 0 CEAELO C[C@H]1C[NH+](Cc2ccc(F)cc2C(N)=S)C[C@H](C)O1 ZINC000071265639 176098506 /nfs/dbraw/zinc/09/85/06/176098506.db2.gz OGSOFSHPWKLGTE-UWVGGRQHSA-N 1 2 282.384 2.069 10 0 CEAELO Cc1[nH+]c2cc(CC(=O)NCC(C)C)ccc2n1C ZINC000074974933 176644606 /nfs/dbraw/zinc/64/46/06/176644606.db2.gz LIKPQKZFYXNAFS-UHFFFAOYSA-N 1 2 259.353 2.196 10 0 CEAELO CCn1nccc1C[N@H+]1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000245510346 280246634 /nfs/dbraw/zinc/24/66/34/280246634.db2.gz WETFFLJHEUFVGV-SNPRPXQTSA-N 1 2 291.395 2.209 10 0 CEAELO CCn1nccc1C[N@@H+]1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000245510346 280246638 /nfs/dbraw/zinc/24/66/38/280246638.db2.gz WETFFLJHEUFVGV-SNPRPXQTSA-N 1 2 291.395 2.209 10 0 CEAELO O=C1CCCN1CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195359803 280251983 /nfs/dbraw/zinc/25/19/83/280251983.db2.gz ILVPBRAWWISRMK-LBPRGKRZSA-N 1 2 279.409 2.293 10 0 CEAELO O=C1CCCN1CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195359803 280251985 /nfs/dbraw/zinc/25/19/85/280251985.db2.gz ILVPBRAWWISRMK-LBPRGKRZSA-N 1 2 279.409 2.293 10 0 CEAELO C[C@H](CNC(=O)CC1CCC(C)(C)CC1)[NH+]1CCOCC1 ZINC000156987313 289205588 /nfs/dbraw/zinc/20/55/88/289205588.db2.gz CGRMQHDWYDKPEQ-CQSZACIVSA-N 1 2 296.455 2.430 10 0 CEAELO C[C@H]1CC[C@@H]([N@@H+]2CCC(C)(C)S(=O)(=O)CC2)C1 ZINC000336386066 300039623 /nfs/dbraw/zinc/03/96/23/300039623.db2.gz BWAPJHLMKPXOMA-NWDGAFQWSA-N 1 2 259.415 2.074 10 0 CEAELO C[C@H]1CC[C@@H]([N@H+]2CCC(C)(C)S(=O)(=O)CC2)C1 ZINC000336386066 300039624 /nfs/dbraw/zinc/03/96/24/300039624.db2.gz BWAPJHLMKPXOMA-NWDGAFQWSA-N 1 2 259.415 2.074 10 0 CEAELO Cn1nccc1CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275460640 303066494 /nfs/dbraw/zinc/06/64/94/303066494.db2.gz HCTIPHUGPBNWBQ-OAHLLOKOSA-N 1 2 285.395 2.359 10 0 CEAELO CC(C)[NH2+][C@@](C[N@@H+]1[C@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096109 519737507 /nfs/dbraw/zinc/73/75/07/519737507.db2.gz MIDOYYBXCCAGHZ-DVOMOZLQSA-N 1 2 282.428 2.481 10 0 CEAELO CC[NH2+][C@H](CCN(C)c1ccc(C)cc1C)C(=O)OC ZINC000062529025 520186358 /nfs/dbraw/zinc/18/63/58/520186358.db2.gz IWMDEAHXGZOCGI-CQSZACIVSA-N 1 2 278.396 2.281 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccc(CC)cc1)[NH2+]C ZINC000062548655 521248214 /nfs/dbraw/zinc/24/82/14/521248214.db2.gz HQDMRXBVSGZTGA-AWEZNQCLSA-N 1 2 265.353 2.169 10 0 CEAELO CC[NH+]1CCN(C[C@@H]2C[C@@H](C(C)C)CCC2=O)CC1 ZINC000054558838 521685811 /nfs/dbraw/zinc/68/58/11/521685811.db2.gz IZRAYLCUOFDCSZ-GJZGRUSLSA-N 1 2 266.429 2.265 10 0 CEAELO CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1ccco1)C(=O)OC ZINC000062771360 521981157 /nfs/dbraw/zinc/98/11/57/521981157.db2.gz QCYCSYHETVEPJD-GVXVVHGQSA-N 1 2 253.342 2.388 10 0 CEAELO C[NH2+][C@](CSCc1ccccc1)(C(=O)OC)C1CC1 ZINC000069185869 522532789 /nfs/dbraw/zinc/53/27/89/522532789.db2.gz RNTKHKIUTOWDAI-HNNXBMFYSA-N 1 2 279.405 2.461 10 0 CEAELO Brc1cccc(C[NH2+]Cc2c[nH]cn2)c1 ZINC000054765196 518220908 /nfs/dbraw/zinc/22/09/08/518220908.db2.gz YNCWLSGROFESMB-UHFFFAOYSA-N 1 2 266.142 2.462 10 0 CEAELO CC(C)(C)C1CC[NH+](Cc2nnsc2N)CC1 ZINC000050814474 518607408 /nfs/dbraw/zinc/60/74/08/518607408.db2.gz SEPRWMOHJBUDOC-UHFFFAOYSA-N 1 2 254.403 2.378 10 0 CEAELO CC(C)[NH2+][C@@](C[N@H+]1[C@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096109 519737505 /nfs/dbraw/zinc/73/75/05/519737505.db2.gz MIDOYYBXCCAGHZ-DVOMOZLQSA-N 1 2 282.428 2.481 10 0 CEAELO CCCNC(=O)[C@H](C)Nc1ccc2[nH+]cccc2c1N ZINC000049194474 519893507 /nfs/dbraw/zinc/89/35/07/519893507.db2.gz FWVDWMNBZHKSAR-JTQLQIEISA-N 1 2 272.352 2.144 10 0 CEAELO CCC[NH2+][C@@](COC(C)C)(C(=O)OCC)C1CC1 ZINC000069196339 520055606 /nfs/dbraw/zinc/05/56/06/520055606.db2.gz WIIPDBFEEQUTMM-CQSZACIVSA-N 1 2 257.374 2.123 10 0 CEAELO CC[NH2+][C@@H](CCO[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000062543802 520089952 /nfs/dbraw/zinc/08/99/52/520089952.db2.gz YBGVSDRMMNPVHG-RWMBFGLXSA-N 1 2 257.374 2.123 10 0 CEAELO CCC[NH2+][C@](C)(CC[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000050912232 520106014 /nfs/dbraw/zinc/10/60/14/520106014.db2.gz WFYIQJHOBQPASG-MRXNPFEDSA-N 1 2 276.380 2.235 10 0 CEAELO CC[NH2+][C@H](CCn1nc(C)c(Cl)c1C)C(=O)OCC ZINC000062538152 520196891 /nfs/dbraw/zinc/19/68/91/520196891.db2.gz GEHHESWEZMEHRQ-LLVKDONJSA-N 1 2 287.791 2.085 10 0 CEAELO CC[NH2+][C@H](COCC1CCCCC1)C(=O)OCC ZINC000052157169 520199302 /nfs/dbraw/zinc/19/93/02/520199302.db2.gz IXZJPKCRBRQFIU-CYBMUJFWSA-N 1 2 257.374 2.125 10 0 CEAELO CC[NH2+][C@](C[N@H+](CC)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069091249 520244827 /nfs/dbraw/zinc/24/48/27/520244827.db2.gz ZZJVXJNALGTZGO-INIZCTEOSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@](C[N@@H+](CC)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069091249 520244835 /nfs/dbraw/zinc/24/48/35/520244835.db2.gz ZZJVXJNALGTZGO-INIZCTEOSA-N 1 2 282.428 2.484 10 0 CEAELO CCOC(=O)[C@@](COc1ccc(OC)cc1)([NH2+]C)C1CC1 ZINC000069197761 521169652 /nfs/dbraw/zinc/16/96/52/521169652.db2.gz GNMASPOTGYLAPJ-INIZCTEOSA-N 1 2 293.363 2.005 10 0 CEAELO CCOc1ccc(OCC[C@@H]([NH2+]C(C)C)C(=O)OC)cc1 ZINC000062547686 521176739 /nfs/dbraw/zinc/17/67/39/521176739.db2.gz OVQWFNMZTHARRC-OAHLLOKOSA-N 1 2 295.379 2.394 10 0 CEAELO CCc1ccccc1NC(=O)c1cccc(NN)[nH+]1 ZINC000051112187 521906415 /nfs/dbraw/zinc/90/64/15/521906415.db2.gz KQEBOYIPUOCCKS-UHFFFAOYSA-N 1 2 256.309 2.182 10 0 CEAELO C[NH2+][C@@](C)(CS[C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000054695992 522414276 /nfs/dbraw/zinc/41/42/76/522414276.db2.gz QAWPAAWMSPNOKR-WZRBSPASSA-N 1 2 259.415 2.449 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)Oc1cccc(OC)c1)C(=O)OC ZINC000068655604 522416484 /nfs/dbraw/zinc/41/64/84/522416484.db2.gz ZWDQELPZCHQSNU-ABAIWWIYSA-N 1 2 281.352 2.004 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)OCCOc1ccccc1)C(=O)OC ZINC000068653742 522419950 /nfs/dbraw/zinc/41/99/50/522419950.db2.gz WFPWFOVHLAPNEW-BBRMVZONSA-N 1 2 295.379 2.012 10 0 CEAELO C[NH2+][C@](C)(CCCn1cc[nH+]c1-c1ccccc1)C(=O)[O-] ZINC000045437720 522516014 /nfs/dbraw/zinc/51/60/14/522516014.db2.gz RDUXRPXTHRTKOI-MRXNPFEDSA-N 1 2 287.363 2.393 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)Oc1ccc2c(c1)CCC2)C(=O)OC ZINC000068654524 522523459 /nfs/dbraw/zinc/52/34/59/522523459.db2.gz RAPWEZHEIOSOGV-YVEFUNNKSA-N 1 2 291.391 2.484 10 0 CEAELO CNc1cc(Cn2c3ccccc3nc(C)c2=O)cc[nH+]1 ZINC000052733978 522567029 /nfs/dbraw/zinc/56/70/29/522567029.db2.gz RXEDNXMSMNBHJY-UHFFFAOYSA-N 1 2 280.331 2.190 10 0 CEAELO C[N@H+](CC1CCCCC1)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069183912 522655922 /nfs/dbraw/zinc/65/59/22/522655922.db2.gz PVHFQTGJTLANTM-KRWDZBQOSA-N 1 2 294.439 2.484 10 0 CEAELO C[N@@H+](CC1CCCCC1)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069183912 522655932 /nfs/dbraw/zinc/65/59/32/522655932.db2.gz PVHFQTGJTLANTM-KRWDZBQOSA-N 1 2 294.439 2.484 10 0 CEAELO CC[C@@H]1CCC[N@H+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069099929 523250705 /nfs/dbraw/zinc/25/07/05/523250705.db2.gz BPSXEJDMPVVCDD-MLGOLLRUSA-N 1 2 280.412 2.094 10 0 CEAELO CC[C@@H]1CCC[N@@H+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069099929 523250714 /nfs/dbraw/zinc/25/07/14/523250714.db2.gz BPSXEJDMPVVCDD-MLGOLLRUSA-N 1 2 280.412 2.094 10 0 CEAELO COCc1noc(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000182548019 523265096 /nfs/dbraw/zinc/26/50/96/523265096.db2.gz RMYCTFQCAZQKKI-QMMMGPOBSA-N 1 2 253.327 2.128 10 0 CEAELO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1C(N)=S ZINC000069402741 523507121 /nfs/dbraw/zinc/50/71/21/523507121.db2.gz MMEQOQSBYCFCJL-GXFFZTMASA-N 1 2 296.411 2.459 10 0 CEAELO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(F)ccc1C(N)=S ZINC000069402741 523507125 /nfs/dbraw/zinc/50/71/25/523507125.db2.gz MMEQOQSBYCFCJL-GXFFZTMASA-N 1 2 296.411 2.459 10 0 CEAELO C[N@@H+](Cc1nc2sccc2c(N)n1)C[C@@H]1CCCCO1 ZINC000050815043 523570453 /nfs/dbraw/zinc/57/04/53/523570453.db2.gz BUKOUWIHSPIZPX-JTQLQIEISA-N 1 2 292.408 2.274 10 0 CEAELO C[N@H+](Cc1nc2sccc2c(N)n1)C[C@@H]1CCCCO1 ZINC000050815043 523570463 /nfs/dbraw/zinc/57/04/63/523570463.db2.gz BUKOUWIHSPIZPX-JTQLQIEISA-N 1 2 292.408 2.274 10 0 CEAELO COC(=O)[C@@H](CCOc1cccc(C)c1)[NH2+]C(C)C ZINC000062549755 523573999 /nfs/dbraw/zinc/57/39/99/523573999.db2.gz QVPJZLASRGPOJA-CQSZACIVSA-N 1 2 265.353 2.304 10 0 CEAELO COC(=O)[C@@H](CCOc1ccc(OC)cc1)[NH2+]C(C)C ZINC000062550668 523574607 /nfs/dbraw/zinc/57/46/07/523574607.db2.gz QRNWNEXVJZSXTA-CQSZACIVSA-N 1 2 281.352 2.004 10 0 CEAELO CCc1c(C)nn([C@H](C)C[C@](C)([NH2+]C)C(=O)OC)c1C ZINC000068649199 523716288 /nfs/dbraw/zinc/71/62/88/523716288.db2.gz ITCSHQLZWXLRPL-BMIGLBTASA-N 1 2 281.400 2.165 10 0 CEAELO C[N@@H+]1CCC[C@@H](Nc2[nH+]c3c(cc2C(=O)[O-])CCCC3)C1 ZINC000054529345 523817862 /nfs/dbraw/zinc/81/78/62/523817862.db2.gz YXDAKRFOCPCXFW-GFCCVEGCSA-N 1 2 289.379 2.165 10 0 CEAELO C[N@H+]1CCC[C@@H](Nc2[nH+]c3c(cc2C(=O)[O-])CCCC3)C1 ZINC000054529345 523817866 /nfs/dbraw/zinc/81/78/66/523817866.db2.gz YXDAKRFOCPCXFW-GFCCVEGCSA-N 1 2 289.379 2.165 10 0 CEAELO CC[C@H](C)CN(C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061537175 523871405 /nfs/dbraw/zinc/87/14/05/523871405.db2.gz QPIOAZZSCLVMAE-VIFPVBQESA-N 1 2 280.763 2.193 10 0 CEAELO C[C@H](C[NH+]1CCCCC1)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000049502559 524333224 /nfs/dbraw/zinc/33/32/24/524333224.db2.gz RWEXDUHRNGDKNS-LLVKDONJSA-N 1 2 263.341 2.066 10 0 CEAELO COc1ccc(N2N=C(C(C)C)[C@H](CC[NH3+])C2=O)cc1 ZINC000069505897 524448150 /nfs/dbraw/zinc/44/81/50/524448150.db2.gz ATHUWCVAZOCSEC-ZDUSSCGKSA-N 1 2 275.352 2.019 10 0 CEAELO C[C@H](C[C@](C)([NH2+]C1CC1)C(=O)[O-])[NH+]1Cc2ccccc2C1 ZINC000068641961 524652752 /nfs/dbraw/zinc/65/27/52/524652752.db2.gz PFLUYZXUMWQOGJ-PXAZEXFGSA-N 1 2 288.391 2.376 10 0 CEAELO Cc1ccc(N2N=C(C(C)C)[C@H](CC[NH3+])C2=O)cc1 ZINC000069506150 524988405 /nfs/dbraw/zinc/98/84/05/524988405.db2.gz FAXSRJYAZMFKRZ-ZDUSSCGKSA-N 1 2 259.353 2.319 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1N[C@@H]1CCCSC1 ZINC000061574154 525029106 /nfs/dbraw/zinc/02/91/06/525029106.db2.gz FAKXRIIGWYSXQZ-SNVBAGLBSA-N 1 2 267.398 2.464 10 0 CEAELO C[C@]([NH3+])(c1nc(Cc2ccncc2)no1)c1ccccc1 ZINC000053129901 525149225 /nfs/dbraw/zinc/14/92/25/525149225.db2.gz RQZKMZPFMNGMQY-MRXNPFEDSA-N 1 2 280.331 2.278 10 0 CEAELO Cc1cc(NC(=O)c2cc3ccccc3c(NN)[nH+]2)on1 ZINC000051089043 525241976 /nfs/dbraw/zinc/24/19/76/525241976.db2.gz ADOCMZXNQKRNRD-UHFFFAOYSA-N 1 2 283.291 2.069 10 0 CEAELO C[C@H](Nc1nc(Cl)nc(-n2cc[nH+]c2)n1)c1ccco1 ZINC000061537649 525678962 /nfs/dbraw/zinc/67/89/62/525678962.db2.gz RKJYZYPNZBYDSB-QMMMGPOBSA-N 1 2 290.714 2.477 10 0 CEAELO Cc1ccnc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000184151934 525679477 /nfs/dbraw/zinc/67/94/77/525679477.db2.gz LLKNUAXEQSWUOT-CYBMUJFWSA-N 1 2 285.351 2.283 10 0 CEAELO Cc1ccc2c(c1)CCCN2C(=O)c1cccc(NN)[nH+]1 ZINC000051092548 526144627 /nfs/dbraw/zinc/14/46/27/526144627.db2.gz WRKLYQOCBKYVJS-UHFFFAOYSA-N 1 2 282.347 2.269 10 0 CEAELO Cc1ccc(C(=O)[C@H](C)[N@@H+](CC(N)=O)C(C)C)cc1C ZINC000049138216 526240723 /nfs/dbraw/zinc/24/07/23/526240723.db2.gz NPDPQTOYDZEKSG-ZDUSSCGKSA-N 1 2 276.380 2.070 10 0 CEAELO Cc1ccc(C(=O)[C@H](C)[N@H+](CC(N)=O)C(C)C)cc1C ZINC000049138216 526240724 /nfs/dbraw/zinc/24/07/24/526240724.db2.gz NPDPQTOYDZEKSG-ZDUSSCGKSA-N 1 2 276.380 2.070 10 0 CEAELO O=C(NCCCn1cc[nH+]c1)c1cccc2c1NCCC2 ZINC000050957614 526291497 /nfs/dbraw/zinc/29/14/97/526291497.db2.gz SJHYQDIZNGAVHJ-UHFFFAOYSA-N 1 2 284.363 2.061 10 0 CEAELO Cc1noc(C[NH2+]Cc2cccc3cnccc32)n1 ZINC000061125410 526621667 /nfs/dbraw/zinc/62/16/67/526621667.db2.gz OIOYGCZNHHQQLU-UHFFFAOYSA-N 1 2 254.293 2.216 10 0 CEAELO Cc1nc(C[NH2+]Cc2ccc3c(c2)OCO3)oc1C ZINC000061674873 526889374 /nfs/dbraw/zinc/88/93/74/526889374.db2.gz KTSRTPDKYGLHJD-UHFFFAOYSA-N 1 2 260.293 2.310 10 0 CEAELO Cc1[nH]c(CNc2ccc(C(=O)NC3CC3)cc2)c[nH+]1 ZINC000054821807 526897702 /nfs/dbraw/zinc/89/77/02/526897702.db2.gz TVYFYFCKWYTIJA-UHFFFAOYSA-N 1 2 270.336 2.222 10 0 CEAELO Cc1[nH]cc(CNc2ccc(C(=O)NC3CC3)cc2)[nH+]1 ZINC000054821807 526897706 /nfs/dbraw/zinc/89/77/06/526897706.db2.gz TVYFYFCKWYTIJA-UHFFFAOYSA-N 1 2 270.336 2.222 10 0 CEAELO Cc1nc(Cc2noc([C@H]([NH3+])c3ccccc3)n2)cs1 ZINC000055273468 526932342 /nfs/dbraw/zinc/93/23/42/526932342.db2.gz CWUBVEFTDWBWIR-CYBMUJFWSA-N 1 2 286.360 2.473 10 0 CEAELO [NH3+]c1ccc2c(c1)CCN2CCOCC(F)(F)F ZINC000049311267 527507587 /nfs/dbraw/zinc/50/75/87/527507587.db2.gz AFJWWTXHSCPMEO-UHFFFAOYSA-N 1 2 260.259 2.210 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)c1ccc2c(c1)CCC2 ZINC000062725862 527537208 /nfs/dbraw/zinc/53/72/08/527537208.db2.gz DWWZJOHCRSYDRO-UHFFFAOYSA-N 1 2 253.305 2.405 10 0 CEAELO Nc1nc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cs1 ZINC000055185889 527547112 /nfs/dbraw/zinc/54/71/12/527547112.db2.gz HZKCTDDSRLESPG-UHFFFAOYSA-N 1 2 285.332 2.163 10 0 CEAELO CCOC(=O)[C@H](C)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180662440 527964083 /nfs/dbraw/zinc/96/40/83/527964083.db2.gz ZBLVQLXQWQYJFY-STQMWFEESA-N 1 2 287.363 2.475 10 0 CEAELO COC(=O)[C@H]([NH2+]C[Si](C)(C)C)c1ccccc1 ZINC000203880271 631542349 /nfs/dbraw/zinc/54/23/49/631542349.db2.gz DVFWCJMWCPVOQB-GFCCVEGCSA-N 1 2 251.402 2.368 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC000120909793 647612356 /nfs/dbraw/zinc/61/23/56/647612356.db2.gz FACMQVYJULVJRR-RBZYPMLTSA-N 1 2 271.307 2.107 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC000120909793 647612361 /nfs/dbraw/zinc/61/23/61/647612361.db2.gz FACMQVYJULVJRR-RBZYPMLTSA-N 1 2 271.307 2.107 10 0 CEAELO Fc1cc(Br)cnc1N1CCn2cc[nH+]c2C1 ZINC000229536045 539166942 /nfs/dbraw/zinc/16/69/42/539166942.db2.gz UZOCXRRSHZGHMQ-UHFFFAOYSA-N 1 2 297.131 2.200 10 0 CEAELO CCc1nnc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)[nH]1 ZINC000129098656 529700932 /nfs/dbraw/zinc/70/09/32/529700932.db2.gz SHOSSNIECATNMR-NSHDSACASA-N 1 2 278.381 2.002 10 0 CEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)[nH]1 ZINC000129098656 529700935 /nfs/dbraw/zinc/70/09/35/529700935.db2.gz SHOSSNIECATNMR-NSHDSACASA-N 1 2 278.381 2.002 10 0 CEAELO Cc1nc([C@H]([NH3+])c2cccc(C(F)(F)F)c2)no1 ZINC000036762330 343424609 /nfs/dbraw/zinc/42/46/09/343424609.db2.gz NLWBWOXSLLEVAI-SECBINFHSA-N 1 2 257.215 2.445 10 0 CEAELO COc1cc(-c2[nH+]cn3c4cc[nH]c4ncc23)ccn1 ZINC000117573692 344289021 /nfs/dbraw/zinc/28/90/21/344289021.db2.gz ZQENRCVPQALSMV-UHFFFAOYSA-N 1 2 265.276 2.281 10 0 CEAELO CCOC(=O)C1=C(O)C(C)(C)C[N@H+](Cc2ccccc2)C1 ZINC000140105799 344396573 /nfs/dbraw/zinc/39/65/73/344396573.db2.gz LDMQAVIBTBSPFI-CQSZACIVSA-N 1 2 289.375 2.277 10 0 CEAELO CCOC(=O)C1=C(O)C(C)(C)C[N@@H+](Cc2ccccc2)C1 ZINC000140105799 344396576 /nfs/dbraw/zinc/39/65/76/344396576.db2.gz LDMQAVIBTBSPFI-CQSZACIVSA-N 1 2 289.375 2.277 10 0 CEAELO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC(C)(C)C1=O ZINC000140105799 344396578 /nfs/dbraw/zinc/39/65/78/344396578.db2.gz LDMQAVIBTBSPFI-CQSZACIVSA-N 1 2 289.375 2.277 10 0 CEAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC(C)(C)C1=O ZINC000140105799 344396582 /nfs/dbraw/zinc/39/65/82/344396582.db2.gz LDMQAVIBTBSPFI-CQSZACIVSA-N 1 2 289.375 2.277 10 0 CEAELO C[C@]12CCC[N@@H+]1Cc1[nH][nH]c(=O)c3cc(F)cc4nc2c1-c43 ZINC000150196116 344416375 /nfs/dbraw/zinc/41/63/75/344416375.db2.gz DENYZIUJOTUUNY-MRXNPFEDSA-N 1 2 298.321 2.368 10 0 CEAELO C[C@]12CCC[N@H+]1Cc1[nH][nH]c(=O)c3cc(F)cc4nc2c1-c43 ZINC000150196116 344416376 /nfs/dbraw/zinc/41/63/76/344416376.db2.gz DENYZIUJOTUUNY-MRXNPFEDSA-N 1 2 298.321 2.368 10 0 CEAELO O=C1CCCC[C@@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000050132444 362405874 /nfs/dbraw/zinc/40/58/74/362405874.db2.gz GYJOCBMXGGXNSW-INIZCTEOSA-N 1 2 272.392 2.316 10 0 CEAELO O=C1CCCC[C@@H]1[NH+]1CCN(Cc2ccccc2)CC1 ZINC000050132444 362405879 /nfs/dbraw/zinc/40/58/79/362405879.db2.gz GYJOCBMXGGXNSW-INIZCTEOSA-N 1 2 272.392 2.316 10 0 CEAELO COc1ncc(Cl)c(/C=C/[NH+](C)C)c1[N+](=O)[O-] ZINC000226123816 344548673 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C[C@@H]1CCCN(c2cc(NC[C@H]3CCCO3)nc[nH+]2)C1 ZINC000243384263 131082671 /nfs/dbraw/zinc/08/26/71/131082671.db2.gz MILRWMWKKDALCV-CHWSQXEVSA-N 1 2 276.384 2.304 10 0 CEAELO CC[C@@H]1c2cccn2CC[N@H+]1Cc1cccnc1N ZINC000077319696 394622159 /nfs/dbraw/zinc/62/21/59/394622159.db2.gz PJSPGRKSRYZZRR-CYBMUJFWSA-N 1 2 256.353 2.432 10 0 CEAELO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1cccnc1N ZINC000077319696 394622160 /nfs/dbraw/zinc/62/21/60/394622160.db2.gz PJSPGRKSRYZZRR-CYBMUJFWSA-N 1 2 256.353 2.432 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H]1CCCO1)C2 ZINC000106371975 394724764 /nfs/dbraw/zinc/72/47/64/394724764.db2.gz VBJIEDXQTRUKGN-LBPRGKRZSA-N 1 2 263.385 2.081 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@@H]1CCCO1)C2 ZINC000106371975 394724769 /nfs/dbraw/zinc/72/47/69/394724769.db2.gz VBJIEDXQTRUKGN-LBPRGKRZSA-N 1 2 263.385 2.081 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000106371975 394724772 /nfs/dbraw/zinc/72/47/72/394724772.db2.gz VBJIEDXQTRUKGN-LBPRGKRZSA-N 1 2 263.385 2.081 10 0 CEAELO Cc1nc([C@H]2C[N@H+](Cc3cc(C)ccc3C)CCO2)n[nH]1 ZINC000173671845 395115571 /nfs/dbraw/zinc/11/55/71/395115571.db2.gz ZQIIMHOUOQVFLO-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@H]2C[N@@H+](Cc3cc(C)ccc3C)CCO2)n[nH]1 ZINC000173671845 395115572 /nfs/dbraw/zinc/11/55/72/395115572.db2.gz ZQIIMHOUOQVFLO-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO CSC1(CNC(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000194989106 395455993 /nfs/dbraw/zinc/45/59/93/395455993.db2.gz BUHGRSYRFULBSA-UHFFFAOYSA-N 1 2 296.440 2.234 10 0 CEAELO C[C@H](O)C[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000192974935 153223902 /nfs/dbraw/zinc/22/39/02/153223902.db2.gz HLYZNNYNYHYYRY-QWRGUYRKSA-N 1 2 284.425 2.195 10 0 CEAELO C[C@H](O)C[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000192974935 153223905 /nfs/dbraw/zinc/22/39/05/153223905.db2.gz HLYZNNYNYHYYRY-QWRGUYRKSA-N 1 2 284.425 2.195 10 0 CEAELO CCc1csc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)OC)C2)n1 ZINC000195443285 153288906 /nfs/dbraw/zinc/28/89/06/153288906.db2.gz LPJNEIQGRHVJMK-WDEREUQCSA-N 1 2 282.409 2.446 10 0 CEAELO CCc1csc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)OC)C2)n1 ZINC000195443285 153288910 /nfs/dbraw/zinc/28/89/10/153288910.db2.gz LPJNEIQGRHVJMK-WDEREUQCSA-N 1 2 282.409 2.446 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1cccc(F)c1 ZINC000195519692 153293473 /nfs/dbraw/zinc/29/34/73/153293473.db2.gz FHCZOJCWPMVLNY-UHFFFAOYSA-N 1 2 282.340 2.157 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1ccc(F)cc1 ZINC000195519693 153294051 /nfs/dbraw/zinc/29/40/51/153294051.db2.gz DQROQGPKLFQNLV-UHFFFAOYSA-N 1 2 282.340 2.157 10 0 CEAELO CC(C)N(C)c1cccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263199761 154033952 /nfs/dbraw/zinc/03/39/52/154033952.db2.gz IVUHKSAJGIUZGT-ZDUSSCGKSA-N 1 2 297.349 2.467 10 0 CEAELO C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263289380 154048612 /nfs/dbraw/zinc/04/86/12/154048612.db2.gz VMPVZMNUYJBXOV-UTUOFQBUSA-N 1 2 274.355 2.316 10 0 CEAELO COC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CC(C)(C)O1 ZINC000285093447 196195222 /nfs/dbraw/zinc/19/52/22/196195222.db2.gz QGKRWMFSXZDLAT-LLVKDONJSA-N 1 2 275.352 2.193 10 0 CEAELO COC(=O)[C@@H]([NH3+])c1ccc(Oc2cccnc2)cc1 ZINC000035630200 172311658 /nfs/dbraw/zinc/31/16/58/172311658.db2.gz KQVQKEJHKGFEQO-ZDUSSCGKSA-N 1 2 258.277 2.047 10 0 CEAELO Cc1ccc(SCC[NH+]2CCOCC2)c(N)c1 ZINC000037193220 173022418 /nfs/dbraw/zinc/02/24/18/173022418.db2.gz UEOKLNATPJQFAS-UHFFFAOYSA-N 1 2 252.383 2.002 10 0 CEAELO C=COCCC[NH2+][C@H](c1ccco1)c1nccn1C ZINC000037239174 173055830 /nfs/dbraw/zinc/05/58/30/173055830.db2.gz VRTDJVVOLGDYHS-CYBMUJFWSA-N 1 2 261.325 2.242 10 0 CEAELO C[C@@H]1CCC[N@H+](CC(=O)c2cc(F)ccc2O)C1 ZINC000037332609 173133167 /nfs/dbraw/zinc/13/31/67/173133167.db2.gz OFCPAZOEMABAGY-SNVBAGLBSA-N 1 2 251.301 2.446 10 0 CEAELO C[C@@H]1CCC[N@@H+](CC(=O)c2cc(F)ccc2O)C1 ZINC000037332609 173133171 /nfs/dbraw/zinc/13/31/71/173133171.db2.gz OFCPAZOEMABAGY-SNVBAGLBSA-N 1 2 251.301 2.446 10 0 CEAELO CCCCC[N@H+](C)CC(=O)c1ccc(O)cc1O ZINC000037336786 173138003 /nfs/dbraw/zinc/13/80/03/173138003.db2.gz UEGABHLNYMABBT-UHFFFAOYSA-N 1 2 251.326 2.403 10 0 CEAELO CCCCC[N@@H+](C)CC(=O)c1ccc(O)cc1O ZINC000037336786 173138005 /nfs/dbraw/zinc/13/80/05/173138005.db2.gz UEGABHLNYMABBT-UHFFFAOYSA-N 1 2 251.326 2.403 10 0 CEAELO COc1cccc(NS(=O)(=O)c2ccc(C[NH3+])s2)c1 ZINC000037338126 173139509 /nfs/dbraw/zinc/13/95/09/173139509.db2.gz FLNGCVIUBKEKME-UHFFFAOYSA-N 1 2 298.389 2.016 10 0 CEAELO CC[NH2+][C@](CC)(C(=O)OC)c1ccc(OC)cc1 ZINC000037446701 173213599 /nfs/dbraw/zinc/21/35/99/173213599.db2.gz VMAYNXPGYGCFGB-AWEZNQCLSA-N 1 2 251.326 2.083 10 0 CEAELO CCOc1cc(C[NH2+]Cc2nc(C)no2)ccc1OC ZINC000038034352 174032697 /nfs/dbraw/zinc/03/26/97/174032697.db2.gz XRNIPFCXHJEAMC-UHFFFAOYSA-N 1 2 277.324 2.075 10 0 CEAELO Cc1ccc2nc(Nc3nc[nH+]c(N)c3N)sc2c1 ZINC000040723950 174386128 /nfs/dbraw/zinc/38/61/28/174386128.db2.gz FNHJCBHBXMCAFC-UHFFFAOYSA-N 1 2 272.337 2.303 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231089 175334989 /nfs/dbraw/zinc/33/49/89/175334989.db2.gz IHDWSOLGKXKHAN-AWEZNQCLSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231089 175334992 /nfs/dbraw/zinc/33/49/92/175334992.db2.gz IHDWSOLGKXKHAN-AWEZNQCLSA-N 1 2 256.390 2.094 10 0 CEAELO CC[N@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])c1ccccc1 ZINC000045379774 175369331 /nfs/dbraw/zinc/36/93/31/175369331.db2.gz KDRAKFSIDSCBEQ-OAHLLOKOSA-N 1 2 264.369 2.485 10 0 CEAELO CC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])c1ccccc1 ZINC000045379774 175369332 /nfs/dbraw/zinc/36/93/32/175369332.db2.gz KDRAKFSIDSCBEQ-OAHLLOKOSA-N 1 2 264.369 2.485 10 0 CEAELO c1ccc2c(c1)OC[C@H]2c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000070393284 175908159 /nfs/dbraw/zinc/90/81/59/175908159.db2.gz IJTFIBRYIIYHPN-NEPJUHHUSA-N 1 2 271.320 2.409 10 0 CEAELO COC(=O)[C@]1([NH2+]C2CCCCCC2)CCCOC1 ZINC000070465443 175945918 /nfs/dbraw/zinc/94/59/18/175945918.db2.gz WTKXZLVYIUJDOY-AWEZNQCLSA-N 1 2 255.358 2.021 10 0 CEAELO COC(=O)[C@@](C)(Cc1ccc(OC)cc1)[NH2+]CC1CC1 ZINC000071169765 176050326 /nfs/dbraw/zinc/05/03/26/176050326.db2.gz LTNMSJZJCMFRDO-MRXNPFEDSA-N 1 2 277.364 2.169 10 0 CEAELO Cn1ccnc1C[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000071273137 176105071 /nfs/dbraw/zinc/10/50/71/176105071.db2.gz NODSFEAKHCLZRN-UHFFFAOYSA-N 1 2 279.727 2.092 10 0 CEAELO Cn1cc([C@H](c2c[nH]c3ccccc32)[NH+]2CCOCC2)cn1 ZINC000071704263 176248140 /nfs/dbraw/zinc/24/81/40/176248140.db2.gz BCVCRROMXJZFJE-QGZVFWFLSA-N 1 2 296.374 2.323 10 0 CEAELO Cc1ccccc1CN(C)C(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000077368914 177258949 /nfs/dbraw/zinc/25/89/49/177258949.db2.gz BRDYSNLRLABQHJ-GJZGRUSLSA-N 1 2 290.407 2.063 10 0 CEAELO CC(C)CCC[C@@H](C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000077930241 177311283 /nfs/dbraw/zinc/31/12/83/177311283.db2.gz FTVHMSIVXJEHAW-CABCVRRESA-N 1 2 299.459 2.221 10 0 CEAELO CC(C)=CC[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000232628415 277326512 /nfs/dbraw/zinc/32/65/12/277326512.db2.gz MXHMBRUIIHQTMO-GFCCVEGCSA-N 1 2 251.351 2.071 10 0 CEAELO Cc1cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)ccc1Cl ZINC000189093758 280142599 /nfs/dbraw/zinc/14/25/99/280142599.db2.gz MBHFFQJRKDXAPS-NSHDSACASA-N 1 2 266.772 2.359 10 0 CEAELO Cc1cc(C[N@H+]2CCCNC(=O)[C@@H]2C)ccc1Cl ZINC000189093758 280142601 /nfs/dbraw/zinc/14/26/01/280142601.db2.gz MBHFFQJRKDXAPS-NSHDSACASA-N 1 2 266.772 2.359 10 0 CEAELO O=C1NCCNc2c3cc(C(F)(F)F)ccc3[nH+]cc21 ZINC000053994725 280290189 /nfs/dbraw/zinc/29/01/89/280290189.db2.gz OSEKJQBXWJOOKC-UHFFFAOYSA-N 1 2 281.237 2.409 10 0 CEAELO Fc1ccc2c(I)[nH+]cn2c1 ZINC000095835735 294750492 /nfs/dbraw/zinc/75/04/92/294750492.db2.gz ZKEUTQDDFMTFES-UHFFFAOYSA-N 1 2 262.025 2.078 10 0 CEAELO CC[NH2+][C@](CSc1ccccn1)(C(=O)OC)C1CC1 ZINC000069187183 520252095 /nfs/dbraw/zinc/25/20/95/520252095.db2.gz BUBUFLVSFBBHRJ-AWEZNQCLSA-N 1 2 280.393 2.105 10 0 CEAELO CCOC(=O)[C@@](COCCCC(C)C)([NH2+]C)C1CC1 ZINC000069195795 521168024 /nfs/dbraw/zinc/16/80/24/521168024.db2.gz UYGGADCLUIFAOE-HNNXBMFYSA-N 1 2 271.401 2.371 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)n1ccc(C)n1)[NH2+]C1CC1 ZINC000068650545 521322081 /nfs/dbraw/zinc/32/20/81/521322081.db2.gz FXEHQNMQXJIOEZ-DOMZBBRYSA-N 1 2 279.384 2.216 10 0 CEAELO CCOC(=O)[C@](C)(C[C@H](C)N(CC)CC(F)(F)F)[NH2+]C ZINC000068629643 521325091 /nfs/dbraw/zinc/32/50/91/521325091.db2.gz LOBIHJLCPGNFHX-JQWIXIFHSA-N 1 2 298.349 2.190 10 0 CEAELO CCOC(=O)[C@](COC(C)(C)CC)([NH2+]C)C1CC1 ZINC000069195836 521340915 /nfs/dbraw/zinc/34/09/15/521340915.db2.gz BDCVSPMPYSVFET-CQSZACIVSA-N 1 2 257.374 2.123 10 0 CEAELO CC(C)(C)C1=NN(c2ccncc2)C(=O)[C@H]1CCC[NH3+] ZINC000069506893 518601648 /nfs/dbraw/zinc/60/16/48/518601648.db2.gz ZYTAYVPKPYJLFJ-LBPRGKRZSA-N 1 2 274.368 2.185 10 0 CEAELO CC(C)C[N@H+](C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CC1 ZINC000069132022 519717935 /nfs/dbraw/zinc/71/79/35/519717935.db2.gz OGRYLSFCLIYDCL-INIZCTEOSA-N 1 2 280.412 2.092 10 0 CEAELO CC(C)C[N@@H+](C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CC1 ZINC000069132022 519717937 /nfs/dbraw/zinc/71/79/37/519717937.db2.gz OGRYLSFCLIYDCL-INIZCTEOSA-N 1 2 280.412 2.092 10 0 CEAELO CC(C)[NH2+][C@@](C[N@H+](C)CC1CCCC1)(C(=O)[O-])C1CC1 ZINC000069233266 519737026 /nfs/dbraw/zinc/73/70/26/519737026.db2.gz FDIYLHKUARSWMU-MRXNPFEDSA-N 1 2 282.428 2.340 10 0 CEAELO CC(C)[NH2+][C@@](C[N@@H+](C)CC1CCCC1)(C(=O)[O-])C1CC1 ZINC000069233266 519737028 /nfs/dbraw/zinc/73/70/28/519737028.db2.gz FDIYLHKUARSWMU-MRXNPFEDSA-N 1 2 282.428 2.340 10 0 CEAELO CC(C)[NH2+][C@](C[N@@H+]1CCCC1(C)C)(C(=O)[O-])C1CC1 ZINC000069232878 519740574 /nfs/dbraw/zinc/74/05/74/519740574.db2.gz BVUWETYRNSQWPP-HNNXBMFYSA-N 1 2 268.401 2.092 10 0 CEAELO CC(C)[NH2+][C@](C[N@H+]1CCCC1(C)C)(C(=O)[O-])C1CC1 ZINC000069232878 519740576 /nfs/dbraw/zinc/74/05/76/519740576.db2.gz BVUWETYRNSQWPP-HNNXBMFYSA-N 1 2 268.401 2.092 10 0 CEAELO CCCNC(=O)[C@H](C)NC1=[NH+][C@@H](CC(C)C)CS1 ZINC000049221953 519892437 /nfs/dbraw/zinc/89/24/37/519892437.db2.gz BQGULSLAIFIJBV-QWRGUYRKSA-N 1 2 271.430 2.008 10 0 CEAELO CCC[NH2+][C@@](C)(COc1cc(F)cc(F)c1)C(=O)OC ZINC000054933894 520038569 /nfs/dbraw/zinc/03/85/69/520038569.db2.gz UMIQIGPQBBTPAT-AWEZNQCLSA-N 1 2 287.306 2.275 10 0 CEAELO CCC[NH2+][C@H](CCO[C@H](C)CC(C)C)C(=O)OC ZINC000062544949 520079465 /nfs/dbraw/zinc/07/94/65/520079465.db2.gz KDXUAZFHZFYPBO-CHWSQXEVSA-N 1 2 259.390 2.369 10 0 CEAELO CC[NH2+][C@@H](CCOCC1CCCCC1)C(=O)OC ZINC000062595999 520089911 /nfs/dbraw/zinc/08/99/11/520089911.db2.gz MQFMXENEJKOXRA-ZDUSSCGKSA-N 1 2 257.374 2.125 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc(F)cc1)C(=O)OCC ZINC000062549949 520093525 /nfs/dbraw/zinc/09/35/25/520093525.db2.gz OBVIENPXZQCBLS-ZDUSSCGKSA-N 1 2 269.316 2.136 10 0 CEAELO CC[NH2+][C@@H](c1ncccn1)c1ccc(OC)cc1OC ZINC000055232899 520114007 /nfs/dbraw/zinc/11/40/07/520114007.db2.gz FBOXCOHKOPMSDV-CQSZACIVSA-N 1 2 273.336 2.193 10 0 CEAELO CCCNc1cc(C[N@H+](C)CC(=O)N(CC)CC)ccn1 ZINC000052729564 520136697 /nfs/dbraw/zinc/13/66/97/520136697.db2.gz VYFGZRUAIBLNPI-UHFFFAOYSA-N 1 2 292.427 2.204 10 0 CEAELO CCCNc1cc(C[N@@H+](C)CC(=O)N(CC)CC)ccn1 ZINC000052729564 520136705 /nfs/dbraw/zinc/13/67/05/520136705.db2.gz VYFGZRUAIBLNPI-UHFFFAOYSA-N 1 2 292.427 2.204 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)Sc1nccc(C)n1)C(=O)OC ZINC000068640433 520142903 /nfs/dbraw/zinc/14/29/03/520142903.db2.gz KIHLLBDJPGSCMO-RISCZKNCSA-N 1 2 297.424 2.197 10 0 CEAELO CC[NH2+][C@@](CN(CC)c1ccccc1)(C(=O)OC)C1CC1 ZINC000069096349 520151954 /nfs/dbraw/zinc/15/19/54/520151954.db2.gz JPZALIOYFCXJLR-QGZVFWFLSA-N 1 2 290.407 2.444 10 0 CEAELO CCCNc1ccc(C[N@H+](C)CC(=O)N(CC)CC)cn1 ZINC000050817141 520154804 /nfs/dbraw/zinc/15/48/04/520154804.db2.gz ZKYVWLVVGRCZLF-UHFFFAOYSA-N 1 2 292.427 2.204 10 0 CEAELO CCCNc1ccc(C[N@@H+](C)CC(=O)N(CC)CC)cn1 ZINC000050817141 520154810 /nfs/dbraw/zinc/15/48/10/520154810.db2.gz ZKYVWLVVGRCZLF-UHFFFAOYSA-N 1 2 292.427 2.204 10 0 CEAELO CCCNc1nc(C[N@@H+]2CC[C@@H](O)C2)nc2sccc21 ZINC000061711580 520188082 /nfs/dbraw/zinc/18/80/82/520188082.db2.gz HVDKOPQVIZBVHO-SNVBAGLBSA-N 1 2 292.408 2.080 10 0 CEAELO CCCNc1nc(C[N@H+]2CC[C@@H](O)C2)nc2sccc21 ZINC000061711580 520188086 /nfs/dbraw/zinc/18/80/86/520188086.db2.gz HVDKOPQVIZBVHO-SNVBAGLBSA-N 1 2 292.408 2.080 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)Sc1cnccn1)C(=O)OCC ZINC000068643182 520242665 /nfs/dbraw/zinc/24/26/65/520242665.db2.gz JFTYJNGNYLNPHP-SMDDNHRTSA-N 1 2 297.424 2.279 10 0 CEAELO CCNc1[nH+]c2ccccc2cc1Cn1cncn1 ZINC000050818534 520360166 /nfs/dbraw/zinc/36/01/66/520360166.db2.gz ZIEWPILYQVBWMI-UHFFFAOYSA-N 1 2 253.309 2.306 10 0 CEAELO CCOc1ccc([C@@H](C)O)cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000055352374 521226836 /nfs/dbraw/zinc/22/68/36/521226836.db2.gz XWCYFRVGUCRYBU-QWHCGFSZSA-N 1 2 279.380 2.359 10 0 CEAELO CCOc1ccc([C@@H](C)O)cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000055352374 521226842 /nfs/dbraw/zinc/22/68/42/521226842.db2.gz XWCYFRVGUCRYBU-QWHCGFSZSA-N 1 2 279.380 2.359 10 0 CEAELO CCCc1[nH+]c(-c2ccc3ncccc3c2)c(N)n1N ZINC000069501657 521465967 /nfs/dbraw/zinc/46/59/67/521465967.db2.gz LXJITDDSQWURMS-UHFFFAOYSA-N 1 2 267.336 2.347 10 0 CEAELO CCOc1ccccc1O[C@@H](C)C[C@](C)([NH2+]C)C(=O)OC ZINC000068655422 521568446 /nfs/dbraw/zinc/56/84/46/521568446.db2.gz NGSZBNDETPQHDU-LRDDRELGSA-N 1 2 295.379 2.394 10 0 CEAELO COc1cc(-c2nc(C[NH2+]C3CC3)no2)ccc1C ZINC000051861421 521904431 /nfs/dbraw/zinc/90/44/31/521904431.db2.gz OAUSHRJUWRIMNJ-UHFFFAOYSA-N 1 2 259.309 2.306 10 0 CEAELO C[NH2+][C@@](COc1cc(C)ccc1C)(C(=O)OC)C1CC1 ZINC000069197323 522427570 /nfs/dbraw/zinc/42/75/70/522427570.db2.gz CIPITNQMJKCHDD-MRXNPFEDSA-N 1 2 277.364 2.223 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)n1c(C)nc2ccccc21)C(=O)OC ZINC000068648755 522525568 /nfs/dbraw/zinc/52/55/68/522525568.db2.gz YIUJVQVLMNOAST-MEDUHNTESA-N 1 2 289.379 2.447 10 0 CEAELO C[NH2+][C@](COc1cc(C)cc(C)c1)(C(=O)OC)C1CC1 ZINC000069197408 522530005 /nfs/dbraw/zinc/53/00/05/522530005.db2.gz SNDPGMKEVAVXDO-INIZCTEOSA-N 1 2 277.364 2.223 10 0 CEAELO C[NH2+][C@](CSc1ccccc1)(C(=O)OC)C1CC1 ZINC000069185507 522532256 /nfs/dbraw/zinc/53/22/56/522532256.db2.gz JBPUYNSCWWQHAQ-AWEZNQCLSA-N 1 2 265.378 2.320 10 0 CEAELO CNc1cc(Cn2c3ccccc3oc2=O)cc[nH+]1 ZINC000052732786 522568940 /nfs/dbraw/zinc/56/89/40/522568940.db2.gz ZFMNLRAUBADMBU-UHFFFAOYSA-N 1 2 255.277 2.080 10 0 CEAELO CNc1nc2ccccc2cc1C[N@@H+]1CCOC[C@@H]1C ZINC000050813596 522690791 /nfs/dbraw/zinc/69/07/91/522690791.db2.gz NQCUSZFQLXVKTN-LBPRGKRZSA-N 1 2 271.364 2.497 10 0 CEAELO CNc1nc2ccccc2cc1C[N@H+]1CCOC[C@@H]1C ZINC000050813596 522690797 /nfs/dbraw/zinc/69/07/97/522690797.db2.gz NQCUSZFQLXVKTN-LBPRGKRZSA-N 1 2 271.364 2.497 10 0 CEAELO C[N@H+](CCO)CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000048013348 522883703 /nfs/dbraw/zinc/88/37/03/522883703.db2.gz GIRPTKZIWRDTKG-UHFFFAOYSA-N 1 2 262.136 2.100 10 0 CEAELO C[N@@H+](CCO)CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000048013348 522883711 /nfs/dbraw/zinc/88/37/11/522883711.db2.gz GIRPTKZIWRDTKG-UHFFFAOYSA-N 1 2 262.136 2.100 10 0 CEAELO CC[C@@H]1CCCC[N@@H+]1C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069097241 523179147 /nfs/dbraw/zinc/17/91/47/523179147.db2.gz 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ZINC000069188534 524004606 /nfs/dbraw/zinc/00/46/06/524004606.db2.gz OGPILAFSOCVZAH-CYBMUJFWSA-N 1 2 257.399 2.202 10 0 CEAELO Cc1cccc(-c2nnc([C@H]([NH3+])c3ccccc3)o2)n1 ZINC000050283912 524127818 /nfs/dbraw/zinc/12/78/18/524127818.db2.gz CTTRQRLEYWJGAD-CYBMUJFWSA-N 1 2 266.304 2.488 10 0 CEAELO COc1ccccc1Nc1cc[nH+]c(C(N)=S)c1 ZINC000061811882 524650310 /nfs/dbraw/zinc/65/03/10/524650310.db2.gz RRAAULSQONGMIR-UHFFFAOYSA-N 1 2 259.334 2.468 10 0 CEAELO C[C@H]1C[C@@H]1Nc1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000052292664 524855144 /nfs/dbraw/zinc/85/51/44/524855144.db2.gz VEJLRQHOGQATBO-UFBFGSQYSA-N 1 2 261.394 2.415 10 0 CEAELO COc1ncnc(OC)c1C[NH2+][C@H](C)c1ccsc1 ZINC000061361234 525085471 /nfs/dbraw/zinc/08/54/71/525085471.db2.gz JXZHSVDHMXSUCF-SECBINFHSA-N 1 2 279.365 2.406 10 0 CEAELO CSC[C@H](C)CNc1cc(C(N)=S)cc[nH+]1 ZINC000069015036 525682409 /nfs/dbraw/zinc/68/24/09/525682409.db2.gz MOQMHBHOBPYPSD-MRVPVSSYSA-N 1 2 255.412 2.127 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccc(N2CCOCC2)cc1 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10 0 CEAELO Cn1cc([C@H]2CCC[N@@H+]2Cn2cc[nH]c2=S)cn1 ZINC000173340162 639850967 /nfs/dbraw/zinc/85/09/67/639850967.db2.gz PXOPHZASUUXTOT-LLVKDONJSA-N 1 2 263.370 2.074 10 0 CEAELO Cn1cc([C@H]2CCC[N@H+]2Cn2cc[nH]c2=S)cn1 ZINC000173340162 639850971 /nfs/dbraw/zinc/85/09/71/639850971.db2.gz PXOPHZASUUXTOT-LLVKDONJSA-N 1 2 263.370 2.074 10 0 CEAELO COC(=O)[C@H](c1ccc(Br)cc1)[NH+](C)C ZINC000095532578 185005251 /nfs/dbraw/zinc/00/52/51/185005251.db2.gz ORBPQCYVSLKLFT-JTQLQIEISA-N 1 2 272.142 2.225 10 0 CEAELO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000124473250 187139021 /nfs/dbraw/zinc/13/90/21/187139021.db2.gz GRSUGYGRXBGRTN-INIZCTEOSA-N 1 2 283.375 2.191 10 0 CEAELO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000124473250 187139022 /nfs/dbraw/zinc/13/90/22/187139022.db2.gz GRSUGYGRXBGRTN-INIZCTEOSA-N 1 2 283.375 2.191 10 0 CEAELO CC[C@H](C)NC(=O)CCc1c(C)[nH+]c2ccccn21 ZINC000096771762 185112340 /nfs/dbraw/zinc/11/23/40/185112340.db2.gz OYMXPZNJPSVJRE-NSHDSACASA-N 1 2 259.353 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CEAELO C[C@@H]1C[C@H](Nc2ccc(N3CCOCC3)[nH+]c2)CS1 ZINC000094472070 136513276 /nfs/dbraw/zinc/51/32/76/136513276.db2.gz ZYQKEHYUGLUCKT-YPMHNXCESA-N 1 2 279.409 2.224 10 0 CEAELO CC[C@](C)([C@@H](NN)c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000097585887 185632261 /nfs/dbraw/zinc/63/22/61/185632261.db2.gz CYSZCLVBVLFNBX-LSDHHAIUSA-N 1 2 297.830 2.345 10 0 CEAELO C[C@@H]1C[S@@](=O)C[C@H](c2ccc(Br)cc2)[NH2+]1 ZINC000085311758 179013778 /nfs/dbraw/zinc/01/37/78/179013778.db2.gz VPKPLCVJCMDIRV-UQHVFFSPSA-N 1 2 288.210 2.231 10 0 CEAELO CCCn1cc[nH+]c1[C@H](NN)c1cccc2ncccc21 ZINC000097736022 185658985 /nfs/dbraw/zinc/65/89/85/185658985.db2.gz AYTAKAADQYHNQE-OAHLLOKOSA-N 1 2 281.363 2.394 10 0 CEAELO CN(C)c1ccc(N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)c[nH+]1 ZINC000085632795 179108438 /nfs/dbraw/zinc/10/84/38/179108438.db2.gz CYPQHWTZCVMVIM-XBFCOCLRSA-N 1 2 261.369 2.373 10 0 CEAELO CCc1nnc([C@H]2C[N@H+](Cc3cccs3)CCO2)[nH]1 ZINC000129208562 365837100 /nfs/dbraw/zinc/83/71/00/365837100.db2.gz MLOSCRQGVNYSHC-LLVKDONJSA-N 1 2 278.381 2.002 10 0 CEAELO CCc1nnc([C@H]2C[N@@H+](Cc3cccs3)CCO2)[nH]1 ZINC000129208562 365837108 /nfs/dbraw/zinc/83/71/08/365837108.db2.gz MLOSCRQGVNYSHC-LLVKDONJSA-N 1 2 278.381 2.002 10 0 CEAELO CN1CCN2c3[nH+]cccc3Cc3ccccc3[C@@H]2C1=O ZINC000035645927 282972574 /nfs/dbraw/zinc/97/25/74/282972574.db2.gz NWXITVQAKIFZLZ-OAHLLOKOSA-N 1 2 279.343 2.006 10 0 in-vitro CEAELO COCc1cc(NN)[nH+]c(-c2cc(Cl)cs2)n1 ZINC000086334560 179273683 /nfs/dbraw/zinc/27/36/83/179273683.db2.gz RNOJWOJEGWGCQS-UHFFFAOYSA-N 1 2 270.745 2.291 10 0 CEAELO Cc1cc(NN)[nH+]c(-c2ncc(Cl)cc2Cl)n1 ZINC000086784329 179332069 /nfs/dbraw/zinc/33/20/69/179332069.db2.gz YCWCONKQMOESQI-UHFFFAOYSA-N 1 2 270.123 2.439 10 0 CEAELO COC(=O)COc1ccc([NH2+][C@@H]2CCCOCC2)cc1 ZINC000086870762 179363708 /nfs/dbraw/zinc/36/37/08/179363708.db2.gz DWWXORYJHRNEGG-GFCCVEGCSA-N 1 2 279.336 2.219 10 0 CEAELO COCC[NH2+][C@]1(C(=O)OC)CCC[C@@H](C(C)C)CC1 ZINC000086950127 179368661 /nfs/dbraw/zinc/36/86/61/179368661.db2.gz SEZUWYJDGXNYBX-UKRRQHHQSA-N 1 2 271.401 2.371 10 0 CEAELO COCCCc1noc([C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000086963017 179369258 /nfs/dbraw/zinc/36/92/58/179369258.db2.gz JIKVSOJRUKNYLS-CYBMUJFWSA-N 1 2 273.336 2.036 10 0 CEAELO C[C@@H]([NH2+]C1COC1)c1ccccc1Br ZINC000087194749 179399742 /nfs/dbraw/zinc/39/97/42/179399742.db2.gz INHDJVPWSKWWQV-MRVPVSSYSA-N 1 2 256.143 2.499 10 0 CEAELO CCOC(=O)N1CC[NH2+][C@H](c2ccc3ccccc3n2)C1 ZINC000616631904 348541619 /nfs/dbraw/zinc/54/16/19/348541619.db2.gz AGSXJASCWXGVSF-HNNXBMFYSA-N 1 2 285.347 2.338 10 0 CEAELO CCOC[C@H](C)Nc1nc(NC)[nH+]cc1Br ZINC000087825054 179494926 /nfs/dbraw/zinc/49/49/26/179494926.db2.gz SVGPSWBPRACZQF-ZETCQYMHSA-N 1 2 289.177 2.118 10 0 CEAELO c1ccc(C[N@@H+]2CCOCC[C@H]2c2ncccn2)cc1 ZINC000616598932 348530198 /nfs/dbraw/zinc/53/01/98/348530198.db2.gz VMBMBMYVXMJQIV-HNNXBMFYSA-N 1 2 269.348 2.440 10 0 CEAELO c1ccc(C[N@H+]2CCOCC[C@H]2c2ncccn2)cc1 ZINC000616598932 348530202 /nfs/dbraw/zinc/53/02/02/348530202.db2.gz VMBMBMYVXMJQIV-HNNXBMFYSA-N 1 2 269.348 2.440 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1c1c[nH]cn1 ZINC000616606487 348532806 /nfs/dbraw/zinc/53/28/06/348532806.db2.gz BLXJDFYVHHOBBX-GFCCVEGCSA-N 1 2 280.372 2.071 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1c1c[nH]cn1 ZINC000616606487 348532810 /nfs/dbraw/zinc/53/28/10/348532810.db2.gz BLXJDFYVHHOBBX-GFCCVEGCSA-N 1 2 280.372 2.071 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1c1cnc[nH]1 ZINC000616606487 348532812 /nfs/dbraw/zinc/53/28/12/348532812.db2.gz BLXJDFYVHHOBBX-GFCCVEGCSA-N 1 2 280.372 2.071 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1c1cnc[nH]1 ZINC000616606487 348532814 /nfs/dbraw/zinc/53/28/14/348532814.db2.gz BLXJDFYVHHOBBX-GFCCVEGCSA-N 1 2 280.372 2.071 10 0 CEAELO CC(C)(C)OC(=O)N1CC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616612228 348533972 /nfs/dbraw/zinc/53/39/72/348533972.db2.gz YBUIXAYOOXBSSJ-LLVKDONJSA-N 1 2 263.341 2.219 10 0 CEAELO 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O[C@H](C[N@H+]1CCO[C@@H](c2nccs2)C1)C1CCCCC1 ZINC000248973087 371276139 /nfs/dbraw/zinc/27/61/39/371276139.db2.gz SPZYFWPBMMGABX-ZIAGYGMSSA-N 1 2 296.436 2.458 10 0 CEAELO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000639941237 371692270 /nfs/dbraw/zinc/69/22/70/371692270.db2.gz WCLFOYWOPPHXBB-NXEZZACHSA-N 1 2 279.365 2.143 10 0 CEAELO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000639941237 371692273 /nfs/dbraw/zinc/69/22/73/371692273.db2.gz WCLFOYWOPPHXBB-NXEZZACHSA-N 1 2 279.365 2.143 10 0 CEAELO CO[C@H]1C[C@@H](CO)[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000344677801 217272232 /nfs/dbraw/zinc/27/22/32/217272232.db2.gz OLZCESXBUJPXKG-QWRGUYRKSA-N 1 2 284.425 2.022 10 0 CEAELO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000344677801 217272233 /nfs/dbraw/zinc/27/22/33/217272233.db2.gz OLZCESXBUJPXKG-QWRGUYRKSA-N 1 2 284.425 2.022 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2nc3ccccc3n2C)C1 ZINC000643745105 373251314 /nfs/dbraw/zinc/25/13/14/373251314.db2.gz QHWPYRFLNHMWNV-RISCZKNCSA-N 1 2 297.362 2.263 10 0 CEAELO COCc1noc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)n1 ZINC000180235614 542262090 /nfs/dbraw/zinc/26/20/90/542262090.db2.gz UBGFCJXGIUUYLM-MRVPVSSYSA-N 1 2 283.278 2.345 10 0 CEAELO CCc1cc(N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)nc(C)[nH+]1 ZINC000302108528 379321411 /nfs/dbraw/zinc/32/14/11/379321411.db2.gz SSUXFLLDGCLOBA-RBSFLKMASA-N 1 2 291.395 2.120 10 0 CEAELO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000186844094 542312328 /nfs/dbraw/zinc/31/23/28/542312328.db2.gz IHVCLJRAYGIWSF-NXEZZACHSA-N 1 2 289.301 2.200 10 0 CEAELO Cc1scc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000335242793 208008191 /nfs/dbraw/zinc/00/81/91/208008191.db2.gz VVUKHAIJQSLJGD-ZYHUDNBSSA-N 1 2 252.383 2.222 10 0 CEAELO Cn1ncnc1C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000389311978 542373105 /nfs/dbraw/zinc/37/31/05/542373105.db2.gz ULLQRLWAKLLJJR-LBPRGKRZSA-N 1 2 272.352 2.207 10 0 CEAELO O=C(NCc1[nH]cc[nH+]1)c1c(F)c(F)c(F)c(F)c1F ZINC000080606256 177679304 /nfs/dbraw/zinc/67/93/04/177679304.db2.gz MQLISNZLRWQMLB-UHFFFAOYSA-N 1 2 291.179 2.035 10 0 CEAELO CC[C@@H](C)N1C(=O)C[C@H]([NH2+][C@@H](CC)c2nccs2)C1=O ZINC000080276102 177635577 /nfs/dbraw/zinc/63/55/77/177635577.db2.gz XUXHQQOJUDGGIS-VWYCJHECSA-N 1 2 295.408 2.110 10 0 CEAELO Cc1cc(F)c([C@@H]2C[S@@](=O)CCC[NH2+]2)cc1F ZINC000094741282 184850579 /nfs/dbraw/zinc/85/05/79/184850579.db2.gz VSGRRTRKEJYVPH-YVEFUNNKSA-N 1 2 259.321 2.056 10 0 CEAELO CC(C)(C)OC(=O)N1CC[C@H](Nc2[nH+]cccc2O)C1 ZINC000095083038 184938537 /nfs/dbraw/zinc/93/85/37/184938537.db2.gz IHRYYUHWUWXLDH-JTQLQIEISA-N 1 2 279.340 2.209 10 0 CEAELO Cc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)COC(C)(C)C)o1 ZINC000247214900 131102275 /nfs/dbraw/zinc/10/22/75/131102275.db2.gz UWVRBWYWGXORAL-ZIAGYGMSSA-N 1 2 297.395 2.137 10 0 CEAELO Cc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)COC(C)(C)C)o1 ZINC000247214900 131102276 /nfs/dbraw/zinc/10/22/76/131102276.db2.gz UWVRBWYWGXORAL-ZIAGYGMSSA-N 1 2 297.395 2.137 10 0 CEAELO Nc1nc(Nc2cnn(Cc3ccccc3)c2)cc[nH+]1 ZINC000307006905 394519754 /nfs/dbraw/zinc/51/97/54/394519754.db2.gz GIBFLVYFBNONFX-UHFFFAOYSA-N 1 2 266.308 2.047 10 0 CEAELO Nc1[nH+]cnc(N2CC[C@H]3CCCC[C@H]32)c1Cl ZINC000281773845 394858224 /nfs/dbraw/zinc/85/82/24/394858224.db2.gz GVKLXKFJAMBKBR-RKDXNWHRSA-N 1 2 252.749 2.481 10 0 CEAELO Nc1nc[nH+]c(N2CC[C@H]3CCCC[C@H]32)c1Cl ZINC000281773845 394858229 /nfs/dbraw/zinc/85/82/29/394858229.db2.gz GVKLXKFJAMBKBR-RKDXNWHRSA-N 1 2 252.749 2.481 10 0 CEAELO COC(=O)[C@@H]1CCCC[N@@H+]1CCCC(=O)OC(C)(C)C ZINC000181500690 395215946 /nfs/dbraw/zinc/21/59/46/395215946.db2.gz VHIOACPBKUTTKM-LBPRGKRZSA-N 1 2 285.384 2.136 10 0 CEAELO COC(=O)[C@@H]1CCCC[N@H+]1CCCC(=O)OC(C)(C)C ZINC000181500690 395215948 /nfs/dbraw/zinc/21/59/48/395215948.db2.gz VHIOACPBKUTTKM-LBPRGKRZSA-N 1 2 285.384 2.136 10 0 CEAELO CC(C)c1nnc(C[NH+]2CCC([C@@H]3CCCO3)CC2)n1C ZINC000189191709 153085994 /nfs/dbraw/zinc/08/59/94/153085994.db2.gz SZASPQGNBXUQJH-AWEZNQCLSA-N 1 2 292.427 2.330 10 0 CEAELO O=C(C[N@@H+]1CCCC[C@H]1c1nccs1)N1CCCC1 ZINC000195439298 153288486 /nfs/dbraw/zinc/28/84/86/153288486.db2.gz BAESAFQVWSYHRW-LBPRGKRZSA-N 1 2 279.409 2.293 10 0 CEAELO O=C(C[N@H+]1CCCC[C@H]1c1nccs1)N1CCCC1 ZINC000195439298 153288491 /nfs/dbraw/zinc/28/84/91/153288491.db2.gz BAESAFQVWSYHRW-LBPRGKRZSA-N 1 2 279.409 2.293 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)CCCc1ccccc1 ZINC000195519914 153293893 /nfs/dbraw/zinc/29/38/93/153293893.db2.gz IWFVYTSLSOAMEO-UHFFFAOYSA-N 1 2 292.404 2.451 10 0 CEAELO CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507991 153294670 /nfs/dbraw/zinc/29/46/70/153294670.db2.gz NLBMWRGGVBEUIN-LBPRGKRZSA-N 1 2 292.427 2.282 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CCCCC2)o1 ZINC000230642576 153395158 /nfs/dbraw/zinc/39/51/58/153395158.db2.gz IMRFHFLNOFUKRN-NWDGAFQWSA-N 1 2 279.384 2.471 10 0 CEAELO CCC1(CC)CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263035312 154010058 /nfs/dbraw/zinc/01/00/58/154010058.db2.gz SHPWQLHMXNAKBP-JTQLQIEISA-N 1 2 260.328 2.022 10 0 CEAELO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263085625 154016145 /nfs/dbraw/zinc/01/61/45/154016145.db2.gz XWDJXXVOUZZJLW-JQWIXIFHSA-N 1 2 298.333 2.178 10 0 CEAELO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]1c1ccco1 ZINC000172015694 162396898 /nfs/dbraw/zinc/39/68/98/162396898.db2.gz IJZBXAMLQKNTSN-LLVKDONJSA-N 1 2 269.308 2.298 10 0 CEAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC000171621752 165051892 /nfs/dbraw/zinc/05/18/92/165051892.db2.gz JCDMZLWYYALJRL-CYBMUJFWSA-N 1 2 262.382 2.485 10 0 CEAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC000171621752 165051893 /nfs/dbraw/zinc/05/18/93/165051893.db2.gz JCDMZLWYYALJRL-CYBMUJFWSA-N 1 2 262.382 2.485 10 0 CEAELO CC(C)CCO[C@@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177738702 165206661 /nfs/dbraw/zinc/20/66/61/165206661.db2.gz XVFZBVGCCUDMHX-LSDHHAIUSA-N 1 2 293.411 2.325 10 0 CEAELO Cc1nc([C@@H]2C[N@H+](Cc3cccc(C)c3C)CCO2)n[nH]1 ZINC000180110038 165295732 /nfs/dbraw/zinc/29/57/32/165295732.db2.gz VNIAOITYKNBQOX-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@@H]2C[N@@H+](Cc3cccc(C)c3C)CCO2)n[nH]1 ZINC000180110038 165295733 /nfs/dbraw/zinc/29/57/33/165295733.db2.gz VNIAOITYKNBQOX-HNNXBMFYSA-N 1 2 286.379 2.303 10 0 CEAELO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000284495967 196069863 /nfs/dbraw/zinc/06/98/63/196069863.db2.gz GUYURYAOSMOMNX-DOMZBBRYSA-N 1 2 297.362 2.248 10 0 CEAELO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000284495967 196069865 /nfs/dbraw/zinc/06/98/65/196069865.db2.gz GUYURYAOSMOMNX-DOMZBBRYSA-N 1 2 297.362 2.248 10 0 CEAELO [NH3+]Cc1ccccc1NS(=O)(=O)c1ccccc1F ZINC000021955688 171341634 /nfs/dbraw/zinc/34/16/34/171341634.db2.gz DXFUKYMPOSYUMQ-UHFFFAOYSA-N 1 2 280.324 2.085 10 0 CEAELO Nc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1F ZINC000022171242 171368033 /nfs/dbraw/zinc/36/80/33/171368033.db2.gz RWYKUANAWWILBX-UHFFFAOYSA-N 1 2 262.288 2.023 10 0 CEAELO COC(=O)C[C@H](C)n1c[nH+]c2cc(F)c(F)cc21 ZINC000035741307 172395003 /nfs/dbraw/zinc/39/50/03/172395003.db2.gz WGOIBLBZIQARCY-ZETCQYMHSA-N 1 2 254.236 2.439 10 0 CEAELO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000036959851 172829059 /nfs/dbraw/zinc/82/90/59/172829059.db2.gz JBTPHXOAQXHFPL-RKDXNWHRSA-N 1 2 255.387 2.017 10 0 CEAELO COC(=O)c1ccoc1CSc1ccc(N)[nH+]c1 ZINC000037192226 173021195 /nfs/dbraw/zinc/02/11/95/173021195.db2.gz PEWVRIAFIGWZIQ-UHFFFAOYSA-N 1 2 264.306 2.336 10 0 CEAELO C[N@H+](CC(=O)c1c(F)cccc1F)C1CCOCC1 ZINC000037339946 173141175 /nfs/dbraw/zinc/14/11/75/173141175.db2.gz CAUGDGWCLKLQHF-UHFFFAOYSA-N 1 2 269.291 2.258 10 0 CEAELO C[N@@H+](CC(=O)c1c(F)cccc1F)C1CCOCC1 ZINC000037339946 173141177 /nfs/dbraw/zinc/14/11/77/173141177.db2.gz CAUGDGWCLKLQHF-UHFFFAOYSA-N 1 2 269.291 2.258 10 0 CEAELO CC[N@@H+]1CCC[C@H](Nc2ccccc2S(=O)(=O)CC)C1 ZINC000040503131 174300142 /nfs/dbraw/zinc/30/01/42/174300142.db2.gz HCQCAJVIMHQORH-ZDUSSCGKSA-N 1 2 296.436 2.376 10 0 CEAELO CC[N@H+]1CCC[C@H](Nc2ccccc2S(=O)(=O)CC)C1 ZINC000040503131 174300143 /nfs/dbraw/zinc/30/01/43/174300143.db2.gz HCQCAJVIMHQORH-ZDUSSCGKSA-N 1 2 296.436 2.376 10 0 CEAELO Cc1cc(C)c(C(N)=O)c(Nc2cccc(N)c2)[nH+]1 ZINC000040515926 174306827 /nfs/dbraw/zinc/30/68/27/174306827.db2.gz TZZDLXSDYNFBTG-UHFFFAOYSA-N 1 2 256.309 2.123 10 0 CEAELO CC(C)([NH2+]Cc1csc(-c2ccc(F)cc2)n1)C(N)=O ZINC000040674513 174372998 /nfs/dbraw/zinc/37/29/98/174372998.db2.gz PRBDBMKSPAWFEV-UHFFFAOYSA-N 1 2 293.367 2.303 10 0 CEAELO Nc1c(N2CCCC2)nc[nH+]c1N1CCCCCC1 ZINC000040724206 174386642 /nfs/dbraw/zinc/38/66/42/174386642.db2.gz KLNVEXQVHJPQIX-UHFFFAOYSA-N 1 2 261.373 2.039 10 0 CEAELO Nc1c(N2CCCC2)[nH+]cnc1N1CCCCCC1 ZINC000040724206 174386643 /nfs/dbraw/zinc/38/66/43/174386643.db2.gz KLNVEXQVHJPQIX-UHFFFAOYSA-N 1 2 261.373 2.039 10 0 CEAELO CCn1ccnc1[C@H]([NH2+]C)c1c(F)cccc1F ZINC000041112583 174483187 /nfs/dbraw/zinc/48/31/87/174483187.db2.gz IJQZXXJBLRNWNA-GFCCVEGCSA-N 1 2 251.280 2.490 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223628 175331430 /nfs/dbraw/zinc/33/14/30/175331430.db2.gz HDUBHVWGTHMCAP-AWEZNQCLSA-N 1 2 256.390 2.094 10 0 CEAELO COC(=O)[C@](C)(CCN(C)c1ccccc1)[NH2+]C1CC1 ZINC000045227763 175333256 /nfs/dbraw/zinc/33/32/56/175333256.db2.gz OXLCWNPLKJPOPF-INIZCTEOSA-N 1 2 276.380 2.197 10 0 CEAELO CCC[NH2+][C@](C)(CCN(CC)CC(F)(F)F)C(=O)OC ZINC000045274140 175344618 /nfs/dbraw/zinc/34/46/18/175344618.db2.gz APLPMQPTXOSWHG-GFCCVEGCSA-N 1 2 298.349 2.192 10 0 CEAELO CCCc1[nH+]ccn1-c1nc(C)ccc1C(N)=S ZINC000070424560 175920882 /nfs/dbraw/zinc/92/08/82/175920882.db2.gz HTMSHVYVWZKFQA-UHFFFAOYSA-N 1 2 260.366 2.162 10 0 CEAELO CCOC(=O)[C@](C)(Cc1ccc(OC)cc1)[NH2+]C1CC1 ZINC000071169730 176050358 /nfs/dbraw/zinc/05/03/58/176050358.db2.gz ISIHMYSXVNCDEG-INIZCTEOSA-N 1 2 277.364 2.312 10 0 CEAELO Cc1ncsc1Cn1c2ccc(N)cc2[nH+]c1[C@H](C)O ZINC000071213584 176085491 /nfs/dbraw/zinc/08/54/91/176085491.db2.gz QODPZDXFCVNQOI-VIFPVBQESA-N 1 2 288.376 2.485 10 0 CEAELO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265924 176099308 /nfs/dbraw/zinc/09/93/08/176099308.db2.gz JMPDJASSLRBHFR-GWCFXTLKSA-N 1 2 296.411 2.459 10 0 CEAELO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265924 176099310 /nfs/dbraw/zinc/09/93/10/176099310.db2.gz JMPDJASSLRBHFR-GWCFXTLKSA-N 1 2 296.411 2.459 10 0 CEAELO Cn1cc[nH+]c1CNC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000071274841 176106112 /nfs/dbraw/zinc/10/61/12/176106112.db2.gz WDGWKEVLGHQZRA-UHFFFAOYSA-N 1 2 299.161 2.239 10 0 CEAELO COc1cccc(-c2cc(N)nc(NC3CC3)[nH+]2)c1 ZINC000071298127 176112412 /nfs/dbraw/zinc/11/24/12/176112412.db2.gz XVSUOJAETASYQK-UHFFFAOYSA-N 1 2 256.309 2.309 10 0 CEAELO COC(=O)[C@@](C)([NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000071399813 176152270 /nfs/dbraw/zinc/15/22/70/176152270.db2.gz DUECSAQZOMFKNA-ZFWWWQNUSA-N 1 2 269.385 2.267 10 0 CEAELO Cn1cc([C@@H](c2c[nH]c3ccccc32)[NH+]2CCOCC2)cn1 ZINC000071704261 176248232 /nfs/dbraw/zinc/24/82/32/176248232.db2.gz BCVCRROMXJZFJE-KRWDZBQOSA-N 1 2 296.374 2.323 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cc(-c2ccccc2)on1 ZINC000078723488 177375917 /nfs/dbraw/zinc/37/59/17/177375917.db2.gz YQAFPIYFHNDUQS-UHFFFAOYSA-N 1 2 282.303 2.037 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cc(-c2ccccc2)on1 ZINC000078723488 177375919 /nfs/dbraw/zinc/37/59/19/177375919.db2.gz YQAFPIYFHNDUQS-UHFFFAOYSA-N 1 2 282.303 2.037 10 0 CEAELO CC[C@H](COC)[NH2+]c1ccc(N(CC)CCO)cc1 ZINC000079712990 177541662 /nfs/dbraw/zinc/54/16/62/177541662.db2.gz ANGGANVZCGDJNF-CYBMUJFWSA-N 1 2 266.385 2.342 10 0 CEAELO CNc1nc(C[NH+]2CCSCC2)nc2sccc21 ZINC000050791854 522683082 /nfs/dbraw/zinc/68/30/82/522683082.db2.gz JJPXPZJYPYXJQQ-UHFFFAOYSA-N 1 2 280.422 2.282 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H]1CC[C@@H](C)O1)C2 ZINC000188577541 278075134 /nfs/dbraw/zinc/07/51/34/278075134.db2.gz JNBCBDYGVAZWFF-OLZOCXBDSA-N 1 2 277.412 2.469 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@@H]1CC[C@@H](C)O1)C2 ZINC000188577541 278075136 /nfs/dbraw/zinc/07/51/36/278075136.db2.gz JNBCBDYGVAZWFF-OLZOCXBDSA-N 1 2 277.412 2.469 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@@H]1CC[C@@H](C)O1)C2 ZINC000188577541 278075138 /nfs/dbraw/zinc/07/51/38/278075138.db2.gz JNBCBDYGVAZWFF-OLZOCXBDSA-N 1 2 277.412 2.469 10 0 CEAELO CCC[NH2+][C@](C[N@@H+]1CCCC(C)(C)C1)(C(=O)[O-])C1CC1 ZINC000069517012 520122137 /nfs/dbraw/zinc/12/21/37/520122137.db2.gz GWJOHYWCEZOELU-INIZCTEOSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@](C[N@H+]1CCCC(C)(C)C1)(C(=O)[O-])C1CC1 ZINC000069517012 520122142 /nfs/dbraw/zinc/12/21/42/520122142.db2.gz GWJOHYWCEZOELU-INIZCTEOSA-N 1 2 282.428 2.341 10 0 CEAELO CCCNc1snnc1C[N@@H+]1CCCC[C@H]1CCO ZINC000050792879 520203053 /nfs/dbraw/zinc/20/30/53/520203053.db2.gz PXEUNTDOVOIUPE-NSHDSACASA-N 1 2 284.429 2.097 10 0 CEAELO CCCNc1snnc1C[N@H+]1CCCC[C@H]1CCO ZINC000050792879 520203060 /nfs/dbraw/zinc/20/30/60/520203060.db2.gz PXEUNTDOVOIUPE-NSHDSACASA-N 1 2 284.429 2.097 10 0 CEAELO CC[NH2+][C@](C)(COc1cc(F)cc(F)c1)C(=O)OCC ZINC000054933889 520234120 /nfs/dbraw/zinc/23/41/20/520234120.db2.gz ZEGYTANPNZLRJS-CQSZACIVSA-N 1 2 287.306 2.275 10 0 CEAELO CCCC[N@H+](CC)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069090247 520479004 /nfs/dbraw/zinc/47/90/04/520479004.db2.gz XLQZQASHYMZXIX-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CCCC[N@@H+](CC)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069090247 520479010 /nfs/dbraw/zinc/47/90/10/520479010.db2.gz XLQZQASHYMZXIX-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CCOC(=O)[C@@H](CCN(C)c1ccc(C)cc1C)[NH2+]C ZINC000062528890 521058414 /nfs/dbraw/zinc/05/84/14/521058414.db2.gz JUZFPWFCNYBPJV-CQSZACIVSA-N 1 2 278.396 2.281 10 0 CEAELO CC[C@H](C)[C@@H]([NH2+]Cc1cc(C)n(C)c1C)C(=O)OC ZINC000052790145 521860002 /nfs/dbraw/zinc/86/00/02/521860002.db2.gz ZNECKQYMXPPFRM-IINYFYTJSA-N 1 2 266.385 2.319 10 0 CEAELO Brc1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC000054763389 518212446 /nfs/dbraw/zinc/21/24/46/518212446.db2.gz DUMHUZPRYFEAGM-UHFFFAOYSA-N 1 2 266.142 2.462 10 0 CEAELO CC(C)c1[nH]n(Cc2ccccc2)c(=O)c1CC[NH3+] ZINC000069506078 519558150 /nfs/dbraw/zinc/55/81/50/519558150.db2.gz QQDNVKFYLAMLFV-ZDUSSCGKSA-N 1 2 259.353 2.006 10 0 CEAELO CC(C)[C@@H](C)N(C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061537891 519791294 /nfs/dbraw/zinc/79/12/94/519791294.db2.gz OTEWCVRRPZOQBT-SECBINFHSA-N 1 2 280.763 2.191 10 0 CEAELO CCCC1=NN(c2cccc(F)c2)C(=O)[C@H]1CC[NH3+] ZINC000069506548 519894605 /nfs/dbraw/zinc/89/46/05/519894605.db2.gz WYPZNHBRKKJSFR-LBPRGKRZSA-N 1 2 263.316 2.293 10 0 CEAELO CCOCCOCc1cc2ccc(OC)cc2[nH+]c1N ZINC000050831562 519999840 /nfs/dbraw/zinc/99/98/40/519999840.db2.gz RJRLPTLRIYZNKC-UHFFFAOYSA-N 1 2 276.336 2.379 10 0 CEAELO CCC[NH2+][C@@H](CCn1c(C)[nH+]c2ccccc21)C(=O)[O-] ZINC000062534695 520006185 /nfs/dbraw/zinc/00/61/85/520006185.db2.gz YDTLFPCXHSCRJC-ZDUSSCGKSA-N 1 2 275.352 2.188 10 0 CEAELO CCC[NH2+][C@@H](c1nccn1CCC)c1cnccn1 ZINC000069497773 520019525 /nfs/dbraw/zinc/01/95/25/520019525.db2.gz DMNPEZSRKZBQSD-CYBMUJFWSA-N 1 2 259.357 2.172 10 0 CEAELO CCC[NH2+][C@@](CSC(C)C)(C(=O)OC)C1CC1 ZINC000069188520 520057769 /nfs/dbraw/zinc/05/77/69/520057769.db2.gz UCJNBRDVIQKSGE-CYBMUJFWSA-N 1 2 259.415 2.449 10 0 CEAELO CCC[NH2+][C@H](C(=O)OC)c1ccc2ncccc2c1 ZINC000069503319 520062613 /nfs/dbraw/zinc/06/26/13/520062613.db2.gz VAAGMIQLHRUMCF-AWEZNQCLSA-N 1 2 258.321 2.449 10 0 CEAELO CCC[NH2+][C@H](CCn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062807944 520080860 /nfs/dbraw/zinc/08/08/60/520080860.db2.gz SHLZDBMRLTZPPF-CYBMUJFWSA-N 1 2 289.379 2.442 10 0 CEAELO CC[NH2+][C@@H](CCO[C@H](C)CC(C)C)C(=O)OCC ZINC000062544969 520091424 /nfs/dbraw/zinc/09/14/24/520091424.db2.gz AHHRLZZQXSCASG-OLZOCXBDSA-N 1 2 259.390 2.369 10 0 CEAELO CCCN[C@](C)(C[NH+]1Cc2ccccc2C1)C(=O)OCC ZINC000050912212 520107566 /nfs/dbraw/zinc/10/75/66/520107566.db2.gz MITYXYSJAPXZTK-QGZVFWFLSA-N 1 2 290.407 2.324 10 0 CEAELO CCC[NH2+][C@](C)(CN1Cc2ccccc2C1)C(=O)OCC ZINC000050912212 520107568 /nfs/dbraw/zinc/10/75/68/520107568.db2.gz MITYXYSJAPXZTK-QGZVFWFLSA-N 1 2 290.407 2.324 10 0 CEAELO CC[NH2+][C@@](C)(COc1cc(F)cc(F)c1)C(=O)OCC ZINC000054933887 520137098 /nfs/dbraw/zinc/13/70/98/520137098.db2.gz ZEGYTANPNZLRJS-AWEZNQCLSA-N 1 2 287.306 2.275 10 0 CEAELO CCCNc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OCC)cn1 ZINC000050814873 520158300 /nfs/dbraw/zinc/15/83/00/520158300.db2.gz CKSCGFWMMOWXMQ-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CCCNc1ccc(C[N@H+]2CCC[C@H]2C(=O)OCC)cn1 ZINC000050814873 520158303 /nfs/dbraw/zinc/15/83/03/520158303.db2.gz CKSCGFWMMOWXMQ-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CC[NH2+][C@H](CCOC1CCC(C)CC1)C(=O)OC ZINC000062544168 520191192 /nfs/dbraw/zinc/19/11/92/520191192.db2.gz CMBDLZGCRQNXME-WXRRBKDZSA-N 1 2 257.374 2.123 10 0 CEAELO CC[NH2+][C@](COc1ccccc1)(C(=O)OCC)C1CC1 ZINC000069197608 520250467 /nfs/dbraw/zinc/25/04/67/520250467.db2.gz QPVGSUVBMYQCRS-INIZCTEOSA-N 1 2 277.364 2.387 10 0 CEAELO CC[NH2+][C@](COc1ccc(F)cc1F)(C(=O)OC)C1CC1 ZINC000069196888 520251721 /nfs/dbraw/zinc/25/17/21/520251721.db2.gz VAZSBHXXLYPUKX-HNNXBMFYSA-N 1 2 299.317 2.275 10 0 CEAELO CCNc1nc(C[N@H+](C)CCOC)nc2sccc21 ZINC000050817498 520356881 /nfs/dbraw/zinc/35/68/81/520356881.db2.gz YTDVPARYGWPSSN-UHFFFAOYSA-N 1 2 280.397 2.201 10 0 CEAELO CCNc1nc(C[N@@H+](C)CCOC)nc2sccc21 ZINC000050817498 520356887 /nfs/dbraw/zinc/35/68/87/520356887.db2.gz YTDVPARYGWPSSN-UHFFFAOYSA-N 1 2 280.397 2.201 10 0 CEAELO CCCOc1ccc(OC[C@H]([NH2+]CC)C(=O)OC)cc1 ZINC000045520251 520410100 /nfs/dbraw/zinc/41/01/00/520410100.db2.gz VOPIPRWUEWWRAP-AWEZNQCLSA-N 1 2 281.352 2.005 10 0 CEAELO CCCCN(CC)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061522555 520484055 /nfs/dbraw/zinc/48/40/55/520484055.db2.gz MQFBEBZSKZURCI-UHFFFAOYSA-N 1 2 280.763 2.337 10 0 CEAELO CCCSC[C@@]([NH2+]CC)(C(=O)OCC)C1CC1 ZINC000069185319 520565127 /nfs/dbraw/zinc/56/51/27/520565127.db2.gz CKGYSNNYPOJPMG-ZDUSSCGKSA-N 1 2 259.415 2.451 10 0 CEAELO O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000174759373 534506390 /nfs/dbraw/zinc/50/63/90/534506390.db2.gz DUILOKAXVJZBSV-QWRGUYRKSA-N 1 2 291.301 2.150 10 0 CEAELO CCOC(=O)[C@@H](CCN1Cc2ccccc2C1)[NH2+]C(C)C ZINC000062531213 521059974 /nfs/dbraw/zinc/05/99/74/521059974.db2.gz PKZLEZGNCJXZCK-MRXNPFEDSA-N 1 2 290.407 2.322 10 0 CEAELO CCOC(=O)[C@@H](CCn1ncc2ccccc21)[NH2+]C1CC1 ZINC000062537950 521061513 /nfs/dbraw/zinc/06/15/13/521061513.db2.gz RICQZWFDTHPLJH-CQSZACIVSA-N 1 2 287.363 2.110 10 0 CEAELO CCOC(=O)[C@@](C)(CCOc1cccc(COC)c1)[NH2+]C ZINC000069508420 521148334 /nfs/dbraw/zinc/14/83/34/521148334.db2.gz HAVNABHIJNIQGN-MRXNPFEDSA-N 1 2 295.379 2.143 10 0 CEAELO CCOC(=O)[C@H](CCSCC(C)C)[NH2+]C1CC1 ZINC000062596396 521246903 /nfs/dbraw/zinc/24/69/03/521246903.db2.gz JTOOVDCOQNFFCF-LBPRGKRZSA-N 1 2 259.415 2.449 10 0 CEAELO CCOC(=O)[C@H](CCOC1CCCCC1)[NH2+]C1CC1 ZINC000062545878 521247655 /nfs/dbraw/zinc/24/76/55/521247655.db2.gz OJIWIZBHMRSOTL-AWEZNQCLSA-N 1 2 269.385 2.410 10 0 CEAELO CCOC(=O)[C@H](COc1ccccc1C)[NH2+]C(C)C ZINC000045517318 521254539 /nfs/dbraw/zinc/25/45/39/521254539.db2.gz QPZQUNPNCOMXLY-ZDUSSCGKSA-N 1 2 265.353 2.304 10 0 CEAELO CCOC(=O)[C@](CN(C)c1ccccc1C)([NH2+]C)C1CC1 ZINC000069231343 521339614 /nfs/dbraw/zinc/33/96/14/521339614.db2.gz JILMUGFGPVSPGD-QGZVFWFLSA-N 1 2 290.407 2.363 10 0 CEAELO CCOc1cccc(O[C@H](C)C[C@](C)([NH2+]C)C(=O)OC)c1 ZINC000068658333 521404501 /nfs/dbraw/zinc/40/45/01/521404501.db2.gz WLAQVBYPPFSCBI-WBMJQRKESA-N 1 2 295.379 2.394 10 0 CEAELO CCC(CC)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061536072 521598385 /nfs/dbraw/zinc/59/83/85/521598385.db2.gz FZBDDVYINJULJK-UHFFFAOYSA-N 1 2 266.736 2.311 10 0 CEAELO CNC(=O)c1cc(NCc2[nH]c[nH+]c2C)ccc1Cl ZINC000054796717 521786360 /nfs/dbraw/zinc/78/63/60/521786360.db2.gz NNPRIMYCZFSMQG-UHFFFAOYSA-N 1 2 278.743 2.343 10 0 CEAELO CCc1[nH+]c(-c2c(F)cccc2Cl)c(N)n1N ZINC000052838756 522140291 /nfs/dbraw/zinc/14/02/91/522140291.db2.gz BRFLUPLTJSTDJD-UHFFFAOYSA-N 1 2 254.696 2.201 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)Oc1ccccc1OC)C(=O)OC ZINC000068656636 522416145 /nfs/dbraw/zinc/41/61/45/522416145.db2.gz VXLHRYYCMITMSL-ABAIWWIYSA-N 1 2 281.352 2.004 10 0 CEAELO C[NH2+][C@@](CSCc1ccco1)(C(=O)OC)C1CC1 ZINC000069184280 522432436 /nfs/dbraw/zinc/43/24/36/522432436.db2.gz NIRVZYCAVZEXHN-CYBMUJFWSA-N 1 2 269.366 2.054 10 0 CEAELO C[NH2+][C@](C)(CSc1cccc(C)c1)C(=O)OC ZINC000045595561 522517936 /nfs/dbraw/zinc/51/79/36/522517936.db2.gz WWBPXHCAIMFNMA-CYBMUJFWSA-N 1 2 253.367 2.238 10 0 CEAELO C[NH2+][C@](COC1CCC(C)CC1)(C(=O)OC)C1CC1 ZINC000069196299 522527455 /nfs/dbraw/zinc/52/74/55/522527455.db2.gz DLCAOKIYKCLODN-HGMXIMQMSA-N 1 2 269.385 2.123 10 0 CEAELO CNc1cc(CN2C(=O)COc3ccccc32)cc[nH+]1 ZINC000052732531 522566149 /nfs/dbraw/zinc/56/61/49/522566149.db2.gz RURREVKJUJEXTC-UHFFFAOYSA-N 1 2 269.304 2.049 10 0 CEAELO COC(=O)[C@@](C)(C[C@H](C)Sc1ncccn1)[NH2+]C(C)C ZINC000068638222 523817345 /nfs/dbraw/zinc/81/73/45/523817345.db2.gz WSHJKQMUZKYLHN-SMDDNHRTSA-N 1 2 297.424 2.277 10 0 CEAELO COC(=O)[C@H](CCN1c2ccccc2C[C@@H]1C)[NH2+]C1CC1 ZINC000062437352 523899767 /nfs/dbraw/zinc/89/97/67/523899767.db2.gz HRLSBDRUTZVXNW-WFASDCNBSA-N 1 2 288.391 2.121 10 0 CEAELO COC(=O)[C@H](CCN1c2ccccc2C[C@@H]1C)[NH2+]C(C)C ZINC000062437346 523900351 /nfs/dbraw/zinc/90/03/51/523900351.db2.gz IZTQKFHXXLIVSQ-ZFWWWQNUSA-N 1 2 290.407 2.367 10 0 CEAELO CC[C@H](C)[N@H+](CC)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069097590 523934734 /nfs/dbraw/zinc/93/47/34/523934734.db2.gz GAFQQAQHGWPMCX-SWLSCSKDSA-N 1 2 270.417 2.338 10 0 CEAELO CC[C@H](C)[N@@H+](CC)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069097590 523934738 /nfs/dbraw/zinc/93/47/38/523934738.db2.gz GAFQQAQHGWPMCX-SWLSCSKDSA-N 1 2 270.417 2.338 10 0 CEAELO CC[C@H](C)N1CC[NH+]([C@@H]2CCCCCC2=O)CC1 ZINC000055064224 523958262 /nfs/dbraw/zinc/95/82/62/523958262.db2.gz SCPDHZBACWRRQR-UONOGXRCSA-N 1 2 252.402 2.304 10 0 CEAELO Cc1cc(C)n(Cc2cc3ccccc3[nH+]c2N)c(=O)n1 ZINC000050818304 524535682 /nfs/dbraw/zinc/53/56/82/524535682.db2.gz GMISFCWJXTWHOT-UHFFFAOYSA-N 1 2 280.331 2.039 10 0 CEAELO C[C@@H]1CCc2ccccc2N1C(=O)c1cccc(NN)[nH+]1 ZINC000051088897 524727391 /nfs/dbraw/zinc/72/73/91/524727391.db2.gz CUCSRVMTCXSTHY-LLVKDONJSA-N 1 2 282.347 2.349 10 0 CEAELO C[C@H]([N@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C(C)(C)C ZINC000069101056 524815037 /nfs/dbraw/zinc/81/50/37/524815037.db2.gz ROSUHTRETWBUER-MEDUHNTESA-N 1 2 282.428 2.338 10 0 CEAELO C[C@H]([N@@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C(C)(C)C ZINC000069101056 524815046 /nfs/dbraw/zinc/81/50/46/524815046.db2.gz ROSUHTRETWBUER-MEDUHNTESA-N 1 2 282.428 2.338 10 0 CEAELO C[C@@H]1C[N@@H+](Cc2nc(N)ccc2Cl)CC(C)(C)O1 ZINC000061638550 525031826 /nfs/dbraw/zinc/03/18/26/525031826.db2.gz XIBLAAIRZQWLSG-SECBINFHSA-N 1 2 269.776 2.317 10 0 CEAELO C[C@@H]1C[N@H+](Cc2nc(N)ccc2Cl)CC(C)(C)O1 ZINC000061638550 525031817 /nfs/dbraw/zinc/03/18/17/525031817.db2.gz XIBLAAIRZQWLSG-SECBINFHSA-N 1 2 269.776 2.317 10 0 CEAELO C[C@@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000182533260 525187833 /nfs/dbraw/zinc/18/78/33/525187833.db2.gz RVLWGMZXYFRPLA-CHWSQXEVSA-N 1 2 263.385 2.462 10 0 CEAELO Cc1ccc(Oc2nc(Cl)nc(-n3cc[nH+]c3)n2)cn1 ZINC000061522241 525479576 /nfs/dbraw/zinc/47/95/76/525479576.db2.gz FMXSZNQNTWYOCY-UHFFFAOYSA-N 1 2 288.698 2.206 10 0 CEAELO C[C@H](O)c1[nH+]c2cc(N)ccc2n1Cc1ccco1 ZINC000053735746 525876505 /nfs/dbraw/zinc/87/65/05/525876505.db2.gz ZVWUFVJJRBZBLX-VIFPVBQESA-N 1 2 257.293 2.313 10 0 CEAELO Cc1ccc2c(c1)[C@@H](NC(=O)NCCn1cc[nH+]c1)[C@@H](C)C2 ZINC000182413362 526183100 /nfs/dbraw/zinc/18/31/00/526183100.db2.gz XLFXQTIFKMOGPV-BBRMVZONSA-N 1 2 298.390 2.424 10 0 CEAELO Cc1[nH+]c(-c2ccc(OC(F)(F)F)cc2)c(N)n1N ZINC000052838385 526579145 /nfs/dbraw/zinc/57/91/45/526579145.db2.gz DUZONAWKZPRGMF-UHFFFAOYSA-N 1 2 272.230 2.053 10 0 CEAELO Cc1[nH]c(CNc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000054798485 526897243 /nfs/dbraw/zinc/89/72/43/526897243.db2.gz RMHNAXGMKZXQOL-UHFFFAOYSA-N 1 2 272.352 2.167 10 0 CEAELO Cc1[nH]cc(CNc2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000054798485 526897248 /nfs/dbraw/zinc/89/72/48/526897248.db2.gz RMHNAXGMKZXQOL-UHFFFAOYSA-N 1 2 272.352 2.167 10 0 CEAELO NC(=S)c1ccc(Cl)cc1NCCn1cc[nH+]c1 ZINC000062788227 527119222 /nfs/dbraw/zinc/11/92/22/527119222.db2.gz QDMOWEWIKSUCHL-UHFFFAOYSA-N 1 2 280.784 2.283 10 0 CEAELO NC(=S)c1cc[nH+]c(NC[C@@H]2Cc3ccccc3O2)c1 ZINC000051087393 527121905 /nfs/dbraw/zinc/12/19/05/527121905.db2.gz BNGZXKLJGUQMOD-LBPRGKRZSA-N 1 2 285.372 2.131 10 0 CEAELO [NH3+][C@@H](c1nnc(C2CCOCC2)o1)c1ccccc1 ZINC000061673856 527339882 /nfs/dbraw/zinc/33/98/82/527339882.db2.gz YVDVQFZBVCABEJ-GFCCVEGCSA-N 1 2 259.309 2.012 10 0 CEAELO Nc1c(-c2cc(F)ccc2F)[nH+]c(C2CC2)n1N ZINC000052839138 527423874 /nfs/dbraw/zinc/42/38/74/527423874.db2.gz URGZNGQCKIDRLV-UHFFFAOYSA-N 1 2 250.252 2.002 10 0 CEAELO Cn1c(Cl)cnc1[C@H]1[NH2+]CCc2sccc21 ZINC000397201019 570290034 /nfs/dbraw/zinc/29/00/34/570290034.db2.gz VVUONFGCKJMZSH-JTQLQIEISA-N 1 2 253.758 2.370 10 0 CEAELO O=C(c1cccnc1Cl)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177798596 625894221 /nfs/dbraw/zinc/89/42/21/625894221.db2.gz QHQYGTZNFRWNEI-LLVKDONJSA-N 1 2 290.754 2.236 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(Cn1cc(Cl)cn1)C2 ZINC000153031638 640387876 /nfs/dbraw/zinc/38/78/76/640387876.db2.gz HNEFSQOQKXFHKM-UHFFFAOYSA-N 1 2 293.802 2.409 10 0 CEAELO CN(Cc1ccc(Cl)s1)c1cc(N)nc[nH+]1 ZINC000082426500 178002141 /nfs/dbraw/zinc/00/21/41/178002141.db2.gz IRNUCBMLQZSUIX-UHFFFAOYSA-N 1 2 254.746 2.410 10 0 CEAELO O=C(N[C@H]1C[NH2+]Cc2cc(Cl)ccc21)C(F)(F)F ZINC000082806472 178309153 /nfs/dbraw/zinc/30/91/53/178309153.db2.gz BAUCOSLZPTYOMG-VIFPVBQESA-N 1 2 278.661 2.163 10 0 CEAELO CCc1cc(=O)[nH]c(CSCc2[nH+]ccn2CC)n1 ZINC000125587845 365680638 /nfs/dbraw/zinc/68/06/38/365680638.db2.gz XZUIENPMLHMTGC-UHFFFAOYSA-N 1 2 278.381 2.394 10 0 CEAELO CNc1nc(-n2cccn2)nc(NC2CCC(C)CC2)[nH+]1 ZINC000097030831 185154346 /nfs/dbraw/zinc/15/43/46/185154346.db2.gz HXZDOIHJYJXKEI-UHFFFAOYSA-N 1 2 287.371 2.090 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)c1ncccc1Cl ZINC000177293258 529582365 /nfs/dbraw/zinc/58/23/65/529582365.db2.gz DFCNJCGGPHPBKA-KRWDZBQOSA-N 1 2 269.757 2.259 10 0 CEAELO CC[NH+]1CCN(c2ccc(N)cc2Br)CC1 ZINC000043596456 362148903 /nfs/dbraw/zinc/14/89/03/362148903.db2.gz RZJSQQOIEOGGTD-UHFFFAOYSA-N 1 2 284.201 2.173 10 0 CEAELO CC(C)(C)C(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043975292 343467734 /nfs/dbraw/zinc/46/77/34/343467734.db2.gz HPMPREUVPILXEH-UHFFFAOYSA-N 1 2 275.396 2.460 10 0 CEAELO CCC[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000154856670 344436256 /nfs/dbraw/zinc/43/62/56/344436256.db2.gz RDXIGPCETUBVRV-NEPJUHHUSA-N 1 2 257.374 2.265 10 0 CEAELO COc1cccc(OC)c1-c1ccc2c(N)nc(N)[nH+]c2c1 ZINC000166642719 344476530 /nfs/dbraw/zinc/47/65/30/344476530.db2.gz PEYPJMCBHHWHNX-UHFFFAOYSA-N 1 2 296.330 2.478 10 0 CEAELO CC(=O)c1c(C=C[NH+](C)C)ncnc1C(F)(F)F ZINC000050140943 362404996 /nfs/dbraw/zinc/40/49/96/362404996.db2.gz NGWKRMGZWMUIJX-SNAWJCMRSA-N 1 2 259.231 2.230 10 0 CEAELO Cc1cc(NN)c2cc(I)ccc2[nH+]1 ZINC000051169290 362427274 /nfs/dbraw/zinc/42/72/74/362427274.db2.gz WZDBTHFATWLDCO-UHFFFAOYSA-N 1 2 299.115 2.433 10 0 CEAELO BrC1=CC(Br)=C2[NH2+]C=CN2C1 ZINC000237962995 344605344 /nfs/dbraw/zinc/60/53/44/344605344.db2.gz LXTUDKXWWZJDDX-UHFFFAOYSA-N 1 2 277.947 2.219 10 0 CEAELO Cc1nc(N[C@@H]2CCO[C@H]2C)c(Br)c(C)[nH+]1 ZINC000322794958 539406456 /nfs/dbraw/zinc/40/64/56/539406456.db2.gz MYLPIMIOCXCECH-IONNQARKSA-N 1 2 286.173 2.445 10 0 CEAELO Cc1nc(N[C@@H]2CCO[C@@H]2C)c(Br)c(C)[nH+]1 ZINC000322794959 539406740 /nfs/dbraw/zinc/40/67/40/539406740.db2.gz MYLPIMIOCXCECH-VXNVDRBHSA-N 1 2 286.173 2.445 10 0 CEAELO Nc1c[nH+]c2c(OCC(F)(F)F)cccc2c1N ZINC000584882597 344996155 /nfs/dbraw/zinc/99/61/55/344996155.db2.gz LJSFUECQYSDDAF-UHFFFAOYSA-N 1 2 257.215 2.340 10 0 CEAELO Cc1cccc(Cl)c1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000085389501 179047743 /nfs/dbraw/zinc/04/77/43/179047743.db2.gz NHIOEUDMLBZUSW-VIFPVBQESA-N 1 2 256.758 2.249 10 0 CEAELO CCOC(=O)[C@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000085707423 179122504 /nfs/dbraw/zinc/12/25/04/179122504.db2.gz OQBNCFTYSVCIGL-SNVBAGLBSA-N 1 2 272.142 2.320 10 0 CEAELO Brc1csc(NCc2c[nH+]c[nH]2)n1 ZINC000086290255 179265160 /nfs/dbraw/zinc/26/51/60/179265160.db2.gz DTQPGMGMEACSMP-UHFFFAOYSA-N 1 2 259.132 2.241 10 0 CEAELO Brc1csc(NCc2c[nH]c[nH+]2)n1 ZINC000086290255 179265163 /nfs/dbraw/zinc/26/51/63/179265163.db2.gz DTQPGMGMEACSMP-UHFFFAOYSA-N 1 2 259.132 2.241 10 0 CEAELO CC[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)[C@@H](CC)C[NH2+]1 ZINC000086446314 179295136 /nfs/dbraw/zinc/29/51/36/179295136.db2.gz XWWIRKGPNZOBBR-NEPJUHHUSA-N 1 2 286.379 2.166 10 0 CEAELO C[NH2+][C@@H](c1nccn1C)c1c(F)cc(F)cc1F ZINC000086998606 179377932 /nfs/dbraw/zinc/37/79/32/179377932.db2.gz XFFNMPZJGONOPH-LLVKDONJSA-N 1 2 255.243 2.146 10 0 CEAELO CC(C)(C)OC(=O)N1CCOCC[C@H]1c1ccc(N)[nH+]c1 ZINC000616657472 348550446 /nfs/dbraw/zinc/55/04/46/348550446.db2.gz BFYWNTLQGGUTLE-LBPRGKRZSA-N 1 2 293.367 2.193 10 0 CEAELO CC(C)(C)OC(=O)N1CC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616610322 348533363 /nfs/dbraw/zinc/53/33/63/348533363.db2.gz YBUIXAYOOXBSSJ-NSHDSACASA-N 1 2 263.341 2.219 10 0 CEAELO CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616662191 348552991 /nfs/dbraw/zinc/55/29/91/348552991.db2.gz DARXGXNSTHHYRK-GFCCVEGCSA-N 1 2 293.367 2.193 10 0 CEAELO CC(C)(C)OC(=O)N1CCO[C@@H](c2[nH]cc[nH+]2)CC1 ZINC000616663656 348553798 /nfs/dbraw/zinc/55/37/98/348553798.db2.gz WBXKQVOVZRGTSY-SNVBAGLBSA-N 1 2 267.329 2.108 10 0 CEAELO Nc1cc2c(cc1[NH2+]C[C@H]1CCCC[C@@H]1CO)OCCO2 ZINC000089523800 179809120 /nfs/dbraw/zinc/80/91/20/179809120.db2.gz JPSWMUUYBULCIG-VXGBXAGGSA-N 1 2 292.379 2.251 10 0 CEAELO COC(=O)c1cc(NC[C@H](C)CSC)cc[nH+]1 ZINC000090738258 180034105 /nfs/dbraw/zinc/03/41/05/180034105.db2.gz MQQIKJOVDQMQBU-VIFPVBQESA-N 1 2 254.355 2.279 10 0 CEAELO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874471 180050210 /nfs/dbraw/zinc/05/02/10/180050210.db2.gz SCTSVWKIJZZFAC-ZIAGYGMSSA-N 1 2 277.364 2.167 10 0 CEAELO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892546 180054232 /nfs/dbraw/zinc/05/42/32/180054232.db2.gz RFXYHTKMTIZMPK-UONOGXRCSA-N 1 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IAJWOLZFBHZPTB-LLVKDONJSA-N 1 2 275.396 2.278 10 0 CEAELO C[NH+](C)Cc1noc(-c2ccc(N)c(Br)c2)n1 ZINC000091685030 180225925 /nfs/dbraw/zinc/22/59/25/180225925.db2.gz WDVPSLUKXQTZDJ-UHFFFAOYSA-N 1 2 297.156 2.143 10 0 CEAELO Cc1cc(C)c(CC(=O)[C@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000091688254 180226272 /nfs/dbraw/zinc/22/62/72/180226272.db2.gz YIWGTGUTLMOEIK-MRXNPFEDSA-N 1 2 261.365 2.054 10 0 CEAELO Cc1cc(C)c(CC(=O)[C@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000091688254 180226274 /nfs/dbraw/zinc/22/62/74/180226274.db2.gz YIWGTGUTLMOEIK-MRXNPFEDSA-N 1 2 261.365 2.054 10 0 CEAELO C[N@@H+]1CCO[C@H](C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000091688588 180227001 /nfs/dbraw/zinc/22/70/01/180227001.db2.gz YUYFKASONXPPLE-YOEHRIQHSA-N 1 2 273.376 2.396 10 0 CEAELO C[N@H+]1CCO[C@H](C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000091688588 180227003 /nfs/dbraw/zinc/22/70/03/180227003.db2.gz YUYFKASONXPPLE-YOEHRIQHSA-N 1 2 273.376 2.396 10 0 CEAELO CCCNc1cc(CN2C(=O)[C@@H](C)[C@H](C)C2=O)cc[nH+]1 ZINC000092112251 180327439 /nfs/dbraw/zinc/32/74/39/180327439.db2.gz HNWZTXCHRLPMTA-QWRGUYRKSA-N 1 2 275.352 2.045 10 0 CEAELO CCNc1cc(C(=O)Nc2cc[nH+]c(C)c2)ccn1 ZINC000092366217 180368877 /nfs/dbraw/zinc/36/88/77/180368877.db2.gz HGCCQROYIPDEHA-UHFFFAOYSA-N 1 2 256.309 2.469 10 0 CEAELO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCO[C@H]2C)c1 ZINC000130627795 365975165 /nfs/dbraw/zinc/97/51/65/365975165.db2.gz FWDDGENOTSOSCD-GXTWGEPZSA-N 1 2 285.347 2.088 10 0 CEAELO C[C@@H]1CCCN(c2nc(Cl)nc(-n3cc[nH+]c3)n2)CC1 ZINC000110817351 186326867 /nfs/dbraw/zinc/32/68/67/186326867.db2.gz OMRIVVDMLVCZPZ-SNVBAGLBSA-N 1 2 292.774 2.337 10 0 CEAELO C[C@H]1CN(c2nc3c(s2)C(=O)CC(C)(C)C3)CC[N@@H+]1C ZINC000110758214 186321473 /nfs/dbraw/zinc/32/14/73/186321473.db2.gz UHIQDDLQNZMJGK-JTQLQIEISA-N 1 2 293.436 2.439 10 0 CEAELO C[C@H]1CN(c2nc3c(s2)C(=O)CC(C)(C)C3)CC[N@H+]1C ZINC000110758214 186321475 /nfs/dbraw/zinc/32/14/75/186321475.db2.gz UHIQDDLQNZMJGK-JTQLQIEISA-N 1 2 293.436 2.439 10 0 CEAELO C[C@@H]1CN(c2nc(C(C)(C)C)c(C=O)s2)CC[N@@H+]1C ZINC000110759579 186321755 /nfs/dbraw/zinc/32/17/55/186321755.db2.gz OEKAHGOFMLOAGO-SNVBAGLBSA-N 1 2 281.425 2.393 10 0 CEAELO C[C@@H]1CN(c2nc(C(C)(C)C)c(C=O)s2)CC[N@H+]1C ZINC000110759579 186321757 /nfs/dbraw/zinc/32/17/57/186321757.db2.gz OEKAHGOFMLOAGO-SNVBAGLBSA-N 1 2 281.425 2.393 10 0 CEAELO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2O)CC[N@@H+]1C ZINC000110761691 186323420 /nfs/dbraw/zinc/32/34/20/186323420.db2.gz XKRUZIZEVYOLRK-NSHDSACASA-N 1 2 282.771 2.212 10 0 CEAELO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2O)CC[N@H+]1C ZINC000110761691 186323421 /nfs/dbraw/zinc/32/34/21/186323421.db2.gz XKRUZIZEVYOLRK-NSHDSACASA-N 1 2 282.771 2.212 10 0 CEAELO COc1cccn2c(N)c(-c3ccc4c(c3)OCO4)[nH+]c12 ZINC000110782913 186324485 /nfs/dbraw/zinc/32/44/85/186324485.db2.gz YLCHUKBJYIOJTG-UHFFFAOYSA-N 1 2 283.287 2.321 10 0 CEAELO COc1cc(NC2(CO)CCCCC2)ccc1[NH3+] ZINC000111055600 186348807 /nfs/dbraw/zinc/34/88/07/186348807.db2.gz KGJPOTZTTFDPED-UHFFFAOYSA-N 1 2 250.342 2.385 10 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299.374 2.131 10 0 CEAELO CCCc1noc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000152451904 366696839 /nfs/dbraw/zinc/69/68/39/366696839.db2.gz VXZYNONWONLSRY-CYBMUJFWSA-N 1 2 288.351 2.070 10 0 CEAELO CCCc1noc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000152451904 366696846 /nfs/dbraw/zinc/69/68/46/366696846.db2.gz VXZYNONWONLSRY-CYBMUJFWSA-N 1 2 288.351 2.070 10 0 CEAELO CCc1noc([C@H](C)[N@@H+]2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152466498 366698393 /nfs/dbraw/zinc/69/83/93/366698393.db2.gz XLNXTBOCJIRIRB-AAEUAGOBSA-N 1 2 288.351 2.241 10 0 CEAELO CCc1noc([C@H](C)[N@H+]2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152466498 366698400 /nfs/dbraw/zinc/69/84/00/366698400.db2.gz XLNXTBOCJIRIRB-AAEUAGOBSA-N 1 2 288.351 2.241 10 0 CEAELO CCOC(=O)Cc1cn2c(cccc2Br)[nH+]1 ZINC000082048669 363750495 /nfs/dbraw/zinc/75/04/95/363750495.db2.gz QWMLJHQQNIZXHR-UHFFFAOYSA-N 1 2 283.125 2.202 10 0 CEAELO COC(=O)c1ccc(C[NH+]2[C@H](C)COC[C@H]2C)cc1F ZINC000089129573 363935764 /nfs/dbraw/zinc/93/57/64/363935764.db2.gz 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Cc1csc(N2CCCN(c3cc(C)[nH+]cn3)CC2)n1 ZINC000301275848 379241265 /nfs/dbraw/zinc/24/12/65/379241265.db2.gz WLXOBWFMKDOTDQ-UHFFFAOYSA-N 1 2 289.408 2.267 10 0 CEAELO Cc1cc(N(C)CC2CC(O)C2)nc(-c2ccncc2)[nH+]1 ZINC000302654104 379415294 /nfs/dbraw/zinc/41/52/94/379415294.db2.gz KKCYGLJDZHKMRF-UHFFFAOYSA-N 1 2 284.363 2.054 10 0 CEAELO COC(=O)c1cc([NH+]2C[C@H](C)[C@@H](C)C2)cc(C)c1N ZINC000094695942 184841515 /nfs/dbraw/zinc/84/15/15/184841515.db2.gz IKODEFUKTUDSAB-QWRGUYRKSA-N 1 2 262.353 2.456 10 0 CEAELO Cc1csc(CN2c3ccccc3C[NH2+]CC2=O)n1 ZINC000094976076 184909394 /nfs/dbraw/zinc/90/93/94/184909394.db2.gz YJFHBUZSLUAMBZ-UHFFFAOYSA-N 1 2 273.361 2.088 10 0 CEAELO COc1ncccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000095007202 184914660 /nfs/dbraw/zinc/91/46/60/184914660.db2.gz SHJASWBVWAADGT-CYBMUJFWSA-N 1 2 256.305 2.314 10 0 CEAELO Cc1cccc2[nH+]c(CNC(=O)[C@H]3CCCO[C@@H]3C)cn21 ZINC000191546454 130253162 /nfs/dbraw/zinc/25/31/62/130253162.db2.gz QLXUJQSWEVMPKU-OCCSQVGLSA-N 1 2 287.363 2.074 10 0 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10 0 CEAELO CC(C)COC1CC[NH+](Cc2nnc(C3CC3)n2C)CC1 ZINC000195097900 395459248 /nfs/dbraw/zinc/45/92/48/395459248.db2.gz IIMOLEZNUZPFRH-UHFFFAOYSA-N 1 2 292.427 2.330 10 0 CEAELO Cc1nnc(C[NH2+][C@@H](C)c2cc(F)ccc2F)[nH]1 ZINC000392410824 400543505 /nfs/dbraw/zinc/54/35/05/400543505.db2.gz ZDUJKEVBPXHTOR-ZETCQYMHSA-N 1 2 252.268 2.242 10 0 CEAELO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195373639 153285194 /nfs/dbraw/zinc/28/51/94/153285194.db2.gz JVGSMRABZQBZMK-GFCCVEGCSA-N 1 2 294.399 2.245 10 0 CEAELO CC(C)NC(=O)CC[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195373639 153285198 /nfs/dbraw/zinc/28/51/98/153285198.db2.gz JVGSMRABZQBZMK-GFCCVEGCSA-N 1 2 294.399 2.245 10 0 CEAELO CCc1csc([C@H]2CCC[N@@H+]([C@@H]3CCOC3=O)C2)n1 ZINC000195379336 153287961 /nfs/dbraw/zinc/28/79/61/153287961.db2.gz CPLKITJXFMRRLC-CMPLNLGQSA-N 1 2 280.393 2.200 10 0 CEAELO CCc1csc([C@H]2CCC[N@H+]([C@@H]3CCOC3=O)C2)n1 ZINC000195379336 153287965 /nfs/dbraw/zinc/28/79/65/153287965.db2.gz CPLKITJXFMRRLC-CMPLNLGQSA-N 1 2 280.393 2.200 10 0 CEAELO CC(C)Cc1noc(C[NH+]2CCC(c3cc[nH]n3)CC2)n1 ZINC000195505126 153293570 /nfs/dbraw/zinc/29/35/70/153293570.db2.gz NUVDZZSVLVLSNR-UHFFFAOYSA-N 1 2 289.383 2.371 10 0 CEAELO c1cc(C2CC[NH+](Cc3cn4ccccc4n3)CC2)[nH]n1 ZINC000195513390 153293692 /nfs/dbraw/zinc/29/36/92/153293692.db2.gz OILPSYZZEDDIAK-UHFFFAOYSA-N 1 2 281.363 2.437 10 0 CEAELO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230646137 153393640 /nfs/dbraw/zinc/39/36/40/153393640.db2.gz FZPYHYWKFWRESE-DLOVCJGASA-N 1 2 267.373 2.327 10 0 CEAELO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000230647655 153399511 /nfs/dbraw/zinc/39/95/11/153399511.db2.gz HCSWSMBTSQYVNH-WDEREUQCSA-N 1 2 267.373 2.327 10 0 CEAELO Cc1cc([C@H](C)NC(=O)[C@H]2CC(F)(F)C[NH2+]2)ccc1F ZINC000263312099 154054818 /nfs/dbraw/zinc/05/48/18/154054818.db2.gz YXFSEBJNSNCTOK-JOYOIKCWSA-N 1 2 286.297 2.309 10 0 CEAELO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000178722573 165256644 /nfs/dbraw/zinc/25/66/44/165256644.db2.gz JTSJUVKWSKPKOP-MNOVXSKESA-N 1 2 275.377 2.384 10 0 CEAELO CCc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1C ZINC000182002912 165361650 /nfs/dbraw/zinc/36/16/50/165361650.db2.gz RANWBSNLQMRBRF-OAHLLOKOSA-N 1 2 291.395 2.010 10 0 CEAELO CCc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1C ZINC000182002912 165361656 /nfs/dbraw/zinc/36/16/56/165361656.db2.gz RANWBSNLQMRBRF-OAHLLOKOSA-N 1 2 291.395 2.010 10 0 CEAELO CC1CC[NH+](CC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000005485613 170103809 /nfs/dbraw/zinc/10/38/09/170103809.db2.gz QJPOWMLIHPNXRE-UHFFFAOYSA-N 1 2 261.321 2.330 10 0 CEAELO CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@H+](CC=C(C)C)C1 ZINC000284457426 196061377 /nfs/dbraw/zinc/06/13/77/196061377.db2.gz ACAVCZCWZXSYGI-OLZOCXBDSA-N 1 2 276.384 2.410 10 0 CEAELO CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@@H+](CC=C(C)C)C1 ZINC000284457426 196061379 /nfs/dbraw/zinc/06/13/79/196061379.db2.gz ACAVCZCWZXSYGI-OLZOCXBDSA-N 1 2 276.384 2.410 10 0 CEAELO Fc1ccc(NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000020359396 171158423 /nfs/dbraw/zinc/15/84/23/171158423.db2.gz TWDZSRFDWPMNGS-UHFFFAOYSA-N 1 2 258.724 2.223 10 0 CEAELO O=Cc1ccc(Br)cc1-n1cc[nH+]c1 ZINC000036670391 172648329 /nfs/dbraw/zinc/64/83/29/172648329.db2.gz IULBMMBSCRGIEF-UHFFFAOYSA-N 1 2 251.083 2.447 10 0 CEAELO C=COCCC[NH2+][C@@H](c1ccco1)c1nccn1C ZINC000037239175 173055897 /nfs/dbraw/zinc/05/58/97/173055897.db2.gz VRTDJVVOLGDYHS-ZDUSSCGKSA-N 1 2 261.325 2.242 10 0 CEAELO CCCOc1ccc([C@@](C)([NH3+])C(=O)OCC)cc1 ZINC000037514809 173246849 /nfs/dbraw/zinc/24/68/49/173246849.db2.gz YIGPWXHERITXEJ-CQSZACIVSA-N 1 2 251.326 2.212 10 0 CEAELO CCn1c(C[NH2+]Cc2ccnc(C)n2)nc2ccccc21 ZINC000038046893 174055629 /nfs/dbraw/zinc/05/56/29/174055629.db2.gz ZGEKDGOPRWCCSO-UHFFFAOYSA-N 1 2 281.363 2.444 10 0 CEAELO COc1cccc(CNc2cc(C(N)=S)cc[nH+]2)c1 ZINC000038078090 174087889 /nfs/dbraw/zinc/08/78/89/174087889.db2.gz QMYLPMWCGONCBH-UHFFFAOYSA-N 1 2 273.361 2.337 10 0 CEAELO COCCNc1nc[nH+]c(Nc2cc(C)cc(C)c2)c1N ZINC000040682053 174375372 /nfs/dbraw/zinc/37/53/72/174375372.db2.gz WISFBZVELCZLDF-UHFFFAOYSA-N 1 2 287.367 2.478 10 0 CEAELO CC(C)Nc1[nH+]cnc(NNc2ccccc2)c1N ZINC000040708107 174380297 /nfs/dbraw/zinc/38/02/97/174380297.db2.gz FHJDXWSPTOEAIC-UHFFFAOYSA-N 1 2 258.329 2.318 10 0 CEAELO C[C@@H](CNc1cc[nH+]c(C(=O)[O-])c1)[NH+]1CCCCC1 ZINC000045011013 175289778 /nfs/dbraw/zinc/28/97/78/175289778.db2.gz QWDGRXQOELKXJJ-NSHDSACASA-N 1 2 263.341 2.066 10 0 CEAELO Nc1nc2c(cccc2F)n1CCCCn1cc[nH+]c1 ZINC000045108612 175308915 /nfs/dbraw/zinc/30/89/15/175308915.db2.gz PZEWWSIKBKRUPO-UHFFFAOYSA-N 1 2 273.315 2.435 10 0 CEAELO CC(C)[N@@H+]1CC[C@H](C[NH2+]c2ccc(N)c(C(=O)[O-])c2)C1 ZINC000045141361 175315950 /nfs/dbraw/zinc/31/59/50/175315950.db2.gz YSBYAPOUZIPKCH-LLVKDONJSA-N 1 2 277.368 2.109 10 0 CEAELO CC(C)[N@H+]1CC[C@H](C[NH2+]c2ccc(N)c(C(=O)[O-])c2)C1 ZINC000045141361 175315951 /nfs/dbraw/zinc/31/59/51/175315951.db2.gz YSBYAPOUZIPKCH-LLVKDONJSA-N 1 2 277.368 2.109 10 0 CEAELO CC[NH2+][C@@](C)(CCN(CC)c1ccccc1)C(=O)OC ZINC000045232153 175335510 /nfs/dbraw/zinc/33/55/10/175335510.db2.gz SEIHEFJMYXFUEN-INIZCTEOSA-N 1 2 278.396 2.444 10 0 CEAELO CCCC[NH+](CCCC)C[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045232677 175336029 /nfs/dbraw/zinc/33/60/29/175336029.db2.gz XJQLXJNVNWJPOK-HNNXBMFYSA-N 1 2 270.417 2.484 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274662 175345139 /nfs/dbraw/zinc/34/51/39/175345139.db2.gz WQEZDVSVCGOPKP-FZMZJTMJSA-N 1 2 258.406 2.196 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274662 175345141 /nfs/dbraw/zinc/34/51/41/175345141.db2.gz WQEZDVSVCGOPKP-FZMZJTMJSA-N 1 2 258.406 2.196 10 0 CEAELO CCOC(=O)[C@@H](CN1c2ccccc2C[C@@H]1C)[NH2+]C(C)C ZINC000045368943 175363720 /nfs/dbraw/zinc/36/37/20/175363720.db2.gz CYBMMAPSOSGXOO-DZGCQCFKSA-N 1 2 290.407 2.367 10 0 CEAELO COC(=O)[C@@]1([NH2+]C2CCCCCC2)CCCOC1 ZINC000070465444 175945915 /nfs/dbraw/zinc/94/59/15/175945915.db2.gz WTKXZLVYIUJDOY-CQSZACIVSA-N 1 2 255.358 2.021 10 0 CEAELO COC(=O)[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)C(C)C ZINC000071090635 176031413 /nfs/dbraw/zinc/03/14/13/176031413.db2.gz KYPAPNAVUYWUPU-LSDHHAIUSA-N 1 2 277.364 2.088 10 0 CEAELO CNc1[nH+]cccc1Cn1cc(C(F)(F)F)ccc1=O ZINC000071212080 176083813 /nfs/dbraw/zinc/08/38/13/176083813.db2.gz KDYPHMAMTYIJLV-UHFFFAOYSA-N 1 2 283.253 2.352 10 0 CEAELO CC[C@@H]1COCC[N@@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265834 176099561 /nfs/dbraw/zinc/09/95/61/176099561.db2.gz BNKOQVJZSIFWEP-GFCCVEGCSA-N 1 2 282.384 2.071 10 0 CEAELO CC[C@@H]1COCC[N@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265834 176099563 /nfs/dbraw/zinc/09/95/63/176099563.db2.gz BNKOQVJZSIFWEP-GFCCVEGCSA-N 1 2 282.384 2.071 10 0 CEAELO Cc1cn2ccc(C(=O)NCc3ccco3)cc2[nH+]1 ZINC000071540728 176195564 /nfs/dbraw/zinc/19/55/64/176195564.db2.gz WTQQRXXUJYJLSG-UHFFFAOYSA-N 1 2 255.277 2.166 10 0 CEAELO Cc1ccn2cc(CC(=O)NCCC(C)C)[nH+]c2c1 ZINC000071541268 176195601 /nfs/dbraw/zinc/19/56/01/176195601.db2.gz OWHYEOMIWVOGPA-UHFFFAOYSA-N 1 2 259.353 2.348 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1ccc(Cl)s1 ZINC000078742597 177380525 /nfs/dbraw/zinc/38/05/25/177380525.db2.gz JGBMHJMOEVIHBC-UHFFFAOYSA-N 1 2 255.730 2.097 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1ccc(Cl)s1 ZINC000078742597 177380526 /nfs/dbraw/zinc/38/05/26/177380526.db2.gz JGBMHJMOEVIHBC-UHFFFAOYSA-N 1 2 255.730 2.097 10 0 CEAELO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000074902160 419408733 /nfs/dbraw/zinc/40/87/33/419408733.db2.gz OQLUNQPZQHGZOA-CYBMUJFWSA-N 1 2 297.786 2.134 10 0 CEAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000074902160 419408740 /nfs/dbraw/zinc/40/87/40/419408740.db2.gz OQLUNQPZQHGZOA-CYBMUJFWSA-N 1 2 297.786 2.134 10 0 CEAELO Cn1cc([C@@H]2OCC[C@H]2CNc2cc[nH+]c(C3CC3)n2)cn1 ZINC000665748205 419427511 /nfs/dbraw/zinc/42/75/11/419427511.db2.gz UNXWAGAUFNFCTE-SWLSCSKDSA-N 1 2 299.378 2.277 10 0 CEAELO C[C@@H](NC(=O)NCC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875877 260288319 /nfs/dbraw/zinc/28/83/19/260288319.db2.gz RJSHTZWGHSKCAF-SNVBAGLBSA-N 1 2 294.305 2.498 10 0 CEAELO CC(C)(C)CCNC(=O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249743616 278316462 /nfs/dbraw/zinc/31/64/62/278316462.db2.gz KSTVAARANUVUFE-KGLIPLIRSA-N 1 2 282.428 2.182 10 0 CEAELO CC(C)(C)CCNC(=O)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249743616 278316466 /nfs/dbraw/zinc/31/64/66/278316466.db2.gz KSTVAARANUVUFE-KGLIPLIRSA-N 1 2 282.428 2.182 10 0 CEAELO COc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000171702593 280097856 /nfs/dbraw/zinc/09/78/56/280097856.db2.gz LBQFZYRYPRGVSE-NSHDSACASA-N 1 2 280.393 2.071 10 0 CEAELO COc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)cc1 ZINC000171702593 280097857 /nfs/dbraw/zinc/09/78/57/280097857.db2.gz LBQFZYRYPRGVSE-NSHDSACASA-N 1 2 280.393 2.071 10 0 CEAELO Cc1cccc2[nH+]c(CN3[C@@H](C)COC[C@@H]3C)cn21 ZINC000120820760 281317580 /nfs/dbraw/zinc/31/75/80/281317580.db2.gz GLKQZGSAGISRGE-STQMWFEESA-N 1 2 259.353 2.252 10 0 CEAELO C[C@@H]1[C@H](C)SCCN1c1nc[nH+]c(N)c1Cl ZINC000235390694 289027859 /nfs/dbraw/zinc/02/78/59/289027859.db2.gz FVUOTFGDHQIRBP-RQJHMYQMSA-N 1 2 258.778 2.042 10 0 CEAELO C[C@@H](CNC(=O)CC1(C)CCCCC1)[NH+]1CCOCC1 ZINC000163138712 297458593 /nfs/dbraw/zinc/45/85/93/297458593.db2.gz RSSQVVQKNBALFA-AWEZNQCLSA-N 1 2 282.428 2.184 10 0 CEAELO C[C@@H]1C[N@H+](C)C[C@H](c2nc(-c3ccsc3)no2)O1 ZINC000527542362 313184422 /nfs/dbraw/zinc/18/44/22/313184422.db2.gz BOFPRSAZUGGVNZ-PSASIEDQSA-N 1 2 265.338 2.190 10 0 CEAELO C[C@@H]1C[N@@H+](C)C[C@H](c2nc(-c3ccsc3)no2)O1 ZINC000527542362 313184423 /nfs/dbraw/zinc/18/44/23/313184423.db2.gz BOFPRSAZUGGVNZ-PSASIEDQSA-N 1 2 265.338 2.190 10 0 CEAELO COC(=O)[C@@H]1C[C@@H](Oc2c(C)cc(C)cc2Cl)C[NH2+]1 ZINC000098089360 328701728 /nfs/dbraw/zinc/70/17/28/328701728.db2.gz ZGNHGSVHTQEWHK-PWSUYJOCSA-N 1 2 283.755 2.239 10 0 CEAELO CCCC1CC[NH+](CC(=O)CC(=O)OCC)CC1 ZINC000068814601 519901126 /nfs/dbraw/zinc/90/11/26/519901126.db2.gz OVPCPKQMTOYHSX-UHFFFAOYSA-N 1 2 255.358 2.021 10 0 CEAELO CC[NH2+][C@H](CCOc1cccc(F)c1)C(=O)OCC ZINC000062550353 520193231 /nfs/dbraw/zinc/19/32/31/520193231.db2.gz LESWAKVIIWJYQH-CYBMUJFWSA-N 1 2 269.316 2.136 10 0 CEAELO CCCCSC[C@]([NH2+]C)(C(=O)OCC)C1CC1 ZINC000069184205 520957897 /nfs/dbraw/zinc/95/78/97/520957897.db2.gz GIYWYLKWLPRMCB-CYBMUJFWSA-N 1 2 259.415 2.451 10 0 CEAELO CC[C@@H](C)C[N@H+](C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069098574 521970380 /nfs/dbraw/zinc/97/03/80/521970380.db2.gz LQDVUVJUGWCIDG-IUODEOHRSA-N 1 2 270.417 2.196 10 0 CEAELO CC[C@@H](C)C[N@@H+](C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069098574 521970390 /nfs/dbraw/zinc/97/03/90/521970390.db2.gz LQDVUVJUGWCIDG-IUODEOHRSA-N 1 2 270.417 2.196 10 0 CEAELO C[NH2+][C@@H](CCOc1c(C)cc(C)cc1C)C(=O)OC ZINC000062541374 522346749 /nfs/dbraw/zinc/34/67/49/522346749.db2.gz JDMGZINUJBTNAP-ZDUSSCGKSA-N 1 2 265.353 2.142 10 0 CEAELO C[NH2+][C@H](CCOc1c(C)ccc(C)c1C)C(=O)OC ZINC000062594457 522461625 /nfs/dbraw/zinc/46/16/25/522461625.db2.gz LKTXOXCUTOHBPB-CYBMUJFWSA-N 1 2 265.353 2.142 10 0 CEAELO CCC[NH2+][C@@](C)(CN(C)c1cccc(C)c1)C(=O)OC ZINC000049990390 520037040 /nfs/dbraw/zinc/03/70/40/520037040.db2.gz GWUNACVPWORFRG-INIZCTEOSA-N 1 2 278.396 2.363 10 0 CEAELO CCC[NH2+][C@@](COC(C)(C)C)(C(=O)OC)C1CC1 ZINC000069195664 520054554 /nfs/dbraw/zinc/05/45/54/520054554.db2.gz ZPLXRICJTRJMCK-CQSZACIVSA-N 1 2 257.374 2.123 10 0 CEAELO CC[NH2+][C@@H](CCSc1ccc(OC)cc1)C(=O)OC ZINC000062599096 520094205 /nfs/dbraw/zinc/09/42/05/520094205.db2.gz GFZBDGLXDXOMQU-ZDUSSCGKSA-N 1 2 283.393 2.329 10 0 CEAELO CCN(C(=O)c1cccc(NN)[nH+]1)c1cccc(F)c1 ZINC000051094747 520099313 /nfs/dbraw/zinc/09/93/13/520099313.db2.gz VHOLYBAKUCZWNW-UHFFFAOYSA-N 1 2 274.299 2.173 10 0 CEAELO CC[NH2+][C@@H](c1nnc(COCC)o1)c1ccccc1 ZINC000050618125 520113587 /nfs/dbraw/zinc/11/35/87/520113587.db2.gz XYFZDPRLQRWMGI-CYBMUJFWSA-N 1 2 261.325 2.305 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)OCCOC(C)C)C(=O)OCC ZINC000068654324 520143085 /nfs/dbraw/zinc/14/30/85/520143085.db2.gz KNBQMSZFTZECNT-HIFRSBDPSA-N 1 2 289.416 2.138 10 0 CEAELO CCCNc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)C3(C)C)c[nH+]1 ZINC000068689854 520154471 /nfs/dbraw/zinc/15/44/71/520154471.db2.gz MTCWTFGKZUOHSK-BETUJISGSA-N 1 2 287.363 2.045 10 0 CEAELO CC[NH2+][C@@](COCCC(C)C)(C(=O)OCC)C1CC1 ZINC000069196233 520156244 /nfs/dbraw/zinc/15/62/44/520156244.db2.gz VTJXRVVTXUKRGO-OAHLLOKOSA-N 1 2 271.401 2.371 10 0 CEAELO CC[NH2+][C@H](CCN1c2ccccc2C[C@@H]1C)C(=O)OCC ZINC000062437245 520191169 /nfs/dbraw/zinc/19/11/69/520191169.db2.gz LMAQOLZKBFNLHT-DZGCQCFKSA-N 1 2 290.407 2.369 10 0 CEAELO CCCNc1[nH+]cnc2c1cnn2[C@H]1CCCC[C@H]1O ZINC000062367160 520200109 /nfs/dbraw/zinc/20/01/09/520200109.db2.gz XGFNDSJSOUQBEH-NWDGAFQWSA-N 1 2 275.356 2.124 10 0 CEAELO CC[NH2+][C@H](c1ncccn1)c1ccc(OC)cc1OC ZINC000055232897 520212788 /nfs/dbraw/zinc/21/27/88/520212788.db2.gz FBOXCOHKOPMSDV-AWEZNQCLSA-N 1 2 273.336 2.193 10 0 CEAELO CC[NH2+][C@](C)(CCn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062807980 520232272 /nfs/dbraw/zinc/23/22/72/520232272.db2.gz GLPVDICZEFQMBM-MRXNPFEDSA-N 1 2 289.379 2.442 10 0 CEAELO CCCCCOC[C@]([NH2+]CC)(C(=O)OC)C1CC1 ZINC000069198094 520245341 /nfs/dbraw/zinc/24/53/41/520245341.db2.gz ZBMUBNLFGFPZTO-CQSZACIVSA-N 1 2 257.374 2.125 10 0 CEAELO CC[NH2+][C@](CN(CC)c1ccccc1)(C(=O)OC)C1CC1 ZINC000069096346 520246842 /nfs/dbraw/zinc/24/68/42/520246842.db2.gz JPZALIOYFCXJLR-KRWDZBQOSA-N 1 2 290.407 2.444 10 0 CEAELO CC[NH2+][C@](CO[C@H](C)CC)(C(=O)OCC)C1CC1 ZINC000069198272 520251686 /nfs/dbraw/zinc/25/16/86/520251686.db2.gz NHSAJEOSUJQVRB-RISCZKNCSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)C1([NH2+]CCOC)CCC(C(F)(F)F)CC1 ZINC000069375558 520469505 /nfs/dbraw/zinc/46/95/05/520469505.db2.gz VELMSZNSNZGMKW-UHFFFAOYSA-N 1 2 297.317 2.277 10 0 CEAELO CCOC(=O)[C@@H](CCOCC1CCCCC1)[NH2+]C ZINC000062596021 521060282 /nfs/dbraw/zinc/06/02/82/521060282.db2.gz UYCHYBJITJTBMM-CYBMUJFWSA-N 1 2 257.374 2.125 10 0 CEAELO CCOC(=O)[C@](C)(CCCOC1CCC1)[NH2+]C1CC1 ZINC000050521497 521319143 /nfs/dbraw/zinc/31/91/43/521319143.db2.gz OOFHVIAHPVWYLP-HNNXBMFYSA-N 1 2 269.385 2.410 10 0 CEAELO CCCc1[nH+]c(-c2cccc(Cl)c2)c(N)n1N ZINC000052839351 521465198 /nfs/dbraw/zinc/46/51/98/521465198.db2.gz GOANVRWFVWEIBG-UHFFFAOYSA-N 1 2 250.733 2.452 10 0 CEAELO CCCN(CCC)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061535701 521651271 /nfs/dbraw/zinc/65/12/71/521651271.db2.gz VEYSVEBJFOPPLX-UHFFFAOYSA-N 1 2 280.763 2.337 10 0 CEAELO CN(C)Cn1c2ccccc2n(C[NH+](C)C)c1=S ZINC000059517842 521938585 /nfs/dbraw/zinc/93/85/85/521938585.db2.gz BWIHYJAVIZYPNO-UHFFFAOYSA-N 1 2 264.398 2.210 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)Sc1nc(C)cc(C)n1)C(=O)OC ZINC000068640591 522420363 /nfs/dbraw/zinc/42/03/63/522420363.db2.gz AWXQPIPDDRRBRR-RISCZKNCSA-N 1 2 297.424 2.115 10 0 CEAELO C[NH2+][C@](CSc1cccc(OC)c1)(C(=O)OC)C1CC1 ZINC000069186395 522531542 /nfs/dbraw/zinc/53/15/42/522531542.db2.gz JFPKNQGMIQJHHR-HNNXBMFYSA-N 1 2 295.404 2.329 10 0 CEAELO CNc1[nH+]cccc1Cn1c2ccccc2nc(C)c1=O ZINC000052733974 522711953 /nfs/dbraw/zinc/71/19/53/522711953.db2.gz YTDCGFATLAWUAO-UHFFFAOYSA-N 1 2 280.331 2.190 10 0 CEAELO CCn1cc[nH+]c1-n1nc(C)c(Br)c1C ZINC000050614461 523512109 /nfs/dbraw/zinc/51/21/09/523512109.db2.gz VPFCVNRKQZJMHK-UHFFFAOYSA-N 1 2 269.146 2.468 10 0 CEAELO COC(=O)[C@@](C)(CCOc1cc(F)cc(F)c1)[NH2+]C1CC1 ZINC000054934157 523815239 /nfs/dbraw/zinc/81/52/39/523815239.db2.gz XBBNCIADSNVILX-OAHLLOKOSA-N 1 2 299.317 2.417 10 0 CEAELO COC(=O)[C@@](C)(C[C@H](C)Sc1nccn1C)[NH2+]C(C)C ZINC000068632088 523816669 /nfs/dbraw/zinc/81/66/69/523816669.db2.gz VWAWKVAONWUFBY-SMDDNHRTSA-N 1 2 299.440 2.221 10 0 CEAELO COC(=O)[C@@](COc1ccccc1C)([NH2+]C1CC1)C1CC1 ZINC000069197499 523824000 /nfs/dbraw/zinc/82/40/00/523824000.db2.gz PYNJTZGCYJRKCE-KRWDZBQOSA-N 1 2 289.375 2.448 10 0 CEAELO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050443128 524081530 /nfs/dbraw/zinc/08/15/30/524081530.db2.gz BIFHBJITSZYLQB-ZDUSSCGKSA-N 1 2 281.787 2.023 10 0 CEAELO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1N ZINC000050443128 524081531 /nfs/dbraw/zinc/08/15/31/524081531.db2.gz BIFHBJITSZYLQB-ZDUSSCGKSA-N 1 2 281.787 2.023 10 0 CEAELO C[C@@H]1CCCCN1c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061535426 524120703 /nfs/dbraw/zinc/12/07/03/524120703.db2.gz VNJGHYIOQRTUAY-SECBINFHSA-N 1 2 278.747 2.090 10 0 CEAELO COc1ccc(Cc2nc(N)c(C)c(C)[nH+]2)cc1OC ZINC000050847358 524164842 /nfs/dbraw/zinc/16/48/42/524164842.db2.gz SFXSWEPJSVMRJA-UHFFFAOYSA-N 1 2 273.336 2.284 10 0 CEAELO Cc1ccc(C)c(S(=O)(=O)Nc2cc[nH+]cc2N)c1 ZINC000062725958 524195374 /nfs/dbraw/zinc/19/53/74/524195374.db2.gz QKYIXEGZMVDDPH-UHFFFAOYSA-N 1 2 277.349 2.081 10 0 CEAELO Cc1ccc(Cl)c(NC(=O)C[N@H+](C)CCO)c1Cl ZINC000049633381 524702307 /nfs/dbraw/zinc/70/23/07/524702307.db2.gz BMEYNFVERHHKPN-UHFFFAOYSA-N 1 2 291.178 2.164 10 0 CEAELO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)CCO)c1Cl ZINC000049633381 524702314 /nfs/dbraw/zinc/70/23/14/524702314.db2.gz BMEYNFVERHHKPN-UHFFFAOYSA-N 1 2 291.178 2.164 10 0 CEAELO C[C@@H](Cn1cc[nH+]c1)Nc1c(F)cc(N)cc1F ZINC000049234814 524960856 /nfs/dbraw/zinc/96/08/56/524960856.db2.gz CCMCGEKXROZEIA-QMMMGPOBSA-N 1 2 252.268 2.244 10 0 CEAELO C[C@@H]1CSCCN1c1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000070222580 525171458 /nfs/dbraw/zinc/17/14/58/525171458.db2.gz QRHKPQZELDYNLY-SECBINFHSA-N 1 2 293.461 2.146 10 0 CEAELO Cc1ccc(C(=O)[C@H](C)[NH+]2CCC(O)CC2)cc1C ZINC000049537547 526240628 /nfs/dbraw/zinc/24/06/28/526240628.db2.gz VRZRJXWPDJXOHM-ZDUSSCGKSA-N 1 2 261.365 2.331 10 0 CEAELO Cc1csc(C[NH2+]Cc2cnc3cc(C)nn3c2)n1 ZINC000070166192 526358816 /nfs/dbraw/zinc/35/88/16/526358816.db2.gz AEEZECCHCZGBQF-UHFFFAOYSA-N 1 2 273.365 2.092 10 0 CEAELO Cc1csc(CNc2[nH+]cccc2C(N)=S)n1 ZINC000049534767 526363494 /nfs/dbraw/zinc/36/34/94/526363494.db2.gz FAHCLUJVVZGQAQ-UHFFFAOYSA-N 1 2 264.379 2.093 10 0 CEAELO c1[nH]cc(-c2ccc(NCc3cnccn3)cc2)[nH+]1 ZINC000054766160 526591576 /nfs/dbraw/zinc/59/15/76/526591576.db2.gz PHGHNUIWCXGIAO-UHFFFAOYSA-N 1 2 251.293 2.479 10 0 CEAELO O=C(N[C@@H]1C=CCCC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000157906441 526875773 /nfs/dbraw/zinc/87/57/73/526875773.db2.gz JRLMPMUKNWMARL-KGLIPLIRSA-N 1 2 274.368 2.166 10 0 CEAELO NC(=O)[C@H]([NH2+]Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000062712312 526996931 /nfs/dbraw/zinc/99/69/31/526996931.db2.gz BWOWDNLVUQYLKR-CQSZACIVSA-N 1 2 294.276 2.420 10 0 CEAELO Cn1cc(CNc2cccc(Cl)c2-n2cc[nH+]c2)nn1 ZINC000054859273 527226644 /nfs/dbraw/zinc/22/66/44/527226644.db2.gz RXQOKENYAYTGCX-UHFFFAOYSA-N 1 2 288.742 2.266 10 0 CEAELO O=S(=O)(c1ccc(NCc2c[nH+]c[nH]2)cc1)C(F)F ZINC000054764341 527277296 /nfs/dbraw/zinc/27/72/96/527277296.db2.gz YBOLTXZWYKQNCJ-UHFFFAOYSA-N 1 2 287.291 2.018 10 0 CEAELO O=S(=O)(c1ccc(NCc2c[nH]c[nH+]2)cc1)C(F)F ZINC000054764341 527277299 /nfs/dbraw/zinc/27/72/99/527277299.db2.gz YBOLTXZWYKQNCJ-UHFFFAOYSA-N 1 2 287.291 2.018 10 0 CEAELO Cc1ncc(CNc2cc(C(N)=S)cc[nH+]2)s1 ZINC000049534733 527279161 /nfs/dbraw/zinc/27/91/61/527279161.db2.gz ZSECAXKXENAUBL-UHFFFAOYSA-N 1 2 264.379 2.093 10 0 CEAELO O=c1c2ccsc2[nH]c(=S)n1CC[NH+]1CCCCC1 ZINC000049575384 527469067 /nfs/dbraw/zinc/46/90/67/527469067.db2.gz UBDONUMGLNMRAG-UHFFFAOYSA-N 1 2 295.433 2.233 10 0 CEAELO COC(=O)[C@@H](C)[C@@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000093029490 536442691 /nfs/dbraw/zinc/44/26/91/536442691.db2.gz GTYDROKEGCXSSH-QWHCGFSZSA-N 1 2 292.379 2.133 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NOCc1ccccc1)C2 ZINC000163488871 627353798 /nfs/dbraw/zinc/35/37/98/627353798.db2.gz XEUSEOHGCRSPAL-ZDUSSCGKSA-N 1 2 285.347 2.071 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NOCc1ccccc1)CC2 ZINC000163488871 627353801 /nfs/dbraw/zinc/35/38/01/627353801.db2.gz XEUSEOHGCRSPAL-ZDUSSCGKSA-N 1 2 285.347 2.071 10 0 CEAELO COC(=O)[C@@H]([NH2+]C[Si](C)(C)C)c1ccccc1 ZINC000203880282 631542308 /nfs/dbraw/zinc/54/23/08/631542308.db2.gz DVFWCJMWCPVOQB-LBPRGKRZSA-N 1 2 251.402 2.368 10 0 CEAELO Cc1cnc([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)o1 ZINC000230644622 639775530 /nfs/dbraw/zinc/77/55/30/639775530.db2.gz VCLPSKDJGAFRAJ-JTQLQIEISA-N 1 2 269.345 2.158 10 0 CEAELO CCCCCC[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000173067692 639840701 /nfs/dbraw/zinc/84/07/01/639840701.db2.gz MWUYDNSYKNWQCW-LSDHHAIUSA-N 1 2 284.444 2.430 10 0 CEAELO CCC[C@H]([NH3+])c1nc(-c2ccc(O)c(F)c2)no1 ZINC000232348580 639914648 /nfs/dbraw/zinc/91/46/48/639914648.db2.gz XVWQOXNQRQXWFX-VIFPVBQESA-N 1 2 251.261 2.381 10 0 CEAELO Cc1nnc([C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H](C)O2)o1 ZINC000852609600 643489155 /nfs/dbraw/zinc/48/91/55/643489155.db2.gz SDLZXLKIXNAHDB-LDYMZIIASA-N 1 2 287.310 2.185 10 0 CEAELO Cc1nnc([C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H](C)O2)o1 ZINC000852609600 643489159 /nfs/dbraw/zinc/48/91/59/643489159.db2.gz SDLZXLKIXNAHDB-LDYMZIIASA-N 1 2 287.310 2.185 10 0 CEAELO CCCNc1cc(N[C@@H](C)[C@@H]2CCCO2)nc[nH+]1 ZINC000129374516 651934061 /nfs/dbraw/zinc/93/40/61/651934061.db2.gz HOSFSADHRQDICN-QWRGUYRKSA-N 1 2 250.346 2.278 10 0 CEAELO CCCNc1cc(N[C@@H](C)[C@@H]2CCCO2)[nH+]cn1 ZINC000129374516 651934064 /nfs/dbraw/zinc/93/40/64/651934064.db2.gz HOSFSADHRQDICN-QWRGUYRKSA-N 1 2 250.346 2.278 10 0 CEAELO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC000095531497 185004889 /nfs/dbraw/zinc/00/48/89/185004889.db2.gz GWDXIRCUAGZHSG-ZDUSSCGKSA-N 1 2 272.352 2.251 10 0 CEAELO CCn1cc[nH+]c1CNc1ccc(S(C)(=O)=O)cc1C ZINC000124498661 187140043 /nfs/dbraw/zinc/14/00/43/187140043.db2.gz BCZHIHHYVJGTMK-UHFFFAOYSA-N 1 2 293.392 2.227 10 0 CEAELO C[C@@H]1CC[C@@H]([N@@H+]2CCC(C)(C)S(=O)(=O)CC2)C1 ZINC000336386068 365566719 /nfs/dbraw/zinc/56/67/19/365566719.db2.gz BWAPJHLMKPXOMA-VXGBXAGGSA-N 1 2 259.415 2.074 10 0 CEAELO C[C@@H]1CC[C@@H]([N@H+]2CCC(C)(C)S(=O)(=O)CC2)C1 ZINC000336386068 365566722 /nfs/dbraw/zinc/56/67/22/365566722.db2.gz BWAPJHLMKPXOMA-VXGBXAGGSA-N 1 2 259.415 2.074 10 0 CEAELO CCCCNC(=O)CCc1c(C)[nH+]c2ccccn21 ZINC000096771772 185112089 /nfs/dbraw/zinc/11/20/89/185112089.db2.gz FMYBISJIEQGIHL-UHFFFAOYSA-N 1 2 259.353 2.492 10 0 CEAELO CCC[N@@H+]1CCc2nc(Cl)cc(C(=O)OC)c2C1 ZINC000725260297 539206886 /nfs/dbraw/zinc/20/68/86/539206886.db2.gz PLFBEXZKSPIRDS-UHFFFAOYSA-N 1 2 268.744 2.290 10 0 CEAELO CCC[N@H+]1CCc2nc(Cl)cc(C(=O)OC)c2C1 ZINC000725260297 539206887 /nfs/dbraw/zinc/20/68/87/539206887.db2.gz PLFBEXZKSPIRDS-UHFFFAOYSA-N 1 2 268.744 2.290 10 0 CEAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccnc1 ZINC000126037621 187212478 /nfs/dbraw/zinc/21/24/78/187212478.db2.gz VVMRJPXKEKJHHP-DGCLKSJQSA-N 1 2 271.368 2.421 10 0 CEAELO Cc1cc(N)nc(SCc2nc(CC(C)C)no2)[nH+]1 ZINC000041786311 362050808 /nfs/dbraw/zinc/05/08/08/362050808.db2.gz PIHYXKLSUIEDQV-UHFFFAOYSA-N 1 2 279.369 2.241 10 0 CEAELO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2c(O)cc(F)cc2F)C1 ZINC000246339733 539319116 /nfs/dbraw/zinc/31/91/16/539319116.db2.gz GVMXIXNWQJNMFV-JOYOIKCWSA-N 1 2 298.333 2.129 10 0 CEAELO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2c(O)cc(F)cc2F)C1 ZINC000246339733 539319118 /nfs/dbraw/zinc/31/91/18/539319118.db2.gz GVMXIXNWQJNMFV-JOYOIKCWSA-N 1 2 298.333 2.129 10 0 CEAELO OCC1CC[NH+](Cc2coc(Br)c2)CC1 ZINC000307251892 344721222 /nfs/dbraw/zinc/72/12/22/344721222.db2.gz QZIAPLULACNROZ-UHFFFAOYSA-N 1 2 274.158 2.246 10 0 CEAELO Cc1ccoc1C(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000328632499 344757421 /nfs/dbraw/zinc/75/74/21/344757421.db2.gz RZVQSFVZKHBFFB-GFCCVEGCSA-N 1 2 273.336 2.119 10 0 CEAELO C[C@@H](C(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1)c1cccnc1 ZINC000328625252 344756147 /nfs/dbraw/zinc/75/61/47/344756147.db2.gz KNHMIXUETBUEKT-ZIAGYGMSSA-N 1 2 298.390 2.103 10 0 CEAELO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1nnnn1C(C)C ZINC000140731043 282396423 /nfs/dbraw/zinc/39/64/23/282396423.db2.gz GASQJECZRYMNNS-STQMWFEESA-N 1 2 295.431 2.280 10 0 CEAELO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1nnnn1C(C)C ZINC000140731043 282396426 /nfs/dbraw/zinc/39/64/26/282396426.db2.gz GASQJECZRYMNNS-STQMWFEESA-N 1 2 295.431 2.280 10 0 CEAELO Cc1[nH+]c2ccccc2n1[C@@H](C)C[C@@](C)([NH3+])C(=O)[O-] ZINC000084362299 178870574 /nfs/dbraw/zinc/87/05/74/178870574.db2.gz RDUJVPAIIULMGE-LKFCYVNXSA-N 1 2 261.325 2.098 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)n1cc(Cl)c(C)n1)C(=O)OC ZINC000084365240 178874268 /nfs/dbraw/zinc/87/42/68/178874268.db2.gz SBQJFAACALPADN-RNCFNFMXSA-N 1 2 287.791 2.337 10 0 CEAELO CCCn1cc[nH+]c1[C@H](NN)c1ccc(C)cc1F ZINC000097736130 185658459 /nfs/dbraw/zinc/65/84/59/185658459.db2.gz OMOCKBVJXLIKQZ-CYBMUJFWSA-N 1 2 262.332 2.293 10 0 CEAELO Cc1nn(-c2cc[nH+]c(N(C)C)n2)c(C)c1Br ZINC000085432300 179060360 /nfs/dbraw/zinc/06/03/60/179060360.db2.gz DKDMNQSZMCFYLO-UHFFFAOYSA-N 1 2 296.172 2.108 10 0 CEAELO CCc1nc(N)c(I)c(C2CC2)[nH+]1 ZINC000085462882 179069272 /nfs/dbraw/zinc/06/92/72/179069272.db2.gz AKBQHXPOBBQNMD-UHFFFAOYSA-N 1 2 289.120 2.103 10 0 CEAELO OC[C@@H]([NH2+]Cc1nccn1C(F)F)c1ccccc1 ZINC000063002875 362742772 /nfs/dbraw/zinc/74/27/72/362742772.db2.gz CTRRTAJJBHUKHA-LLVKDONJSA-N 1 2 267.279 2.101 10 0 CEAELO CCOC(=O)[C@](COc1cc(C)ccc1F)([NH2+]C)C1CC1 ZINC000085560107 179093955 /nfs/dbraw/zinc/09/39/55/179093955.db2.gz RGNJATJLQQGTQJ-MRXNPFEDSA-N 1 2 295.354 2.444 10 0 CEAELO CC(C)c1c[nH]c(=S)n1CCC[NH+]1CCOCC1 ZINC000085667592 179110532 /nfs/dbraw/zinc/11/05/32/179110532.db2.gz MPUHFPDUDMCZPM-UHFFFAOYSA-N 1 2 269.414 2.391 10 0 CEAELO Cc1cc(C[NH2+]Cc2nnc[nH]2)ccc1Br ZINC000085706780 179121491 /nfs/dbraw/zinc/12/14/91/179121491.db2.gz WMUJHMXLTFITLQ-UHFFFAOYSA-N 1 2 281.157 2.165 10 0 CEAELO CC(C)CN(C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000063567786 362769618 /nfs/dbraw/zinc/76/96/18/362769618.db2.gz HXEANGXWBYIKDW-HOTGVXAUSA-N 1 2 294.439 2.277 10 0 CEAELO CC(C)CN(C(=O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000063567786 362769623 /nfs/dbraw/zinc/76/96/23/362769623.db2.gz HXEANGXWBYIKDW-HOTGVXAUSA-N 1 2 294.439 2.277 10 0 CEAELO CCOC(OCC)[C@H]([NH3+])c1occc1Br ZINC000086453060 179296643 /nfs/dbraw/zinc/29/66/43/179296643.db2.gz XBIAKYQIQXCTQT-MRVPVSSYSA-N 1 2 278.146 2.441 10 0 CEAELO COCCCc1noc([C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000086963015 179369614 /nfs/dbraw/zinc/36/96/14/179369614.db2.gz JIKVSOJRUKNYLS-ZDUSSCGKSA-N 1 2 273.336 2.036 10 0 CEAELO COc1ccc([C@@H]([NH3+])c2noc(C(F)(F)F)n2)cc1F ZINC000086993998 179376204 /nfs/dbraw/zinc/37/62/04/179376204.db2.gz HIWFEFPONJJOFA-MRVPVSSYSA-N 1 2 291.204 2.284 10 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260.341 2.175 10 0 CEAELO NNc1cncc(Nc2ccc(Cl)c(F)c2)[nH+]1 ZINC000087865210 179505174 /nfs/dbraw/zinc/50/51/74/179505174.db2.gz UIRMETACNXNBBW-UHFFFAOYSA-N 1 2 253.668 2.298 10 0 CEAELO CCOC(=O)N1CCCC[C@H](c2ccc(N)[nH+]c2)C1 ZINC000616602211 348531129 /nfs/dbraw/zinc/53/11/29/348531129.db2.gz IPYBLIDSECQRAL-LBPRGKRZSA-N 1 2 263.341 2.220 10 0 CEAELO CC(=O)N1c2ccccc2NC[C@H]1c1cc[nH+]c(N)c1 ZINC000616683427 348559514 /nfs/dbraw/zinc/55/95/14/348559514.db2.gz ONAOAUKPZQALST-AWEZNQCLSA-N 1 2 268.320 2.014 10 0 CEAELO CCN1c2ccccc2NC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616683081 348559708 /nfs/dbraw/zinc/55/97/08/348559708.db2.gz OHKZRGSAGUZOIA-CQSZACIVSA-N 1 2 254.337 2.487 10 0 CEAELO CC(=O)N1CCc2ccccc2[C@@H]1c1ccc[nH+]c1N ZINC000616691665 348561959 /nfs/dbraw/zinc/56/19/59/348561959.db2.gz HXLAOSUJGHJBPS-OAHLLOKOSA-N 1 2 267.332 2.158 10 0 CEAELO NC(=O)c1cc([NH2+]CC(C2CC2)C2CC2)ccc1N ZINC000088463501 179608829 /nfs/dbraw/zinc/60/88/29/179608829.db2.gz NQKDUQYDHDJGND-UHFFFAOYSA-N 1 2 259.353 2.216 10 0 CEAELO COC(=O)c1cc(N[C@@H](C)c2cccnc2)cc[nH+]1 ZINC000090737151 180034146 /nfs/dbraw/zinc/03/41/46/180034146.db2.gz MXMFVJOVTOUKSK-JTQLQIEISA-N 1 2 257.293 2.436 10 0 CEAELO COC(=O)c1cc(NC[C@]2(O)CCC[C@H](C)C2)cc[nH+]1 ZINC000090738539 180035218 /nfs/dbraw/zinc/03/52/18/180035218.db2.gz GQZHKKWJTFTGQM-NHYWBVRUSA-N 1 2 278.352 2.221 10 0 CEAELO CCCn1c[nH+]cc1Cn1cc(Br)ccc1=O ZINC000090764599 180037230 /nfs/dbraw/zinc/03/72/30/180037230.db2.gz CEVUXRPJGBCOAS-UHFFFAOYSA-N 1 2 296.168 2.266 10 0 CEAELO COC(=O)[C@H]([NH2+]C[C@@H]1Cc2cc(C)ccc2O1)C(C)C ZINC000090897359 180056928 /nfs/dbraw/zinc/05/69/28/180056928.db2.gz YNCZUVZFLHUZAZ-DZGCQCFKSA-N 1 2 277.364 2.086 10 0 CEAELO CCOC(=O)[C@@H](NC(C)C)c1c[nH+]cn1C(C)C ZINC000091272634 180117550 /nfs/dbraw/zinc/11/75/50/180117550.db2.gz QLUNIPDQOLDGNY-LBPRGKRZSA-N 1 2 253.346 2.066 10 0 CEAELO CS(=O)(=O)c1ccccc1NCc1c[nH+]cn1C1CC1 ZINC000091275000 180118671 /nfs/dbraw/zinc/11/86/71/180118671.db2.gz LOXKSENHBVRBHN-UHFFFAOYSA-N 1 2 291.376 2.234 10 0 CEAELO Cc1nn(C)c2ncc(NCc3c[nH+]cn3C3CC3)cc12 ZINC000091275007 180118674 /nfs/dbraw/zinc/11/86/74/180118674.db2.gz HTSFNHDYBMOJQG-UHFFFAOYSA-N 1 2 282.351 2.420 10 0 CEAELO Cc1cccc2[nH+]c(-c3cncn3C3CC3)c(N)n21 ZINC000091275230 180118902 /nfs/dbraw/zinc/11/89/02/180118902.db2.gz IOMJZXYOGQQBAS-UHFFFAOYSA-N 1 2 253.309 2.423 10 0 CEAELO CC(C)([C@@H](O)c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000091565829 180193717 /nfs/dbraw/zinc/19/37/17/180193717.db2.gz DLMGTCJSYGGWJQ-ZDUSSCGKSA-N 1 2 269.772 2.484 10 0 CEAELO CC(C)([C@H](O)c1cccc(F)c1F)[NH+]1CCOCC1 ZINC000091566038 180194214 /nfs/dbraw/zinc/19/42/14/180194214.db2.gz HTDAYMOQBSYOKQ-CYBMUJFWSA-N 1 2 271.307 2.109 10 0 CEAELO CC[C@@](C)([C@H](O)c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000091611045 180205117 /nfs/dbraw/zinc/20/51/17/180205117.db2.gz ODNMDOMIHLYICZ-CABCVRRESA-N 1 2 285.334 2.499 10 0 CEAELO CC[C@](C)([C@H](O)c1cccc(F)c1F)[NH+]1CCOCC1 ZINC000091611554 180206328 /nfs/dbraw/zinc/20/63/28/180206328.db2.gz CISGWTSEMGYKCR-HUUCEWRRSA-N 1 2 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CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000152516608 188024902 /nfs/dbraw/zinc/02/49/02/188024902.db2.gz XHYFBAXGISQURH-INIZCTEOSA-N 1 2 283.375 2.335 10 0 CEAELO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000152516608 188024903 /nfs/dbraw/zinc/02/49/03/188024903.db2.gz XHYFBAXGISQURH-INIZCTEOSA-N 1 2 283.375 2.335 10 0 CEAELO CC[C@H](CC1CCCC1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000074692493 363371370 /nfs/dbraw/zinc/37/13/70/363371370.db2.gz KVLDFKDYCHLGAL-GOEBONIOSA-N 1 2 296.455 2.430 10 0 CEAELO O=C(N1CCn2cc[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000074785156 363390697 /nfs/dbraw/zinc/39/06/97/363390697.db2.gz KNXBXZONZFWJLX-UHFFFAOYSA-N 1 2 285.391 2.442 10 0 CEAELO Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000329144701 202204953 /nfs/dbraw/zinc/20/49/53/202204953.db2.gz NFKQVBAZCMWMSP-STQMWFEESA-N 1 2 287.367 2.148 10 0 CEAELO CCC[N@@H+](Cc1nnc(C)n1CC)C[C@H]1CCCCO1 ZINC000170958293 283300636 /nfs/dbraw/zinc/30/06/36/283300636.db2.gz IDJNNTYZZPVZHS-CQSZACIVSA-N 1 2 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CC[NH2+][C@@](C)(C[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224005 175331822 /nfs/dbraw/zinc/33/18/22/175331822.db2.gz AEOQCRQNURPNGZ-AWEZNQCLSA-N 1 2 256.390 2.094 10 0 CEAELO Cn1cc[nH+]c1CNc1ccc(N)cc1Br ZINC000070854138 176009231 /nfs/dbraw/zinc/00/92/31/176009231.db2.gz LREMCCKPECRISP-UHFFFAOYSA-N 1 2 281.157 2.377 10 0 CEAELO O=S(=O)(Nc1cc[nH+]cc1)c1ccc2c(c1)NCCC2 ZINC000071102977 176033580 /nfs/dbraw/zinc/03/35/80/176033580.db2.gz ZXCMWIYDBCRTBY-UHFFFAOYSA-N 1 2 289.360 2.241 10 0 CEAELO Cc1ncsc1Cn1c2ccc(N)cc2[nH+]c1[C@@H](C)O ZINC000071213583 176085266 /nfs/dbraw/zinc/08/52/66/176085266.db2.gz QODPZDXFCVNQOI-SECBINFHSA-N 1 2 288.376 2.485 10 0 CEAELO CCn1ccnc(Nc2ccc3c(c2)CCC[NH2+]3)c1=O ZINC000071214970 176086039 /nfs/dbraw/zinc/08/60/39/176086039.db2.gz MSKGBDUHJMFLPQ-UHFFFAOYSA-N 1 2 270.336 2.365 10 0 CEAELO NC(=O)c1ccnc(Nc2ccc3c(c2)CCC[NH2+]3)c1 ZINC000071215011 176086136 /nfs/dbraw/zinc/08/61/36/176086136.db2.gz CXVVHRNJIYPELF-UHFFFAOYSA-N 1 2 268.320 2.282 10 0 CEAELO 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/nfs/dbraw/zinc/37/25/45/301372545.db2.gz ZJAWLNCUXTZXNG-YPMHNXCESA-N 1 2 287.367 2.122 10 0 CEAELO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@H]2c2cnn(C)c2)n1 ZINC000248797891 301372548 /nfs/dbraw/zinc/37/25/48/301372548.db2.gz ZJAWLNCUXTZXNG-YPMHNXCESA-N 1 2 287.367 2.122 10 0 CEAELO Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)c(C)[nH+]1 ZINC000176723902 312711359 /nfs/dbraw/zinc/71/13/59/312711359.db2.gz MOCCCSKKGVURSN-DGCLKSJQSA-N 1 2 263.341 2.387 10 0 CEAELO CCC[NH2+][C@@](C)(Cn1nc(C)c(Cl)c1C)C(=O)OC ZINC000050588223 520046473 /nfs/dbraw/zinc/04/64/73/520046473.db2.gz VPAJTBANJZRWMO-ZDUSSCGKSA-N 1 2 287.791 2.085 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)N(C)CC(F)(F)F)C(=O)OCC ZINC000068627567 520136665 /nfs/dbraw/zinc/13/66/65/520136665.db2.gz LZGMDAKONYBKFU-PWSUYJOCSA-N 1 2 298.349 2.190 10 0 CEAELO CCOC(=O)CC(=O)C[N@H+](C)[C@H](C)c1cccs1 ZINC000068814267 520589108 /nfs/dbraw/zinc/58/91/08/520589108.db2.gz JMKCECQLFJXQBJ-SNVBAGLBSA-N 1 2 269.366 2.263 10 0 CEAELO CCOC(=O)CC(=O)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000068814267 520589116 /nfs/dbraw/zinc/58/91/16/520589116.db2.gz JMKCECQLFJXQBJ-SNVBAGLBSA-N 1 2 269.366 2.263 10 0 CEAELO CC(=O)c1nc2ccccc2n1C(=O)C[NH+]1CCCCC1 ZINC000054670929 518493679 /nfs/dbraw/zinc/49/36/79/518493679.db2.gz JEDNPGGIGDWJQA-UHFFFAOYSA-N 1 2 285.347 2.365 10 0 CEAELO CCC1=NN(c2ccccc2OC)C(=O)[C@H]1CCC[NH3+] ZINC000069507112 519849635 /nfs/dbraw/zinc/84/96/35/519849635.db2.gz HGOQOYYCKQAEQP-NSHDSACASA-N 1 2 275.352 2.163 10 0 CEAELO CCC[NH2+][C@@H](CCSc1ncc(C)cn1)C(=O)OCC ZINC000062602287 520006411 /nfs/dbraw/zinc/00/64/11/520006411.db2.gz CWKGYGJORPVQOJ-LBPRGKRZSA-N 1 2 297.424 2.199 10 0 CEAELO CCC[NH2+][C@@H](Cn1c(CC)nc2ccccc21)C(=O)OC ZINC000062808071 520016074 /nfs/dbraw/zinc/01/60/74/520016074.db2.gz KDFFIMHVKAWMPY-ZDUSSCGKSA-N 1 2 289.379 2.140 10 0 CEAELO CCC[NH2+][C@H](CCSc1nccc(C)n1)C(=O)OCC ZINC000062602802 520080920 /nfs/dbraw/zinc/08/09/20/520080920.db2.gz UCVLBHPYDBKJRE-GFCCVEGCSA-N 1 2 297.424 2.199 10 0 CEAELO CC[NH2+][C@@H](Cn1c(CC)nc2ccccc21)C(=O)OCC ZINC000062808067 520107666 /nfs/dbraw/zinc/10/76/66/520107666.db2.gz SFQYRDOLWWMJKC-ZDUSSCGKSA-N 1 2 289.379 2.140 10 0 CEAELO CCC[NH2+][C@](COCCC)(C(=O)OCC)C1CC1 ZINC000069198031 520124137 /nfs/dbraw/zinc/12/41/37/520124137.db2.gz PXPAGFNNBMTHHU-AWEZNQCLSA-N 1 2 257.374 2.125 10 0 CEAELO CC[NH2+][C@@](C[N@H+]1[C@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096027 520153238 /nfs/dbraw/zinc/15/32/38/520153238.db2.gz HSEMIHQQLQJBRF-TYNCELHUSA-N 1 2 268.401 2.092 10 0 CEAELO CC[NH2+][C@@](C[N@@H+]1[C@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096027 520153241 /nfs/dbraw/zinc/15/32/41/520153241.db2.gz HSEMIHQQLQJBRF-TYNCELHUSA-N 1 2 268.401 2.092 10 0 CEAELO CC[NH2+][C@@](CSCC(C)C)(C(=O)OC)C1CC1 ZINC000069184257 520159014 /nfs/dbraw/zinc/15/90/14/520159014.db2.gz WXFQDXNXROKGPF-CYBMUJFWSA-N 1 2 259.415 2.307 10 0 CEAELO CC[NH2+][C@H](CCOc1cccc(F)c1F)C(=O)OCC ZINC000062653230 520192546 /nfs/dbraw/zinc/19/25/46/520192546.db2.gz FATDCMPHLWMNMN-LLVKDONJSA-N 1 2 287.306 2.275 10 0 CEAELO CC[NH2+][C@H](CCOc1cccc(OCC)c1)C(=O)OCC ZINC000062595866 520193507 /nfs/dbraw/zinc/19/35/07/520193507.db2.gz ZUGZBBYILDKFHA-OAHLLOKOSA-N 1 2 295.379 2.395 10 0 CEAELO CCCNc1ncccc1C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000052727342 520195724 /nfs/dbraw/zinc/19/57/24/520195724.db2.gz OCKLUTWFRFFKOF-CQSZACIVSA-N 1 2 290.411 2.004 10 0 CEAELO CCCNc1ncccc1C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000052727342 520195728 /nfs/dbraw/zinc/19/57/28/520195728.db2.gz OCKLUTWFRFFKOF-CQSZACIVSA-N 1 2 290.411 2.004 10 0 CEAELO CC[NH2+][C@](C)(COc1cccc(N(C)C)c1)C(=O)OCC ZINC000045465991 520233754 /nfs/dbraw/zinc/23/37/54/520233754.db2.gz UBTWQUAFVUTAMO-MRXNPFEDSA-N 1 2 294.395 2.063 10 0 CEAELO CC[NH2+][C@](CSc1ccccn1)(C(=O)OCC)C1CC1 ZINC000069187168 520253385 /nfs/dbraw/zinc/25/33/85/520253385.db2.gz NFWTZPQOSBTTHL-HNNXBMFYSA-N 1 2 294.420 2.495 10 0 CEAELO CCNc1cc(Cn2cnc3ccccc3c2=O)cc[nH+]1 ZINC000052733164 520271750 /nfs/dbraw/zinc/27/17/50/520271750.db2.gz UPWOOOAUECPVGD-UHFFFAOYSA-N 1 2 280.331 2.272 10 0 CEAELO CCNc1[nH+]cccc1CSc1n[nH]c(=O)n1C(C)C ZINC000061608332 520377396 /nfs/dbraw/zinc/37/73/96/520377396.db2.gz SBKCEAGQFXPGSI-UHFFFAOYSA-N 1 2 293.396 2.271 10 0 CEAELO CC1(C)COCC[N@@H+]1Cc1cc2ccccc2nc1N ZINC000050817619 520504641 /nfs/dbraw/zinc/50/46/41/520504641.db2.gz IZGLVISFPSJDTL-UHFFFAOYSA-N 1 2 271.364 2.428 10 0 CEAELO CC1(C)COCC[N@H+]1Cc1cc2ccccc2nc1N ZINC000050817619 520504645 /nfs/dbraw/zinc/50/46/45/520504645.db2.gz IZGLVISFPSJDTL-UHFFFAOYSA-N 1 2 271.364 2.428 10 0 CEAELO CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000067227482 521125673 /nfs/dbraw/zinc/12/56/73/521125673.db2.gz OHBWLKLFECFXPL-UONOGXRCSA-N 1 2 298.427 2.099 10 0 CEAELO CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000067227482 521125679 /nfs/dbraw/zinc/12/56/79/521125679.db2.gz OHBWLKLFECFXPL-UONOGXRCSA-N 1 2 298.427 2.099 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@H](C)Sc1ncc(C)cn1)[NH2+]C ZINC000068640029 521150449 /nfs/dbraw/zinc/15/04/49/521150449.db2.gz CQVWOSANDFVOQC-SMDDNHRTSA-N 1 2 297.424 2.197 10 0 CEAELO CCOC(=O)[C@H](CCN(C)c1ccc(F)cc1)[NH2+]C1CC1 ZINC000062528100 521241629 /nfs/dbraw/zinc/24/16/29/521241629.db2.gz LSIYMNNAWZNYRJ-HNNXBMFYSA-N 1 2 294.370 2.336 10 0 CEAELO CCOC(=O)[C@H](CCSc1cccc(OC)c1)[NH2+]C ZINC000062598563 521250469 /nfs/dbraw/zinc/25/04/69/521250469.db2.gz RSTVQUNKLATZCE-ZDUSSCGKSA-N 1 2 283.393 2.329 10 0 CEAELO CCOC(=O)[C@](C)([NH3+])CSc1nc2ccc(C)cc2[nH]1 ZINC000061441050 521326840 /nfs/dbraw/zinc/32/68/40/521326840.db2.gz XKWMFMCMZDZBHO-CQSZACIVSA-N 1 2 293.392 2.244 10 0 CEAELO C[NH2+][C@@](C)(CSCc1cccc(C)c1)C(=O)OC ZINC000054966564 522412784 /nfs/dbraw/zinc/41/27/84/522412784.db2.gz DWWRFZXFWBMAPM-AWEZNQCLSA-N 1 2 267.394 2.379 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)Oc1cccc(N(C)C)c1)C(=O)OC ZINC000068652050 522422057 /nfs/dbraw/zinc/42/20/57/522422057.db2.gz IINNDNJTKTVETO-LRDDRELGSA-N 1 2 294.395 2.061 10 0 CEAELO C[NH2+][C@@](C[N@H+](C)C1CCCCCC1)(C(=O)[O-])C1CC1 ZINC000069100555 522423003 /nfs/dbraw/zinc/42/30/03/522423003.db2.gz RAFPREVVIGAMLB-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO C[NH2+][C@@](C[N@@H+](C)C1CCCCCC1)(C(=O)[O-])C1CC1 ZINC000069100555 522423014 /nfs/dbraw/zinc/42/30/14/522423014.db2.gz RAFPREVVIGAMLB-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CNc1nc(C[N@@H+]2CCCC[C@H]2CO)nc2sccc21 ZINC000050817077 522681664 /nfs/dbraw/zinc/68/16/64/522681664.db2.gz SJPQYNMNFSLIFH-JTQLQIEISA-N 1 2 292.408 2.080 10 0 CEAELO CNc1nc(C[N@H+]2CCCC[C@H]2CO)nc2sccc21 ZINC000050817077 522681674 /nfs/dbraw/zinc/68/16/74/522681674.db2.gz SJPQYNMNFSLIFH-JTQLQIEISA-N 1 2 292.408 2.080 10 0 CEAELO CNc1[nH+]cccc1COc1ccc(S(C)(=O)=O)cc1 ZINC000052755527 522709108 /nfs/dbraw/zinc/70/91/08/522709108.db2.gz KTUIZETUFJPJKQ-UHFFFAOYSA-N 1 2 292.360 2.106 10 0 CEAELO CCn1cc(Cn2cc[nH+]c2-c2ccc(N)cc2)cn1 ZINC000050539852 523399747 /nfs/dbraw/zinc/39/97/47/523399747.db2.gz MULPKEAFFXYZQT-UHFFFAOYSA-N 1 2 267.336 2.397 10 0 CEAELO COC(=O)[C@@](C)(C[C@H](C)n1nc(C)c(C)c1C)[NH2+]C1CC1 ZINC000068649141 523817628 /nfs/dbraw/zinc/81/76/28/523817628.db2.gz VNYFXQLAPWFJLO-MGPLVRAMSA-N 1 2 293.411 2.443 10 0 CEAELO COC(=O)[C@@](COc1ccccc1)([NH2+]C(C)C)C1CC1 ZINC000069197602 523823583 /nfs/dbraw/zinc/82/35/83/523823583.db2.gz GRBZTSPSGLGYSM-INIZCTEOSA-N 1 2 277.364 2.385 10 0 CEAELO COC(=O)[C@H](CCO[C@H](C)CC(C)C)[NH2+]C(C)C ZINC000062545060 523899660 /nfs/dbraw/zinc/89/96/60/523899660.db2.gz KBZUTWMELVWJJV-OLZOCXBDSA-N 1 2 259.390 2.367 10 0 CEAELO COCCOCCSCc1[nH+]ccn1C(C)C ZINC000184594738 524015912 /nfs/dbraw/zinc/01/59/12/524015912.db2.gz WKPDCZYAOCREGC-UHFFFAOYSA-N 1 2 258.387 2.360 10 0 CEAELO C[C@@H](C1CC1)n1[nH]c(C(C)(C)C)c(CCC[NH3+])c1=O ZINC000069507078 524325499 /nfs/dbraw/zinc/32/54/99/524325499.db2.gz BSKJJKZSHUHSHZ-JQWIXIFHSA-N 1 2 265.401 2.384 10 0 CEAELO COc1ccccc1NC(=O)Nc1cc[nH+]cc1N ZINC000062726017 524616975 /nfs/dbraw/zinc/61/69/75/524616975.db2.gz ADBBZNJTSKYTBP-UHFFFAOYSA-N 1 2 258.281 2.316 10 0 CEAELO C[C@@H](CNc1[nH+]c2c(cc1C(=O)[O-])CCCC2)[NH+](C)C ZINC000054529110 524760002 /nfs/dbraw/zinc/76/00/02/524760002.db2.gz KVXWQFAITDVDIE-JTQLQIEISA-N 1 2 277.368 2.021 10 0 CEAELO C[C@H](C(=O)c1cccc(Cl)c1)[NH+]1CCC(O)CC1 ZINC000049537522 526192723 /nfs/dbraw/zinc/19/27/23/526192723.db2.gz GSALQMJZKMLOMR-SNVBAGLBSA-N 1 2 267.756 2.368 10 0 CEAELO Cc1ccc(C(=O)[O-])c(N[C@H](C[NH+](C)C)C(C)C)[nH+]1 ZINC000054531027 526233321 /nfs/dbraw/zinc/23/33/21/526233321.db2.gz UOWFAKJZBYHVBR-GFCCVEGCSA-N 1 2 265.357 2.086 10 0 CEAELO O=C([O-])c1cc2c([nH+]c1NCC[NH+]1CCCC1)CCCC2 ZINC000054528658 526357121 /nfs/dbraw/zinc/35/71/21/526357121.db2.gz PESMCHGQAMAFOO-UHFFFAOYSA-N 1 2 289.379 2.166 10 0 CEAELO Cc1[nH+]c(-c2cc(Cl)cc(Cl)c2)c(N)n1N ZINC000052838581 526560786 /nfs/dbraw/zinc/56/07/86/526560786.db2.gz LMZOZRSTXDWNHC-UHFFFAOYSA-N 1 2 257.124 2.461 10 0 CEAELO Cc1[nH]c(CNc2cc(C(=O)N(C)C)ccc2C)c[nH+]1 ZINC000054821873 526896800 /nfs/dbraw/zinc/89/68/00/526896800.db2.gz CKZKPNOYRFCXRL-UHFFFAOYSA-N 1 2 272.352 2.340 10 0 CEAELO Cc1[nH]cc(CNc2cc(C(=O)N(C)C)ccc2C)[nH+]1 ZINC000054821873 526896805 /nfs/dbraw/zinc/89/68/05/526896805.db2.gz CKZKPNOYRFCXRL-UHFFFAOYSA-N 1 2 272.352 2.340 10 0 CEAELO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1cccc(Cl)n1 ZINC000051073612 526906066 /nfs/dbraw/zinc/90/60/66/526906066.db2.gz RCVYJUCZQLAUFM-PWSUYJOCSA-N 1 2 290.754 2.455 10 0 CEAELO O=C1CSc2ccc(NCc3c[nH+]c[nH]3)cc2N1 ZINC000054764724 527016615 /nfs/dbraw/zinc/01/66/15/527016615.db2.gz HOVOEJUDLKJBHU-UHFFFAOYSA-N 1 2 260.322 2.066 10 0 CEAELO O=C1CSc2ccc(NCc3c[nH]c[nH+]3)cc2N1 ZINC000054764724 527016622 /nfs/dbraw/zinc/01/66/22/527016622.db2.gz HOVOEJUDLKJBHU-UHFFFAOYSA-N 1 2 260.322 2.066 10 0 CEAELO Nc1ccc(NC(=O)c2nccc3ccccc32)c[nH+]1 ZINC000061680200 527494676 /nfs/dbraw/zinc/49/46/76/527494676.db2.gz BAQMODDXBSEWRG-UHFFFAOYSA-N 1 2 264.288 2.464 10 0 CEAELO OCCC[C@H]1CCCN1c1[nH+]c(CO)cc2ccccc21 ZINC000052762515 527546835 /nfs/dbraw/zinc/54/68/35/527546835.db2.gz VGYMHZUMGCDBDT-OAHLLOKOSA-N 1 2 286.375 2.468 10 0 CEAELO COC(=O)[C@@H](C)[C@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000093029495 536443220 /nfs/dbraw/zinc/44/32/20/536443220.db2.gz GTYDROKEGCXSSH-STQMWFEESA-N 1 2 292.379 2.133 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1F)C2 ZINC000220614295 538852770 /nfs/dbraw/zinc/85/27/70/538852770.db2.gz UDSQNHHPTUSQQK-NSHDSACASA-N 1 2 287.338 2.279 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1F)CC2 ZINC000220614295 538852775 /nfs/dbraw/zinc/85/27/75/538852775.db2.gz UDSQNHHPTUSQQK-NSHDSACASA-N 1 2 287.338 2.279 10 0 CEAELO CCCCCCNC(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000051994958 624726551 /nfs/dbraw/zinc/72/65/51/624726551.db2.gz XCWZRXOXSXKJNB-GJZGRUSLSA-N 1 2 282.428 2.326 10 0 CEAELO CCCCCCNC(=O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000051994958 624726556 /nfs/dbraw/zinc/72/65/56/624726556.db2.gz XCWZRXOXSXKJNB-GJZGRUSLSA-N 1 2 282.428 2.326 10 0 CEAELO CC1(C)C(=O)N(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)C1(C)C ZINC000172818227 639803244 /nfs/dbraw/zinc/80/32/44/639803244.db2.gz XPTGKOOKVAAMCH-STQMWFEESA-N 1 2 280.412 2.234 10 0 CEAELO CC1(C)C(=O)N(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)C1(C)C ZINC000172818227 639803250 /nfs/dbraw/zinc/80/32/50/639803250.db2.gz XPTGKOOKVAAMCH-STQMWFEESA-N 1 2 280.412 2.234 10 0 CEAELO CCCCC[C@H](CC)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000179770057 641380868 /nfs/dbraw/zinc/38/08/68/641380868.db2.gz HZFWZWWDFOQXKA-GJZGRUSLSA-N 1 2 284.444 2.430 10 0 CEAELO CCCCC[C@H](CC)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000179770031 641381340 /nfs/dbraw/zinc/38/13/40/641381340.db2.gz HZFWZWWDFOQXKA-CABCVRRESA-N 1 2 284.444 2.430 10 0 CEAELO CCOC[C@H]1C[N@H+](Cc2ccco2)Cc2nn(C)cc21 ZINC000096100696 185097906 /nfs/dbraw/zinc/09/79/06/185097906.db2.gz FYSPFHOFNVUEFF-GFCCVEGCSA-N 1 2 275.352 2.149 10 0 CEAELO CCOC[C@H]1C[N@@H+](Cc2ccco2)Cc2nn(C)cc21 ZINC000096100696 185097907 /nfs/dbraw/zinc/09/79/07/185097907.db2.gz FYSPFHOFNVUEFF-GFCCVEGCSA-N 1 2 275.352 2.149 10 0 CEAELO COc1cc[nH+]cc1-c1ccc(NS(C)(=O)=O)cc1C ZINC000114028645 344278746 /nfs/dbraw/zinc/27/87/46/344278746.db2.gz PHIAUOXYUSNYCH-UHFFFAOYSA-N 1 2 292.360 2.437 10 0 CEAELO CCC[C@@H]([NH2+][C@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000154856996 344436369 /nfs/dbraw/zinc/43/63/69/344436369.db2.gz RDXIGPCETUBVRV-NWDGAFQWSA-N 1 2 257.374 2.265 10 0 CEAELO CC[NH2+]Cc1nc2cccc(Br)c2[nH]1 ZINC000306983063 344719330 /nfs/dbraw/zinc/71/93/30/344719330.db2.gz SLKGHMGNLFUGFB-UHFFFAOYSA-N 1 2 254.131 2.435 10 0 CEAELO c1nc(N[C@H]2CCCOC2)cc(NCC[C@H]2CCCO2)[nH+]1 ZINC000328653483 344758187 /nfs/dbraw/zinc/75/81/87/344758187.db2.gz WWPDBLSPBYXUJS-QWHCGFSZSA-N 1 2 292.383 2.049 10 0 CEAELO c1nc(NCC[C@H]2CCCO2)cc(N[C@H]2CCCOC2)[nH+]1 ZINC000328653483 344758189 /nfs/dbraw/zinc/75/81/89/344758189.db2.gz WWPDBLSPBYXUJS-QWHCGFSZSA-N 1 2 292.383 2.049 10 0 CEAELO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000084102727 178790900 /nfs/dbraw/zinc/79/09/00/178790900.db2.gz KUEPAQKAAIQCBM-CABCVRRESA-N 1 2 261.365 2.475 10 0 CEAELO CC(C)(C)OC(=O)N1CCN(c2cc(F)cc[nH+]2)CC1 ZINC000584645705 344972690 /nfs/dbraw/zinc/97/26/90/344972690.db2.gz BRVDAGZZEASUMZ-UHFFFAOYSA-N 1 2 281.331 2.278 10 0 CEAELO CCc1nnsc1[C@@H]([NH2+]C)c1c(Cl)cnn1CC ZINC000097420524 185600781 /nfs/dbraw/zinc/60/07/81/185600781.db2.gz SJPWVMQTNKZISF-VIFPVBQESA-N 1 2 285.804 2.279 10 0 CEAELO CCC[NH2+][C@H](c1csnn1)c1c(Cl)cnn1C ZINC000097448199 185607208 /nfs/dbraw/zinc/60/72/08/185607208.db2.gz RDBVQOQAFYJVME-SECBINFHSA-N 1 2 271.777 2.014 10 0 CEAELO Cc1cc(N)c[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036243865 136544814 /nfs/dbraw/zinc/54/48/14/136544814.db2.gz ONQPIGOFZAILRN-UHFFFAOYSA-N 1 2 292.383 2.029 10 0 CEAELO Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2C[NH3+])c1 ZINC000085810684 179177723 /nfs/dbraw/zinc/17/77/23/179177723.db2.gz OCUDDMQKIWAVMK-UHFFFAOYSA-N 1 2 294.351 2.394 10 0 CEAELO CC(C)NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000066897400 362891793 /nfs/dbraw/zinc/89/17/93/362891793.db2.gz UUFFUHVWIQVINI-HNNXBMFYSA-N 1 2 290.407 2.363 10 0 CEAELO CC(C)NC(=O)C[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000066897400 362891799 /nfs/dbraw/zinc/89/17/99/362891799.db2.gz UUFFUHVWIQVINI-HNNXBMFYSA-N 1 2 290.407 2.363 10 0 CEAELO Nc1ncccc1[C@@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000616640112 348544071 /nfs/dbraw/zinc/54/40/71/348544071.db2.gz WHEJNJDQFKDSFC-HNNXBMFYSA-N 1 2 269.348 2.237 10 0 CEAELO Nc1ncccc1[C@@H]1COCC[N@H+]1Cc1ccccc1 ZINC000616640112 348544074 /nfs/dbraw/zinc/54/40/74/348544074.db2.gz WHEJNJDQFKDSFC-HNNXBMFYSA-N 1 2 269.348 2.237 10 0 CEAELO CCN(C[C@@H]1CCCO1)c1nc[nH+]c2cc(N)ccc21 ZINC000087820355 179493592 /nfs/dbraw/zinc/49/35/92/179493592.db2.gz QNHZROAAEPXDHN-LBPRGKRZSA-N 1 2 272.352 2.217 10 0 CEAELO CC(C)(C)OC(=O)N1CCCO[C@H](c2c[nH]c[nH+]2)C1 ZINC000616653421 348549297 /nfs/dbraw/zinc/54/92/97/348549297.db2.gz VXIAWXVJIJRHAK-NSHDSACASA-N 1 2 267.329 2.108 10 0 CEAELO CC(C)(C)OC(=O)N1CC[C@H](c2ccc[nH+]c2N)C1 ZINC000616609683 348533633 /nfs/dbraw/zinc/53/36/33/348533633.db2.gz DSNJQMCVINYWTG-JTQLQIEISA-N 1 2 263.341 2.388 10 0 CEAELO CCC[NH2+][C@@H](CN1CCCCc2ccccc21)C(=O)OC ZINC000088334874 179578683 /nfs/dbraw/zinc/57/86/83/179578683.db2.gz AMSFVMDJWAAQAF-HNNXBMFYSA-N 1 2 290.407 2.371 10 0 CEAELO CCc1ccc(-c2c[nH]c([C@H]3COCC[NH2+]3)n2)cc1 ZINC000088373070 179587174 /nfs/dbraw/zinc/58/71/74/179587174.db2.gz FHXGXAXDEBKBGD-CQSZACIVSA-N 1 2 257.337 2.300 10 0 CEAELO Nc1cc(Cl)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905604 180060169 /nfs/dbraw/zinc/06/01/69/180060169.db2.gz DWRKKECVCMPOLG-TXEJJXNPSA-N 1 2 252.745 2.285 10 0 CEAELO Nc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905604 180060171 /nfs/dbraw/zinc/06/01/71/180060171.db2.gz DWRKKECVCMPOLG-TXEJJXNPSA-N 1 2 252.745 2.285 10 0 CEAELO CCCn1cccc1C[NH2+][C@H](C(=O)OC)C(C)C ZINC000091023348 180088909 /nfs/dbraw/zinc/08/89/09/180088909.db2.gz PFANYACBEOPTHU-ZDUSSCGKSA-N 1 2 252.358 2.185 10 0 CEAELO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091080601 180093862 /nfs/dbraw/zinc/09/38/62/180093862.db2.gz BWUOULREBIONIT-CYBMUJFWSA-N 1 2 288.399 2.283 10 0 CEAELO CCn1c(C)nnc1C[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091080601 180093865 /nfs/dbraw/zinc/09/38/65/180093865.db2.gz BWUOULREBIONIT-CYBMUJFWSA-N 1 2 288.399 2.283 10 0 CEAELO CC[C@@H](C)N[C@@H](C(=O)OC)c1c[nH+]cn1C(C)C ZINC000091272859 180118139 /nfs/dbraw/zinc/11/81/39/180118139.db2.gz IZDXJWOMKSTDIY-ZYHUDNBSSA-N 1 2 253.346 2.066 10 0 CEAELO COc1ccc(OC)c([C@@H](O)c2c[nH+]cn2C2CC2)c1 ZINC000091277455 180119661 /nfs/dbraw/zinc/11/96/61/180119661.db2.gz DDRHCNZATPDVDS-OAHLLOKOSA-N 1 2 274.320 2.317 10 0 CEAELO O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1c[nH+]cn1C1CC1 ZINC000091277878 180121055 /nfs/dbraw/zinc/12/10/55/180121055.db2.gz VLOSKWKLZIWENZ-CYBMUJFWSA-N 1 2 263.341 2.047 10 0 CEAELO O=C([O-])[C@H]1CCCCC[N@H+]1Cc1c[nH+]cn1C1CC1 ZINC000091277878 180121056 /nfs/dbraw/zinc/12/10/56/180121056.db2.gz VLOSKWKLZIWENZ-CYBMUJFWSA-N 1 2 263.341 2.047 10 0 CEAELO CN(CC1CC(O)C1)c1ccc2cc(N)ccc2[nH+]1 ZINC000091464630 180163193 /nfs/dbraw/zinc/16/31/93/180163193.db2.gz OPJQVGKWLXDOTQ-UHFFFAOYSA-N 1 2 257.337 2.024 10 0 CEAELO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000091500682 180174556 /nfs/dbraw/zinc/17/45/56/180174556.db2.gz PIJFDHHGKAHOSG-GFCCVEGCSA-N 1 2 275.396 2.135 10 0 CEAELO CC(C)CCNC(=O)[C@@H](C)[N@H+]1Cc2ccc(N)cc2C1 ZINC000091500682 180174557 /nfs/dbraw/zinc/17/45/57/180174557.db2.gz PIJFDHHGKAHOSG-GFCCVEGCSA-N 1 2 275.396 2.135 10 0 CEAELO CC(C)(C(=O)CCc1ccsc1)[NH+]1CCOCC1 ZINC000091565479 180193283 /nfs/dbraw/zinc/19/32/83/180193283.db2.gz XZXNAWOWONPECY-UHFFFAOYSA-N 1 2 267.394 2.361 10 0 CEAELO COc1ccc(CCC(=O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000091565560 180193396 /nfs/dbraw/zinc/19/33/96/180193396.db2.gz IXZFABYYGHGDCJ-UHFFFAOYSA-N 1 2 291.391 2.308 10 0 CEAELO CC(C)(C(=O)c1cc(Cl)cnc1N)[NH+]1CCCC1 ZINC000091532735 180181327 /nfs/dbraw/zinc/18/13/27/180181327.db2.gz AXGJGWDZZZRITR-UHFFFAOYSA-N 1 2 267.760 2.374 10 0 CEAELO C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1nnc2n1CCC2 ZINC000091661000 180218435 /nfs/dbraw/zinc/21/84/35/180218435.db2.gz IPCYQNXMNTWSPX-YPMHNXCESA-N 1 2 283.379 2.348 10 0 CEAELO CC(C)c1noc(C[N@H+](C)C2CCC(=O)CC2)n1 ZINC000091853958 180273805 /nfs/dbraw/zinc/27/38/05/180273805.db2.gz BGGLBOAKAITFNU-UHFFFAOYSA-N 1 2 251.330 2.137 10 0 CEAELO CC(C)c1noc(C[N@@H+](C)C2CCC(=O)CC2)n1 ZINC000091853958 180273806 /nfs/dbraw/zinc/27/38/06/180273806.db2.gz BGGLBOAKAITFNU-UHFFFAOYSA-N 1 2 251.330 2.137 10 0 CEAELO C[N@@H+]1CCO[C@H](COc2c(Cl)cc(N)cc2Cl)C1 ZINC000092053622 180312798 /nfs/dbraw/zinc/31/27/98/180312798.db2.gz LKMDHQVCLPOEJS-VIFPVBQESA-N 1 2 291.178 2.285 10 0 CEAELO C[N@H+]1CCO[C@H](COc2c(Cl)cc(N)cc2Cl)C1 ZINC000092053622 180312799 /nfs/dbraw/zinc/31/27/99/180312799.db2.gz LKMDHQVCLPOEJS-VIFPVBQESA-N 1 2 291.178 2.285 10 0 CEAELO CC[N@@H+]1CCO[C@@H](COc2ccc(C=O)cc2Cl)C1 ZINC000092057041 180313716 /nfs/dbraw/zinc/31/37/16/180313716.db2.gz RWXGSMMMGWVWRD-GFCCVEGCSA-N 1 2 283.755 2.252 10 0 CEAELO CC[N@H+]1CCO[C@@H](COc2ccc(C=O)cc2Cl)C1 ZINC000092057041 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CCO[C@@H](C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173925078 367961304 /nfs/dbraw/zinc/96/13/04/367961304.db2.gz MHKNCEFSKRFSPG-STQMWFEESA-N 1 2 287.363 2.475 10 0 CEAELO Cc1nnc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)o1 ZINC000176486527 368244203 /nfs/dbraw/zinc/24/42/03/368244203.db2.gz KNQCGEOVVIZDLI-SECBINFHSA-N 1 2 275.308 2.000 10 0 CEAELO CCCC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000176550227 368249560 /nfs/dbraw/zinc/24/95/60/368249560.db2.gz AOGUBKDDESRSIE-CYBMUJFWSA-N 1 2 296.436 2.346 10 0 CEAELO C[C@H](NC(=O)c1cn(C)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000178251104 368294625 /nfs/dbraw/zinc/29/46/25/368294625.db2.gz AUJKXVWWQXWSKU-LBPRGKRZSA-N 1 2 295.346 2.097 10 0 CEAELO CCn1cc(C2CC[NH+](CC(=O)OCC(C)C)CC2)cn1 ZINC000181443161 368456063 /nfs/dbraw/zinc/45/60/63/368456063.db2.gz XFVDOQNFSYSIMA-UHFFFAOYSA-N 1 2 293.411 2.282 10 0 CEAELO CN(CC[N@@H+]1CCOC[C@H]1C1CC1)Cc1ccc(F)cc1 ZINC000248554357 371211237 /nfs/dbraw/zinc/21/12/37/371211237.db2.gz KAXOCFURMKKEGE-KRWDZBQOSA-N 1 2 292.398 2.368 10 0 CEAELO CN(CC[N@H+]1CCOC[C@H]1C1CC1)Cc1ccc(F)cc1 ZINC000248554357 371211243 /nfs/dbraw/zinc/21/12/43/371211243.db2.gz KAXOCFURMKKEGE-KRWDZBQOSA-N 1 2 292.398 2.368 10 0 CEAELO CC[C@@H]1CN2CCC[C@H]2C[N@@H+]1C[C@H]1CCC=CO1 ZINC000249096540 371292729 /nfs/dbraw/zinc/29/27/29/371292729.db2.gz VQAQQBBUORJTJA-QLFBSQMISA-N 1 2 250.386 2.238 10 0 CEAELO CC[C@@H]1CN2CCC[C@H]2C[N@H+]1C[C@H]1CCC=CO1 ZINC000249096540 371292734 /nfs/dbraw/zinc/29/27/34/371292734.db2.gz VQAQQBBUORJTJA-QLFBSQMISA-N 1 2 250.386 2.238 10 0 CEAELO Fc1cccc(OCc2noc([C@H]3C[C@H](F)C[NH2+]3)n2)c1 ZINC000261969967 371786252 /nfs/dbraw/zinc/78/62/52/371786252.db2.gz IDDTYOPUDUTXGO-GXSJLCMTSA-N 1 2 281.262 2.160 10 0 CEAELO Fc1cccc(Cc2noc([C@H]3C[C@H](F)C[NH2+]3)n2)c1 ZINC000262022205 371801656 /nfs/dbraw/zinc/80/16/56/371801656.db2.gz NGJZDPBSQIFQJZ-WDEREUQCSA-N 1 2 265.263 2.172 10 0 CEAELO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(F)c(F)c1 ZINC000181634998 542275172 /nfs/dbraw/zinc/27/51/72/542275172.db2.gz 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PCOKLLNUXHCDFS-UHFFFAOYSA-N 1 2 255.321 2.496 10 0 CEAELO CCC1(CC)CN(c2cccc[nH+]2)CC[S@@]1=O ZINC000302231750 394474714 /nfs/dbraw/zinc/47/47/14/394474714.db2.gz XWHLKEPNJOLHMI-KRWDZBQOSA-N 1 2 252.383 2.209 10 0 CEAELO C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@@H]1CCCC1=O ZINC000306789647 394518131 /nfs/dbraw/zinc/51/81/31/394518131.db2.gz UCWQXVFXCCHQGS-GOEBONIOSA-N 1 2 272.392 2.314 10 0 CEAELO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@@H]1CCCC1=O ZINC000306789647 394518133 /nfs/dbraw/zinc/51/81/33/394518133.db2.gz UCWQXVFXCCHQGS-GOEBONIOSA-N 1 2 272.392 2.314 10 0 CEAELO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(Br)cn1 ZINC000399203442 395241870 /nfs/dbraw/zinc/24/18/70/395241870.db2.gz OMOWTGUCGVQOAK-CABZTGNLSA-N 1 2 285.185 2.189 10 0 CEAELO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(Br)cn1 ZINC000399203442 395241873 /nfs/dbraw/zinc/24/18/73/395241873.db2.gz OMOWTGUCGVQOAK-CABZTGNLSA-N 1 2 285.185 2.189 10 0 CEAELO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000399208483 395243350 /nfs/dbraw/zinc/24/33/50/395243350.db2.gz FCKKGVBUHVOSOR-VHSXEESVSA-N 1 2 279.365 2.143 10 0 CEAELO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000399208483 395243354 /nfs/dbraw/zinc/24/33/54/395243354.db2.gz FCKKGVBUHVOSOR-VHSXEESVSA-N 1 2 279.365 2.143 10 0 CEAELO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000399306477 395245035 /nfs/dbraw/zinc/24/50/35/395245035.db2.gz PZQGDLSCJKZGED-WDEREUQCSA-N 1 2 252.358 2.317 10 0 CEAELO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000399306477 395245039 /nfs/dbraw/zinc/24/50/39/395245039.db2.gz PZQGDLSCJKZGED-WDEREUQCSA-N 1 2 252.358 2.317 10 0 CEAELO CC(C)N1CCC[C@H]([N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)C1=O ZINC000192611500 395388484 /nfs/dbraw/zinc/38/84/84/395388484.db2.gz PQVUZFRXNWLBKT-STQMWFEESA-N 1 2 298.427 2.048 10 0 CEAELO CC(C)N1CCC[C@H]([N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)C1=O ZINC000192611500 395388487 /nfs/dbraw/zinc/38/84/87/395388487.db2.gz PQVUZFRXNWLBKT-STQMWFEESA-N 1 2 298.427 2.048 10 0 CEAELO CCn1c(C)nnc1C[N@H+](C)Cc1ccc(OC)cc1 ZINC000195014616 395456277 /nfs/dbraw/zinc/45/62/77/395456277.db2.gz JKBDIAVZTOUJKX-UHFFFAOYSA-N 1 2 274.368 2.247 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000195014616 395456280 /nfs/dbraw/zinc/45/62/80/395456280.db2.gz JKBDIAVZTOUJKX-UHFFFAOYSA-N 1 2 274.368 2.247 10 0 CEAELO Cc1ccc([C@@H](O)Cc2ccc(C=O)c(C)n2)c(C)[nH+]1 ZINC000575357024 395660695 /nfs/dbraw/zinc/66/06/95/395660695.db2.gz REQZODKZUDMLRK-INIZCTEOSA-N 1 2 270.332 2.490 10 0 CEAELO O=C(N[C@@H](C1CCC1)C1CCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000648200915 395862284 /nfs/dbraw/zinc/86/22/84/395862284.db2.gz VSPWAIHNNJURSY-CHWSQXEVSA-N 1 2 286.366 2.459 10 0 CEAELO CC[NH+](CC)[C@@H](C)CNC(=O)c1c(O)cc(F)cc1F ZINC000049448184 400232618 /nfs/dbraw/zinc/23/26/18/400232618.db2.gz HBVMTWVHSNQVNN-VIFPVBQESA-N 1 2 286.322 2.131 10 0 CEAELO CC(C)c1nnc(C[NH+]2CCC([C@H]3CCCO3)CC2)n1C ZINC000189191727 153086043 /nfs/dbraw/zinc/08/60/43/153086043.db2.gz SZASPQGNBXUQJH-CQSZACIVSA-N 1 2 292.427 2.330 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@H+]1CCSc1ccccc1F ZINC000189320624 153091410 /nfs/dbraw/zinc/09/14/10/153091410.db2.gz YRMQNCUZTBQJHW-LLVKDONJSA-N 1 2 282.384 2.128 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@@H+]1CCSc1ccccc1F ZINC000189320624 153091414 /nfs/dbraw/zinc/09/14/14/153091414.db2.gz YRMQNCUZTBQJHW-LLVKDONJSA-N 1 2 282.384 2.128 10 0 CEAELO CCSCC[N@@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191711130 153183681 /nfs/dbraw/zinc/18/36/81/153183681.db2.gz JVMBRKBKAHPONI-ZDUSSCGKSA-N 1 2 269.414 2.029 10 0 CEAELO CCSCC[N@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191711130 153183685 /nfs/dbraw/zinc/18/36/85/153183685.db2.gz JVMBRKBKAHPONI-ZDUSSCGKSA-N 1 2 269.414 2.029 10 0 CEAELO CSCC[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195437957 153285153 /nfs/dbraw/zinc/28/51/53/153285153.db2.gz UMKIIMROCOIMJK-SNVBAGLBSA-N 1 2 258.412 2.188 10 0 CEAELO CSCC[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195437957 153285155 /nfs/dbraw/zinc/28/51/55/153285155.db2.gz UMKIIMROCOIMJK-SNVBAGLBSA-N 1 2 258.412 2.188 10 0 CEAELO O=C(C[N@@H+]1CCCC[C@@H]1c1nccs1)N1CCCC1 ZINC000195439304 153285693 /nfs/dbraw/zinc/28/56/93/153285693.db2.gz BAESAFQVWSYHRW-GFCCVEGCSA-N 1 2 279.409 2.293 10 0 CEAELO O=C(C[N@H+]1CCCC[C@@H]1c1nccs1)N1CCCC1 ZINC000195439304 153285698 /nfs/dbraw/zinc/28/56/98/153285698.db2.gz BAESAFQVWSYHRW-GFCCVEGCSA-N 1 2 279.409 2.293 10 0 CEAELO CCn1cc(C2CC[NH+](CC(=O)OC(C)(C)C)CC2)cn1 ZINC000195513014 153292860 /nfs/dbraw/zinc/29/28/60/153292860.db2.gz LKECLUJGDGGLLK-UHFFFAOYSA-N 1 2 293.411 2.424 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CCCC2)o1 ZINC000230643385 153393834 /nfs/dbraw/zinc/39/38/34/153393834.db2.gz YCTIEBFSJDPNMG-WDEREUQCSA-N 1 2 265.357 2.081 10 0 CEAELO CCC1(C)CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263229852 154037851 /nfs/dbraw/zinc/03/78/51/154037851.db2.gz NHEZRQSTYLCVHB-SNVBAGLBSA-N 1 2 260.328 2.022 10 0 CEAELO CCCCC[C@@H](C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000172921522 165064430 /nfs/dbraw/zinc/06/44/30/165064430.db2.gz ARHRJTDLGGXWQZ-ZIAGYGMSSA-N 1 2 270.417 2.040 10 0 CEAELO CCCCC[C@@H](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000172921522 165064435 /nfs/dbraw/zinc/06/44/35/165064435.db2.gz ARHRJTDLGGXWQZ-ZIAGYGMSSA-N 1 2 270.417 2.040 10 0 CEAELO CCc1nc([C@@H]2C[N@H+](CCC(C)(C)C)CCO2)n[nH]1 ZINC000173688903 165077141 /nfs/dbraw/zinc/07/71/41/165077141.db2.gz IBPGUUMRXULKLK-NSHDSACASA-N 1 2 266.389 2.177 10 0 CEAELO CCc1nc([C@@H]2C[N@@H+](CCC(C)(C)C)CCO2)n[nH]1 ZINC000173688903 165077144 /nfs/dbraw/zinc/07/71/44/165077144.db2.gz IBPGUUMRXULKLK-NSHDSACASA-N 1 2 266.389 2.177 10 0 CEAELO CCCCCC[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173669734 165079803 /nfs/dbraw/zinc/07/98/03/165079803.db2.gz CUESJUSLJNNASD-GFCCVEGCSA-N 1 2 252.362 2.067 10 0 CEAELO CCCCCC[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173669734 165079805 /nfs/dbraw/zinc/07/98/05/165079805.db2.gz CUESJUSLJNNASD-GFCCVEGCSA-N 1 2 252.362 2.067 10 0 CEAELO CCCCCC[N@@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173669734 165079806 /nfs/dbraw/zinc/07/98/06/165079806.db2.gz CUESJUSLJNNASD-GFCCVEGCSA-N 1 2 252.362 2.067 10 0 CEAELO CCCCCC[N@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173669734 165079809 /nfs/dbraw/zinc/07/98/09/165079809.db2.gz CUESJUSLJNNASD-GFCCVEGCSA-N 1 2 252.362 2.067 10 0 CEAELO CCCCC[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173768361 165081993 /nfs/dbraw/zinc/08/19/93/165081993.db2.gz CLCBHZXZESJEJX-LSDHHAIUSA-N 1 2 297.443 2.071 10 0 CEAELO C[C@H](NC(=O)c1csnn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173919087 165086013 /nfs/dbraw/zinc/08/60/13/165086013.db2.gz TVKNHGQDUSOVRT-JTQLQIEISA-N 1 2 299.359 2.215 10 0 CEAELO CCc1nc(C2([NH2+]CCC(=O)OC(C)C)CCCC2)no1 ZINC000174173206 165098303 /nfs/dbraw/zinc/09/83/03/165098303.db2.gz HSFUXGATDJGXNF-UHFFFAOYSA-N 1 2 295.383 2.333 10 0 CEAELO CCOC(=O)CC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000174248552 165100032 /nfs/dbraw/zinc/10/00/32/165100032.db2.gz MDDXPIVOLXTSOX-UHFFFAOYSA-N 1 2 293.367 2.259 10 0 CEAELO Cc1nnc([C@H]2C[N@H+](Cc3ccc(C)c(C)c3)CCO2)[nH]1 ZINC000180114882 165297167 /nfs/dbraw/zinc/29/71/67/165297167.db2.gz QOHKEIRWLBBULX-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(C)c(C)c3)CCO2)[nH]1 ZINC000180114882 165297170 /nfs/dbraw/zinc/29/71/70/165297170.db2.gz QOHKEIRWLBBULX-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@H]2C[N@H+](Cc3ccc(C)c(C)c3)CCO2)n[nH]1 ZINC000180114882 165297172 /nfs/dbraw/zinc/29/71/72/165297172.db2.gz QOHKEIRWLBBULX-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@H]2C[N@@H+](Cc3ccc(C)c(C)c3)CCO2)n[nH]1 ZINC000180114882 165297174 /nfs/dbraw/zinc/29/71/74/165297174.db2.gz QOHKEIRWLBBULX-OAHLLOKOSA-N 1 2 286.379 2.303 10 0 CEAELO Cc1nc([C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)n[nH]1 ZINC000180118819 165297542 /nfs/dbraw/zinc/29/75/42/165297542.db2.gz OUICQBXTFGLVMK-OAHLLOKOSA-N 1 2 297.362 2.168 10 0 CEAELO Cc1nc([C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)n[nH]1 ZINC000180118819 165297545 /nfs/dbraw/zinc/29/75/45/165297545.db2.gz OUICQBXTFGLVMK-OAHLLOKOSA-N 1 2 297.362 2.168 10 0 CEAELO Cc1ccc(C[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)s1 ZINC000180108012 165298935 /nfs/dbraw/zinc/29/89/35/165298935.db2.gz QZNDWYABOBMRDY-LBPRGKRZSA-N 1 2 278.381 2.057 10 0 CEAELO Cc1ccc(C[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)s1 ZINC000180108012 165298938 /nfs/dbraw/zinc/29/89/38/165298938.db2.gz QZNDWYABOBMRDY-LBPRGKRZSA-N 1 2 278.381 2.057 10 0 CEAELO CCOc1ccc(OCC)c(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000019488427 170813824 /nfs/dbraw/zinc/81/38/24/170813824.db2.gz SDXMNBDAEKJBFS-GFCCVEGCSA-N 1 2 296.392 2.085 10 0 CEAELO NC(=S)c1ccccc1NCCCn1cc[nH+]c1 ZINC000020506407 171228822 /nfs/dbraw/zinc/22/88/22/171228822.db2.gz KAVIGOHUXZFDLA-UHFFFAOYSA-N 1 2 260.366 2.020 10 0 CEAELO [NH3+][C@H](c1nc(-c2ccncc2)no1)c1ccccc1 ZINC000021031088 171291688 /nfs/dbraw/zinc/29/16/88/171291688.db2.gz VSDUSMBYCIBZKC-LBPRGKRZSA-N 1 2 252.277 2.180 10 0 CEAELO C[N@@H+]1CCc2nc(NC(=O)Cc3cccs3)sc2C1 ZINC000022674090 171395809 /nfs/dbraw/zinc/39/58/09/171395809.db2.gz XZIUBWVCKLWHSU-UHFFFAOYSA-N 1 2 293.417 2.374 10 0 CEAELO C[N@H+]1CCc2nc(NC(=O)Cc3cccs3)sc2C1 ZINC000022674090 171395811 /nfs/dbraw/zinc/39/58/11/171395811.db2.gz XZIUBWVCKLWHSU-UHFFFAOYSA-N 1 2 293.417 2.374 10 0 CEAELO Cc1ccc(C(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1C ZINC000035020476 171939508 /nfs/dbraw/zinc/93/95/08/171939508.db2.gz DWTNMQWXNVREPZ-CQSZACIVSA-N 1 2 260.381 2.122 10 0 CEAELO CC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)C(F)F)cc1 ZINC000035644403 172321906 /nfs/dbraw/zinc/32/19/06/172321906.db2.gz JAOICJZGODOALT-QMMMGPOBSA-N 1 2 278.324 2.321 10 0 CEAELO Cc1cccc(NS(=O)(=O)c2ccc(CC[NH3+])s2)c1 ZINC000035679125 172349718 /nfs/dbraw/zinc/34/97/18/172349718.db2.gz RKBCZGMTUOKVCL-UHFFFAOYSA-N 1 2 296.417 2.359 10 0 CEAELO COC(=O)c1ccc(CSc2ccc(N)[nH+]c2)o1 ZINC000037192131 173020737 /nfs/dbraw/zinc/02/07/37/173020737.db2.gz RMQMCELRLJYBSH-UHFFFAOYSA-N 1 2 264.306 2.336 10 0 CEAELO CC1CCN(C(=O)CSc2ccc(N)[nH+]c2)CC1 ZINC000037192400 173021211 /nfs/dbraw/zinc/02/12/11/173021211.db2.gz SLKRKJIFFSXIBR-UHFFFAOYSA-N 1 2 265.382 2.014 10 0 CEAELO Nc1cccc(Cl)c1SCC[NH+]1CCOCC1 ZINC000037204291 173026607 /nfs/dbraw/zinc/02/66/07/173026607.db2.gz KOPMPBQGPFPRRY-UHFFFAOYSA-N 1 2 272.801 2.347 10 0 CEAELO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccncc1 ZINC000037217875 173035917 /nfs/dbraw/zinc/03/59/17/173035917.db2.gz GCEPRTDMUAHQFX-JTQLQIEISA-N 1 2 260.293 2.312 10 0 CEAELO C[C@@H](C(=O)c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000037332374 173133521 /nfs/dbraw/zinc/13/35/21/173133521.db2.gz QJGJMWXAEOTXQR-VIFPVBQESA-N 1 2 272.801 2.220 10 0 CEAELO CC[C@H]1CCC[N@H+](CC(=O)c2ccc(O)cc2O)C1 ZINC000037339492 173140560 /nfs/dbraw/zinc/14/05/60/173140560.db2.gz GEESHSWMIVPAFS-NSHDSACASA-N 1 2 263.337 2.403 10 0 CEAELO CC[C@H]1CCC[N@@H+](CC(=O)c2ccc(O)cc2O)C1 ZINC000037339492 173140562 /nfs/dbraw/zinc/14/05/62/173140562.db2.gz GEESHSWMIVPAFS-NSHDSACASA-N 1 2 263.337 2.403 10 0 CEAELO CCN(c1ccccc1)c1ncnc(-n2cc[nH+]c2)c1N ZINC000040679844 174374900 /nfs/dbraw/zinc/37/49/00/174374900.db2.gz ADLWVAYHIGWHSI-UHFFFAOYSA-N 1 2 280.335 2.403 10 0 CEAELO CCNc1[nH+]cnc(Nc2ccccc2OC)c1N ZINC000040707369 174379824 /nfs/dbraw/zinc/37/98/24/174379824.db2.gz VMGBOKMDUJIAGQ-UHFFFAOYSA-N 1 2 259.313 2.243 10 0 CEAELO Nc1[nH+]cnc(Nc2ccc(Br)cc2F)c1N ZINC000040724044 174386427 /nfs/dbraw/zinc/38/64/27/174386427.db2.gz UCXLADAIOAXYFH-UHFFFAOYSA-N 1 2 298.119 2.286 10 0 CEAELO CCO[C@@H]1CCC[N@H+](CC(=O)c2ccc(OC)cc2)C1 ZINC000042423758 174723259 /nfs/dbraw/zinc/72/32/59/174723259.db2.gz RBIKGNPOXKJQQU-OAHLLOKOSA-N 1 2 277.364 2.379 10 0 CEAELO CCO[C@@H]1CCC[N@@H+](CC(=O)c2ccc(OC)cc2)C1 ZINC000042423758 174723260 /nfs/dbraw/zinc/72/32/60/174723260.db2.gz RBIKGNPOXKJQQU-OAHLLOKOSA-N 1 2 277.364 2.379 10 0 CEAELO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@@H]1CC2CCC1CC2 ZINC000653276728 414971061 /nfs/dbraw/zinc/97/10/61/414971061.db2.gz OUDRBBWWHYFYTA-JSPGJAJPSA-N 1 2 286.366 2.315 10 0 CEAELO CC1(C)C[C@@H]1Nc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000045137118 175313956 /nfs/dbraw/zinc/31/39/56/175313956.db2.gz JDTSXIMARHQEFH-NSHDSACASA-N 1 2 261.394 2.415 10 0 CEAELO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1nccs1 ZINC000045172240 175321939 /nfs/dbraw/zinc/32/19/39/175321939.db2.gz FFFQPGMDMPQRRO-QMMMGPOBSA-N 1 2 250.371 2.344 10 0 CEAELO CCOC(=O)[C@@](C)(CN(CC)c1ccccc1C)[NH2+]C ZINC000045222991 175330923 /nfs/dbraw/zinc/33/09/23/175330923.db2.gz XIFDPKJAYITQQY-MRXNPFEDSA-N 1 2 278.396 2.363 10 0 CEAELO CC[NH2+][C@](C)(C[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224006 175332317 /nfs/dbraw/zinc/33/23/17/175332317.db2.gz AEOQCRQNURPNGZ-CQSZACIVSA-N 1 2 256.390 2.094 10 0 CEAELO CC[NH2+][C@](C)(C[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224006 175332318 /nfs/dbraw/zinc/33/23/18/175332318.db2.gz AEOQCRQNURPNGZ-CQSZACIVSA-N 1 2 256.390 2.094 10 0 CEAELO CCCN(CC(F)(F)F)C[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045274376 175345056 /nfs/dbraw/zinc/34/50/56/175345056.db2.gz YQCDDYKAKJPECH-LBPRGKRZSA-N 1 2 298.349 2.190 10 0 CEAELO CCN(C[C@H]([NH2+]C)C(=O)OC)c1cccc2ccccc21 ZINC000045369590 175363717 /nfs/dbraw/zinc/36/37/17/175363717.db2.gz HHBCYQNRYNOBOL-HNNXBMFYSA-N 1 2 286.375 2.427 10 0 CEAELO CCC[NH2+][C@H](CN(C)c1ccccc1)C(=O)OCC ZINC000045376492 175366968 /nfs/dbraw/zinc/36/69/68/175366968.db2.gz IZLXGHXAZCMCSE-CQSZACIVSA-N 1 2 264.369 2.054 10 0 CEAELO CCC[NH2+][C@@H](C[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045419038 175377452 /nfs/dbraw/zinc/37/74/52/175377452.db2.gz HUPHSWYKGWEDRN-ZDUSSCGKSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@@H](C[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045419038 175377454 /nfs/dbraw/zinc/37/74/54/175377454.db2.gz HUPHSWYKGWEDRN-ZDUSSCGKSA-N 1 2 256.390 2.094 10 0 CEAELO CCOC(=O)[C@]1([NH2+]C2CCCCCC2)CCCOC1 ZINC000070465445 175945792 /nfs/dbraw/zinc/94/57/92/175945792.db2.gz SYZQTEFFQRSJOW-HNNXBMFYSA-N 1 2 269.385 2.411 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]CCOC)CCC[C@H](CC)C1 ZINC000071126195 176035703 /nfs/dbraw/zinc/03/57/03/176035703.db2.gz NWNXRWDWFOWRRE-GXTWGEPZSA-N 1 2 257.374 2.125 10 0 CEAELO C[C@H]1CCC[C@@H]1Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000071210678 176082755 /nfs/dbraw/zinc/08/27/55/176082755.db2.gz ARRMWZJGWNBXFM-IUCAKERBSA-N 1 2 278.747 2.311 10 0 CEAELO Cn1cc[nH+]c1CN1C(=S)N=NC1c1cccs1 ZINC000071274512 176106023 /nfs/dbraw/zinc/10/60/23/176106023.db2.gz ZJBJZLIFRBYZHI-UHFFFAOYSA-N 1 2 277.378 2.077 10 0 CEAELO Cc1cccc2[nH+]c(CCNC(=O)c3ccco3)cn21 ZINC000071490802 176190666 /nfs/dbraw/zinc/19/06/66/176190666.db2.gz YWBSODNQMDYYMI-UHFFFAOYSA-N 1 2 269.304 2.208 10 0 CEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H](C2CCC2)C1 ZINC000662717419 415941646 /nfs/dbraw/zinc/94/16/46/415941646.db2.gz ZNTKZZSPIRZUEG-NEPJUHHUSA-N 1 2 272.339 2.022 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000077368300 177258436 /nfs/dbraw/zinc/25/84/36/177258436.db2.gz PQSIHCICPPCESK-VXGBXAGGSA-N 1 2 296.798 2.065 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)N(C)CC1CCCCC1 ZINC000077367985 177258445 /nfs/dbraw/zinc/25/84/45/177258445.db2.gz SDISGCZPBTYWGM-ZIAGYGMSSA-N 1 2 282.428 2.134 10 0 CEAELO Cc1c2ccccc2oc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000078723300 177375683 /nfs/dbraw/zinc/37/56/83/177375683.db2.gz NGKYFILEOUJTGZ-UHFFFAOYSA-N 1 2 269.304 2.437 10 0 CEAELO Cc1c2ccccc2oc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000078723300 177375685 /nfs/dbraw/zinc/37/56/85/177375685.db2.gz NGKYFILEOUJTGZ-UHFFFAOYSA-N 1 2 269.304 2.437 10 0 CEAELO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3O)[nH]1 ZINC000392427288 270340908 /nfs/dbraw/zinc/34/09/08/270340908.db2.gz XPCQGOFYWXHFJE-PRHODGIISA-N 1 2 258.325 2.157 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccco1)C2 ZINC000112671143 278075177 /nfs/dbraw/zinc/07/51/77/278075177.db2.gz IKXIZDLXZDKWCM-UHFFFAOYSA-N 1 2 273.336 2.335 10 0 CEAELO Cn1ncc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000287195129 279404050 /nfs/dbraw/zinc/40/40/50/279404050.db2.gz WBUGTWFUEHUUTJ-CYBMUJFWSA-N 1 2 272.352 2.207 10 0 CEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC2(CC2)c2ccccc21 ZINC000263199742 280124716 /nfs/dbraw/zinc/12/47/16/280124716.db2.gz IVOHIBSMSMYXOD-LLVKDONJSA-N 1 2 278.302 2.062 10 0 CEAELO CC(C)Cc1ncc(C[N@@H+]2CCCNC(=O)[C@H]2C)s1 ZINC000189073180 280141938 /nfs/dbraw/zinc/14/19/38/280141938.db2.gz OPTFDJHNUYBHAS-LLVKDONJSA-N 1 2 281.425 2.052 10 0 CEAELO CC(C)Cc1ncc(C[N@H+]2CCCNC(=O)[C@H]2C)s1 ZINC000189073180 280141943 /nfs/dbraw/zinc/14/19/43/280141943.db2.gz OPTFDJHNUYBHAS-LLVKDONJSA-N 1 2 281.425 2.052 10 0 CEAELO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000249366890 281291820 /nfs/dbraw/zinc/29/18/20/281291820.db2.gz MOSSJMZUAXVZLZ-CABCVRRESA-N 1 2 285.334 2.499 10 0 CEAELO CC[C@](C)(O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000249366890 281291822 /nfs/dbraw/zinc/29/18/22/281291822.db2.gz MOSSJMZUAXVZLZ-CABCVRRESA-N 1 2 285.334 2.499 10 0 CEAELO CCOC(=O)c1csc(C[N@@H+]2C[C@@H]3CCC[C@H]32)n1 ZINC000432785231 281340110 /nfs/dbraw/zinc/34/01/10/281340110.db2.gz SFDGKPFSYJMZTQ-GXSJLCMTSA-N 1 2 266.366 2.304 10 0 CEAELO CCOC(=O)c1csc(C[N@H+]2C[C@@H]3CCC[C@H]32)n1 ZINC000432785231 281340117 /nfs/dbraw/zinc/34/01/17/281340117.db2.gz SFDGKPFSYJMZTQ-GXSJLCMTSA-N 1 2 266.366 2.304 10 0 CEAELO Cc1nc(N[C@H]2CCCn3ncnc32)c2c([nH+]1)CCCC2 ZINC000272894430 282012916 /nfs/dbraw/zinc/01/29/16/282012916.db2.gz OJHMTJBVEYUOGU-ZDUSSCGKSA-N 1 2 284.367 2.202 10 0 CEAELO C[C@@H](CNC(=O)C[C@@H]1CCCCC1(C)C)[NH+]1CCOCC1 ZINC000156979860 289205863 /nfs/dbraw/zinc/20/58/63/289205863.db2.gz HTUBTNKWOUXGMK-GJZGRUSLSA-N 1 2 296.455 2.430 10 0 CEAELO OC[C@H]1OC[C@@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306618483 333008402 /nfs/dbraw/zinc/00/84/02/333008402.db2.gz SOYKOCDOUIBHOG-ZWKOTPCHSA-N 1 2 283.371 2.449 10 0 CEAELO C(C[C@@H]1CCCCO1)c1nc([C@H]2CCCC[NH2+]2)no1 ZINC000069403364 518394993 /nfs/dbraw/zinc/39/49/93/518394993.db2.gz VKVDTTWTMSXUAB-NWDGAFQWSA-N 1 2 265.357 2.386 10 0 CEAELO CCC[NH2+][C@@](C[N@H+]1CCCC1(C)C)(C(=O)[O-])C1CC1 ZINC000069232876 520052011 /nfs/dbraw/zinc/05/20/11/520052011.db2.gz LQRKCJLVPUZWHM-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@@](CS[C@H](C)CC)(C(=O)OC)C1CC1 ZINC000069185177 520158227 /nfs/dbraw/zinc/15/82/27/520158227.db2.gz ZVCJRRTXVIIISC-ZWNOBZJWSA-N 1 2 259.415 2.449 10 0 CEAELO CCOc1cccc(OC[C@@H]([NH2+]C(C)C)C(=O)OC)c1 ZINC000051847550 517735975 /nfs/dbraw/zinc/73/59/75/517735975.db2.gz DRLGAQKBWGIYSP-CQSZACIVSA-N 1 2 281.352 2.004 10 0 CEAELO CCCc1[nH]n(Cc2ccc(F)cc2)c(=O)c1CC[NH3+] ZINC000069506501 519893904 /nfs/dbraw/zinc/89/39/04/519893904.db2.gz DUROYPAFXRBJOD-ZDUSSCGKSA-N 1 2 277.343 2.289 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+]1CCCC1(C)C)(C(=O)[O-])C1CC1 ZINC000069232876 520052006 /nfs/dbraw/zinc/05/20/06/520052006.db2.gz LQRKCJLVPUZWHM-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[NH2+][C@](C[NH+]1CCCCCC1)(C(=O)[O-])C1CC1 ZINC000069095131 520121530 /nfs/dbraw/zinc/12/15/30/520121530.db2.gz AGHRLJHATBLKSU-HNNXBMFYSA-N 1 2 268.401 2.095 10 0 CEAELO CC[NH2+][C@@](COc1ccc(F)cc1F)(C(=O)OC)C1CC1 ZINC000069196889 520158848 /nfs/dbraw/zinc/15/88/48/520158848.db2.gz VAZSBHXXLYPUKX-OAHLLOKOSA-N 1 2 299.317 2.275 10 0 CEAELO CCCNc1snnc1C[N@@H+]1CCC[C@@H](OCC)C1 ZINC000050818034 520204060 /nfs/dbraw/zinc/20/40/60/520204060.db2.gz BBTCCHJHUKDYKV-LLVKDONJSA-N 1 2 284.429 2.361 10 0 CEAELO CCCNc1snnc1C[N@H+]1CCC[C@@H](OCC)C1 ZINC000050818034 520204069 /nfs/dbraw/zinc/20/40/69/520204069.db2.gz BBTCCHJHUKDYKV-LLVKDONJSA-N 1 2 284.429 2.361 10 0 CEAELO CCCCCOC[C@]([NH2+]C)(C(=O)OCC)C1CC1 ZINC000069198102 520246095 /nfs/dbraw/zinc/24/60/95/520246095.db2.gz MCBACKCCBAFUKM-CQSZACIVSA-N 1 2 257.374 2.125 10 0 CEAELO CC[NH2+][C@](CO[C@H](C)CC(C)C)(C(=O)OC)C1CC1 ZINC000069196512 520251103 /nfs/dbraw/zinc/25/11/03/520251103.db2.gz UZSREJMZNXASCS-DOMZBBRYSA-N 1 2 271.401 2.369 10 0 CEAELO CCNc1[nH+]cnc2c1cnn2[C@@H]1CCCCC[C@@H]1O ZINC000062367188 520382767 /nfs/dbraw/zinc/38/27/67/520382767.db2.gz LAGSUIMYRZSOBP-NEPJUHHUSA-N 1 2 275.356 2.124 10 0 CEAELO CCCC[NH+](CCCC)C[C@]([NH2+]C)(C(=O)[O-])C1CC1 ZINC000069096554 520496603 /nfs/dbraw/zinc/49/66/03/520496603.db2.gz ZOEDXGXVUIGMGS-OAHLLOKOSA-N 1 2 270.417 2.341 10 0 CEAELO CCOC(=O)CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000070211852 520622737 /nfs/dbraw/zinc/62/27/37/520622737.db2.gz WCVAOLXIAJHFBN-UHFFFAOYSA-N 1 2 287.319 2.154 10 0 CEAELO CCOC(=O)[C@@H](CCn1nc(C)c(CC)c1C)[NH2+]C1CC1 ZINC000062536805 521061864 /nfs/dbraw/zinc/06/18/64/521061864.db2.gz FYHKCXXZSBVTFX-OAHLLOKOSA-N 1 2 293.411 2.136 10 0 CEAELO CCOC(=O)[C@H](C)NC1=[NH+][C@H](CC(C)C)CS1 ZINC000049374834 521206002 /nfs/dbraw/zinc/20/60/02/521206002.db2.gz GEDCALBWFIJIKQ-VHSXEESVSA-N 1 2 258.387 2.045 10 0 CEAELO CCOC(=O)[C@H](CCn1ncc2ccccc21)[NH2+]C1CC1 ZINC000062537954 521250897 /nfs/dbraw/zinc/25/08/97/521250897.db2.gz RICQZWFDTHPLJH-AWEZNQCLSA-N 1 2 287.363 2.110 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)Sc1nccc(C)n1)[NH2+]C ZINC000068640455 521321138 /nfs/dbraw/zinc/32/11/38/521321138.db2.gz JXHSISUXTUHTGN-RISCZKNCSA-N 1 2 297.424 2.197 10 0 CEAELO CCOC(=O)[C@](CSCC)([NH2+]C(C)C)C1CC1 ZINC000069185052 521343463 /nfs/dbraw/zinc/34/34/63/521343463.db2.gz PCZAINXGWZFIOC-CYBMUJFWSA-N 1 2 259.415 2.449 10 0 CEAELO COCCc1ccc(OCc2cc[nH+]c(N)c2)cc1 ZINC000052755364 522012561 /nfs/dbraw/zinc/01/25/61/522012561.db2.gz DSROEDDWMXIRAZ-UHFFFAOYSA-N 1 2 258.321 2.432 10 0 CEAELO CC[C@@H](C)N1CC[NH+]([C@@H]2CNc3ccccc3C2)CC1 ZINC000055067313 522128691 /nfs/dbraw/zinc/12/86/91/522128691.db2.gz XTQVVGRXUMDJHC-ZBFHGGJFSA-N 1 2 273.424 2.439 10 0 CEAELO C[NH2+][C@@H](CCSc1cccc(C)c1)C(=O)OC ZINC000062601510 522351204 /nfs/dbraw/zinc/35/12/04/522351204.db2.gz MRJOXYDFCUTVDQ-LBPRGKRZSA-N 1 2 253.367 2.238 10 0 CEAELO C[NH2+][C@H](CCO[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000062544517 522461262 /nfs/dbraw/zinc/46/12/62/522461262.db2.gz AQYWFQGZORDMMJ-HUUCEWRRSA-N 1 2 277.364 2.232 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)n1c(C)nc2ccccc21)C(=O)OC ZINC000068648757 522520074 /nfs/dbraw/zinc/52/00/74/522520074.db2.gz YIUJVQVLMNOAST-BDJLRTHQSA-N 1 2 289.379 2.447 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)Oc1cccc(OC)c1)C(=O)OC ZINC000068655608 522520227 /nfs/dbraw/zinc/52/02/27/522520227.db2.gz ZWDQELPZCHQSNU-IAQYHMDHSA-N 1 2 281.352 2.004 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)Oc1cccc(N(C)C)c1)C(=O)OC ZINC000068652058 522523772 /nfs/dbraw/zinc/52/37/72/522523772.db2.gz IINNDNJTKTVETO-BLLLJJGKSA-N 1 2 294.395 2.061 10 0 CEAELO CNc1nc2ccccc2cc1C[N@@H+]1CCO[C@H](C)C1 ZINC000050792540 522690207 /nfs/dbraw/zinc/69/02/07/522690207.db2.gz ZXPSAUQWTSVURR-GFCCVEGCSA-N 1 2 271.364 2.497 10 0 CEAELO CNc1nc2ccccc2cc1C[N@H+]1CCO[C@H](C)C1 ZINC000050792540 522690213 /nfs/dbraw/zinc/69/02/13/522690213.db2.gz ZXPSAUQWTSVURR-GFCCVEGCSA-N 1 2 271.364 2.497 10 0 CEAELO CNc1[nH+]cccc1CN1CC(=O)Nc2ccccc21 ZINC000052718222 522709850 /nfs/dbraw/zinc/70/98/50/522709850.db2.gz SHKGQDWBLNRKSH-UHFFFAOYSA-N 1 2 268.320 2.082 10 0 CEAELO CNc1[nH+]cccc1CSc1nnnn1-c1ccccc1 ZINC000052756151 522711892 /nfs/dbraw/zinc/71/18/92/522711892.db2.gz TZGOWGZKYYEIDN-UHFFFAOYSA-N 1 2 298.375 2.391 10 0 CEAELO COc1ccc(-c2[nH+]c(C(C)C)n(N)c2N)cc1C ZINC000052839848 523191232 /nfs/dbraw/zinc/19/12/32/523191232.db2.gz NNJMUKCDHJOQCU-UHFFFAOYSA-N 1 2 260.341 2.287 10 0 CEAELO C[N@H+](Cc1ccncc1)Cc1nc(N)ccc1Cl ZINC000061631320 523460990 /nfs/dbraw/zinc/46/09/90/523460990.db2.gz OURPPRSNRJFLRV-UHFFFAOYSA-N 1 2 262.744 2.344 10 0 CEAELO C[N@@H+](Cc1ccncc1)Cc1nc(N)ccc1Cl ZINC000061631320 523461002 /nfs/dbraw/zinc/46/10/02/523461002.db2.gz OURPPRSNRJFLRV-UHFFFAOYSA-N 1 2 262.744 2.344 10 0 CEAELO COC(=O)[C@@H](CCN(C)c1ccccc1)[NH2+]C(C)C ZINC000062440746 523572831 /nfs/dbraw/zinc/57/28/31/523572831.db2.gz YULWMUMWDJIHSY-CQSZACIVSA-N 1 2 264.369 2.053 10 0 CEAELO COC(=O)[C@H](CCOc1ccc(C)cc1)[NH2+]C(C)C ZINC000062543642 523900323 /nfs/dbraw/zinc/90/03/23/523900323.db2.gz UGGHQMOTWOOABH-AWEZNQCLSA-N 1 2 265.353 2.304 10 0 CEAELO COC(=O)[C@](C)(C[C@H](C)Sc1ncccn1)[NH2+]C1CC1 ZINC000068638185 524001560 /nfs/dbraw/zinc/00/15/60/524001560.db2.gz VHBZZYRWBXUCPW-HZMBPMFUSA-N 1 2 295.408 2.031 10 0 CEAELO Cc1cccc(=O)n1Cc1cc2ccccc2[nH+]c1N ZINC000050829635 524157592 /nfs/dbraw/zinc/15/75/92/524157592.db2.gz SEMCAAADYJDLOO-UHFFFAOYSA-N 1 2 265.316 2.335 10 0 CEAELO C[C@@H](C(=O)c1cccc(Cl)c1)[NH+]1CCC(O)CC1 ZINC000049537521 524306622 /nfs/dbraw/zinc/30/66/22/524306622.db2.gz GSALQMJZKMLOMR-JTQLQIEISA-N 1 2 267.756 2.368 10 0 CEAELO C[C@@H](CC[NH+](C)C)n1c(=O)c2sccc2[nH]c1=S ZINC000049559348 524481870 /nfs/dbraw/zinc/48/18/70/524481870.db2.gz JKCWURJYVXGFAL-QMMMGPOBSA-N 1 2 283.422 2.259 10 0 CEAELO C[C@H](CNc1[nH+]c2c(cc1C(=O)[O-])CCCC2)[NH+](C)C ZINC000054529112 524511969 /nfs/dbraw/zinc/51/19/69/524511969.db2.gz KVXWQFAITDVDIE-SNVBAGLBSA-N 1 2 277.368 2.021 10 0 CEAELO C[C@@H](C[C@@](C)([NH3+])C(=O)[O-])n1cc[nH+]c1-c1ccccc1 ZINC000068649077 524852200 /nfs/dbraw/zinc/85/22/00/524852200.db2.gz CAMCWAVJAKMITP-XHDPSFHLSA-N 1 2 273.336 2.303 10 0 CEAELO Cc1cc(N(C)[C@H](C)CC(N)=S)nc(C(C)C)[nH+]1 ZINC000063089362 525028633 /nfs/dbraw/zinc/02/86/33/525028633.db2.gz DNAWPMDYTSOADQ-SNVBAGLBSA-N 1 2 266.414 2.409 10 0 CEAELO Cc1ccc(S(=O)(=O)Nc2cc[nH+]cc2N)cc1C ZINC000062725966 525617072 /nfs/dbraw/zinc/61/70/72/525617072.db2.gz XOYHRRJHQLIPHN-UHFFFAOYSA-N 1 2 277.349 2.081 10 0 CEAELO COc1ccc2cc(Cn3ccccc3=O)c(N)[nH+]c2c1 ZINC000050818449 525633857 /nfs/dbraw/zinc/63/38/57/525633857.db2.gz OZYAGQOSRZJWOP-UHFFFAOYSA-N 1 2 281.315 2.036 10 0 CEAELO CSC[C@H](C)CNc1[nH+]c(C)ccc1C(N)=S ZINC000069444413 525685118 /nfs/dbraw/zinc/68/51/18/525685118.db2.gz ONZOWRAXMBTKAX-MRVPVSSYSA-N 1 2 269.439 2.435 10 0 CEAELO CSCc1noc([C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000054493955 525771908 /nfs/dbraw/zinc/77/19/08/525771908.db2.gz DMPCYTMEPIMRND-LLVKDONJSA-N 1 2 261.350 2.320 10 0 CEAELO c1cn(-c2ccccc2NCc2cnccn2)c[nH+]1 ZINC000054765839 526526926 /nfs/dbraw/zinc/52/69/26/526526926.db2.gz RRMQFRYMSSIHFU-UHFFFAOYSA-N 1 2 251.293 2.274 10 0 CEAELO Cc1[nH+]c(-c2ccc3c(c2)CCN3C)nc(N)c1C ZINC000050867513 526580060 /nfs/dbraw/zinc/58/00/60/526580060.db2.gz FPWFLODVFIKKFT-UHFFFAOYSA-N 1 2 254.337 2.335 10 0 CEAELO NC(=O)c1cc([NH2+]CCc2ccsc2)ccc1N ZINC000049189429 527032696 /nfs/dbraw/zinc/03/26/96/527032696.db2.gz WMCMBSHZHWXWFO-UHFFFAOYSA-N 1 2 261.350 2.084 10 0 CEAELO Cc1[nH+]c2ccccc2n1CC[C@H]([NH2+]C(C)C)C(=O)[O-] ZINC000062534794 527170802 /nfs/dbraw/zinc/17/08/02/527170802.db2.gz FWYYKCJYPQUBHZ-ZDUSSCGKSA-N 1 2 275.352 2.186 10 0 CEAELO Nc1c(-c2ccc(F)c(F)c2)[nH+]c(C2CC2)n1N ZINC000052839117 527423042 /nfs/dbraw/zinc/42/30/42/527423042.db2.gz AHSUWNDGRBHIFT-UHFFFAOYSA-N 1 2 250.252 2.002 10 0 CEAELO Nc1[nH+]cnc2c1cnn2-c1ccccc1Br ZINC000062366997 527574043 /nfs/dbraw/zinc/57/40/43/527574043.db2.gz BFZHDCYRUSIRBM-UHFFFAOYSA-N 1 2 290.124 2.160 10 0 CEAELO O[C@@H]1CCCC[C@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000062996355 527670964 /nfs/dbraw/zinc/67/09/64/527670964.db2.gz JLKZOMNFAHXBQS-HZPDHXFCSA-N 1 2 276.380 2.239 10 0 CEAELO CCc1nc(C[S@](=O)Cc2[nH+]ccn2CC)cs1 ZINC000083034413 536142718 /nfs/dbraw/zinc/14/27/18/536142718.db2.gz YEMOQASDNMEEHK-GOSISDBHSA-N 1 2 283.422 2.371 10 0 CEAELO O=C(c1ccc(Cl)nc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177754037 623347458 /nfs/dbraw/zinc/34/74/58/623347458.db2.gz IINWWUVDJIWCRR-GFCCVEGCSA-N 1 2 290.754 2.236 10 0 CEAELO C[C@@H]1C[NH+](Cn2cnc3cc(F)c(F)cc32)C[C@@H](C)O1 ZINC000073878558 643343882 /nfs/dbraw/zinc/34/38/82/643343882.db2.gz RIVRCBPYXDNMEX-NXEZZACHSA-N 1 2 281.306 2.381 10 0 CEAELO CCCCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)CCCC ZINC000034400066 361789000 /nfs/dbraw/zinc/78/90/00/361789000.db2.gz AUTBDHJBZFKCOO-CYBMUJFWSA-N 1 2 279.384 2.387 10 0 CEAELO CCCCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)CCCC ZINC000034400066 361789005 /nfs/dbraw/zinc/78/90/05/361789005.db2.gz AUTBDHJBZFKCOO-CYBMUJFWSA-N 1 2 279.384 2.387 10 0 CEAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2nncn2C)o1 ZINC000124807187 365660739 /nfs/dbraw/zinc/66/07/39/365660739.db2.gz MTHWAVXBTPHTRZ-LBPRGKRZSA-N 1 2 260.341 2.444 10 0 CEAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2nncn2C)o1 ZINC000124807187 365660747 /nfs/dbraw/zinc/66/07/47/365660747.db2.gz MTHWAVXBTPHTRZ-LBPRGKRZSA-N 1 2 260.341 2.444 10 0 CEAELO C1CCC(c2noc([C@@H]3CSCC[NH2+]3)n2)CC1 ZINC000096883831 185119554 /nfs/dbraw/zinc/11/95/54/185119554.db2.gz OLIISKFFIBVEIM-JTQLQIEISA-N 1 2 253.371 2.495 10 0 CEAELO Cc1noc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)n1 ZINC000037980901 361970896 /nfs/dbraw/zinc/97/08/96/361970896.db2.gz HEXWKNCHGGLYDR-SECBINFHSA-N 1 2 275.308 2.000 10 0 CEAELO CCOC(OCC)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000043504048 362146314 /nfs/dbraw/zinc/14/63/14/362146314.db2.gz CVEPCNNAFQBDDR-UHFFFAOYSA-N 1 2 274.320 2.454 10 0 CEAELO CCc1nnc([C@@H]2C[N@H+](Cc3sccc3C)CCO2)[nH]1 ZINC000129098175 529701157 /nfs/dbraw/zinc/70/11/57/529701157.db2.gz JXYHULDOISVFLM-NSHDSACASA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3sccc3C)CCO2)[nH]1 ZINC000129098175 529701159 /nfs/dbraw/zinc/70/11/59/529701159.db2.gz JXYHULDOISVFLM-NSHDSACASA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nc([C@@H]2C[N@H+](Cc3sccc3C)CCO2)n[nH]1 ZINC000129098175 529701161 /nfs/dbraw/zinc/70/11/61/529701161.db2.gz JXYHULDOISVFLM-NSHDSACASA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nc([C@@H]2C[N@@H+](Cc3sccc3C)CCO2)n[nH]1 ZINC000129098175 529701163 /nfs/dbraw/zinc/70/11/63/529701163.db2.gz JXYHULDOISVFLM-NSHDSACASA-N 1 2 292.408 2.311 10 0 CEAELO c1ccc2c(c1)N=C(NNC1=[NH+]c3ccccc3OC1)CO2 ZINC000003218422 343352447 /nfs/dbraw/zinc/35/24/47/343352447.db2.gz UYSFGAQAPHSDAW-UHFFFAOYSA-N 1 2 294.314 2.326 10 0 CEAELO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000029402522 343399987 /nfs/dbraw/zinc/39/99/87/343399987.db2.gz OOAXGBONCNGXAB-STQMWFEESA-N 1 2 285.347 2.122 10 0 CEAELO Nc1ccc(/C=C/C(=O)OCc2ccccc2)c[nH+]1 ZINC000038285055 343434088 /nfs/dbraw/zinc/43/40/88/343434088.db2.gz RPGACVPVPGPLHQ-VQHVLOKHSA-N 1 2 254.289 2.420 10 0 CEAELO CC[N@@H+]1CCO[C@@H](CNc2nc3ccccc3s2)C1 ZINC000134431934 344374125 /nfs/dbraw/zinc/37/41/25/344374125.db2.gz QSZCTWCYCLLCEM-NSHDSACASA-N 1 2 277.393 2.429 10 0 CEAELO CC[N@H+]1CCO[C@@H](CNc2nc3ccccc3s2)C1 ZINC000134431934 344374128 /nfs/dbraw/zinc/37/41/28/344374128.db2.gz QSZCTWCYCLLCEM-NSHDSACASA-N 1 2 277.393 2.429 10 0 CEAELO BrC(Br)=Cc1[nH]cc[nH+]1 ZINC000141072594 344400206 /nfs/dbraw/zinc/40/02/06/344400206.db2.gz DBGAQTBNRFUXME-UHFFFAOYSA-N 1 2 251.909 2.498 10 0 CEAELO Cc1c(N)c[nH+]c(N2CCCC2)c1Br ZINC000166999586 344477813 /nfs/dbraw/zinc/47/78/13/344477813.db2.gz RFGWDMWNPCXVQK-UHFFFAOYSA-N 1 2 256.147 2.335 10 0 CEAELO CC[NH+]1CC(Nc2nc(Br)cs2)C1 ZINC000306959281 344718916 /nfs/dbraw/zinc/71/89/16/344718916.db2.gz XINRWADPLKWVQG-UHFFFAOYSA-N 1 2 262.176 2.022 10 0 CEAELO CC[C@@H]1CCN(c2cc(N[C@@H]3CCCOC3)[nH+]cn2)C1 ZINC000328624841 344756547 /nfs/dbraw/zinc/75/65/47/344756547.db2.gz CQSMPWCTCKPROX-CHWSQXEVSA-N 1 2 276.384 2.304 10 0 CEAELO CC[C@@H]1CCN(c2cc(N[C@@H]3CCCOC3)nc[nH+]2)C1 ZINC000328624841 344756549 /nfs/dbraw/zinc/75/65/49/344756549.db2.gz CQSMPWCTCKPROX-CHWSQXEVSA-N 1 2 276.384 2.304 10 0 CEAELO Cc1[nH+]cc(COC(=O)c2cccnc2)c(C)c1O ZINC000584633892 344970544 /nfs/dbraw/zinc/97/05/44/344970544.db2.gz IBDAHRRFLOCPFO-UHFFFAOYSA-N 1 2 258.277 2.156 10 0 CEAELO COCCCS[C@@H](C)C[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000084355346 178866444 /nfs/dbraw/zinc/86/64/44/178866444.db2.gz YEMOLQKQIWYADI-SMDDNHRTSA-N 1 2 289.441 2.218 10 0 CEAELO O=[S@@]1CCC[NH2+][C@H](c2ccc(F)cc2Cl)C1 ZINC000085315457 179013860 /nfs/dbraw/zinc/01/38/60/179013860.db2.gz DOPUFZFUSBJHSB-ZBEGNZNMSA-N 1 2 261.749 2.262 10 0 CEAELO CCCc1nc(C[NH+](C)C)nc(NC)c1Br ZINC000085801282 179173898 /nfs/dbraw/zinc/17/38/98/179173898.db2.gz PEWXQLRVGCLCFE-UHFFFAOYSA-N 1 2 287.205 2.295 10 0 CEAELO CCOC(=O)c1ncc(C[N@@H+]2C[C@H]3CCC[C@@H]32)s1 ZINC000602793338 347201060 /nfs/dbraw/zinc/20/10/60/347201060.db2.gz QJJXAESBOZMPPR-KOLCDFICSA-N 1 2 266.366 2.304 10 0 CEAELO CCOC(=O)c1ncc(C[N@H+]2C[C@H]3CCC[C@@H]32)s1 ZINC000602793338 347201065 /nfs/dbraw/zinc/20/10/65/347201065.db2.gz QJJXAESBOZMPPR-KOLCDFICSA-N 1 2 266.366 2.304 10 0 CEAELO Nc1cc(CC(=O)c2ccc(Cl)cc2N)cc[nH+]1 ZINC000086112054 179233448 /nfs/dbraw/zinc/23/34/48/179233448.db2.gz ZLZJHLUFAAGQAW-UHFFFAOYSA-N 1 2 261.712 2.325 10 0 CEAELO COc1ccc2[nH+]c(N3CCC[C@@H](NC(C)=O)C3)ccc2c1 ZINC000178375178 542249334 /nfs/dbraw/zinc/24/93/34/542249334.db2.gz ORLRJIKNXYGJDT-CQSZACIVSA-N 1 2 299.374 2.348 10 0 CEAELO COc1ccc([C@@H](O)c2ccc[nH+]c2N)cc1Cl ZINC000086596065 179310807 /nfs/dbraw/zinc/31/08/07/179310807.db2.gz BFELQLKJUHUZAT-GFCCVEGCSA-N 1 2 264.712 2.408 10 0 CEAELO Clc1ncc(CN2CCn3cc[nH+]c3C2)s1 ZINC000086776848 179329290 /nfs/dbraw/zinc/32/92/90/179329290.db2.gz XTYZIZCOEILUHR-UHFFFAOYSA-N 1 2 254.746 2.009 10 0 CEAELO Cn1ccnc1[C@@H]([NH3+])c1ncc(Cl)cc1Cl ZINC000086783711 179331927 /nfs/dbraw/zinc/33/19/27/179331927.db2.gz YBHWXHIPGOKCFT-QMMMGPOBSA-N 1 2 257.124 2.170 10 0 CEAELO Cc1c[nH+]c(N)c(C(=O)[C@H]2CSCCS2)c1 ZINC000086982423 179374144 /nfs/dbraw/zinc/37/41/44/179374144.db2.gz MMDZDBNIDIUDEC-SECBINFHSA-N 1 2 254.380 2.004 10 0 CEAELO c1ccc2c(c1)C[NH2+][C@H](c1nc([C@@H]3CCCO3)no1)C2 ZINC000087801027 179487551 /nfs/dbraw/zinc/48/75/51/179487551.db2.gz FWOBESRIQKLGSH-STQMWFEESA-N 1 2 271.320 2.308 10 0 CEAELO CC(C)[C@H](C)N(C)c1nc(N)[nH+]cc1Br ZINC000087813289 179490315 /nfs/dbraw/zinc/49/03/15/179490315.db2.gz QDMDWSFDZPTOEG-ZETCQYMHSA-N 1 2 273.178 2.302 10 0 CEAELO CC(C)C1CCC(c2noc([C@H]([NH3+])[C@H](C)O)n2)CC1 ZINC000087958771 179528968 /nfs/dbraw/zinc/52/89/68/179528968.db2.gz OCKVJTMXDCEYRO-WNYYMSAVSA-N 1 2 267.373 2.380 10 0 CEAELO NC(=O)N1c2ccccc2CC[C@H]1c1cc[nH+]c(N)c1 ZINC000616668044 348555276 /nfs/dbraw/zinc/55/52/76/348555276.db2.gz FZZCMLLGXYBZOB-ZDUSSCGKSA-N 1 2 268.320 2.067 10 0 CEAELO CC(=O)N1C[C@H](Nc2cccc[nH+]2)Cc2ccccc21 ZINC000616671877 348555971 /nfs/dbraw/zinc/55/59/71/348555971.db2.gz DYTLFSAVSDYXBL-CQSZACIVSA-N 1 2 267.332 2.471 10 0 CEAELO COC(=O)N1C[C@H](c2cc[nH+]c(N)c2)Cc2ccccc21 ZINC000616670732 348556220 /nfs/dbraw/zinc/55/62/20/348556220.db2.gz NYGPMQVHSHQPCC-CYBMUJFWSA-N 1 2 283.331 2.407 10 0 CEAELO NC(=O)N1CC[C@H](c2ccc[nH+]c2N)c2ccccc21 ZINC000616675131 348557299 /nfs/dbraw/zinc/55/72/99/348557299.db2.gz IWIKREAOOQUSTO-JTQLQIEISA-N 1 2 268.320 2.085 10 0 CEAELO COC(=O)N1CCc2ccccc2[C@@H]1c1ccc[nH+]c1N ZINC000616677486 348557493 /nfs/dbraw/zinc/55/74/93/348557493.db2.gz ORQYMCTXGUZZOC-CQSZACIVSA-N 1 2 283.331 2.378 10 0 CEAELO CC(C)n1ncnc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000088591463 539678388 /nfs/dbraw/zinc/67/83/88/539678388.db2.gz RNVXHFWXNWZXRU-ZDUSSCGKSA-N 1 2 272.352 2.472 10 0 CEAELO C[C@@H]1CC[NH2+][C@H](C23CC4CC(CC(C4)C2)C3)CS1(=O)=O ZINC000090353993 179973616 /nfs/dbraw/zinc/97/36/16/179973616.db2.gz CWSXSPISYCZUFJ-OMBAJQCTSA-N 1 2 297.464 2.368 10 0 CEAELO CCC[NH2+][C@H](CCO[C@H](C)C(F)(F)F)C(=O)OCC ZINC000090674267 180021675 /nfs/dbraw/zinc/02/16/75/180021675.db2.gz VVCWBVACXFLGFH-NXEZZACHSA-N 1 2 285.306 2.275 10 0 CEAELO CCOC(=O)[C@@](C)(CCO[C@@H](C)C(F)(F)F)[NH2+]C1CC1 ZINC000090674132 180021842 /nfs/dbraw/zinc/02/18/42/180021842.db2.gz ZLSCDILJWUGPFW-JOYOIKCWSA-N 1 2 297.317 2.418 10 0 CEAELO CCC[NH2+][C@H](CCO[C@@H](C)C(F)(F)F)C(=O)OCC ZINC000090674265 180021910 /nfs/dbraw/zinc/02/19/10/180021910.db2.gz VVCWBVACXFLGFH-VHSXEESVSA-N 1 2 285.306 2.275 10 0 CEAELO COC(=O)c1cc(N[C@@]2(CO)CCC[C@H](C)C2)cc[nH+]1 ZINC000090738048 180033954 /nfs/dbraw/zinc/03/39/54/180033954.db2.gz IVORMUWKAHQWRV-NHYWBVRUSA-N 1 2 278.352 2.221 10 0 CEAELO COC(=O)c1cc(N[C@@H]2COc3ccccc32)cc[nH+]1 ZINC000090738298 180034072 /nfs/dbraw/zinc/03/40/72/180034072.db2.gz CJFJOJDSXIOAJQ-CYBMUJFWSA-N 1 2 270.288 2.414 10 0 CEAELO COC(=O)c1nccc(Nc2ccc3c(c2)CCC[NH2+]3)n1 ZINC000090739065 180035136 /nfs/dbraw/zinc/03/51/36/180035136.db2.gz MMTDZMZGWRZRRI-UHFFFAOYSA-N 1 2 284.319 2.365 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1NCc1sccc1N ZINC000090959457 180075346 /nfs/dbraw/zinc/07/53/46/180075346.db2.gz OVFFRVBFPJUVFP-UHFFFAOYSA-N 1 2 278.381 2.412 10 0 CEAELO C[C@@H](CCO)SCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000091262544 180116549 /nfs/dbraw/zinc/11/65/49/180116549.db2.gz RFRBUYDGBPLYPX-QMMMGPOBSA-N 1 2 251.355 2.149 10 0 CEAELO COc1ccccc1N[C@@H](C(N)=O)c1c[nH+]cn1C(C)C ZINC000091272592 180117778 /nfs/dbraw/zinc/11/77/78/180117778.db2.gz NJZZTWOXFYDIRI-CQSZACIVSA-N 1 2 288.351 2.111 10 0 CEAELO CCOC(=O)[C@@H](NCC(C)C)c1c[nH+]cn1C(C)C ZINC000091272783 180117877 /nfs/dbraw/zinc/11/78/77/180117877.db2.gz SSGJRBKRTJEWLF-ZDUSSCGKSA-N 1 2 267.373 2.314 10 0 CEAELO CC(C)n1c[nH+]cc1[C@@H]([NH2+]C1CCCC1)C(=O)[O-] ZINC000091272806 180118099 /nfs/dbraw/zinc/11/80/99/180118099.db2.gz QXKQKWRDUPEHEB-GFCCVEGCSA-N 1 2 251.330 2.122 10 0 CEAELO OCC1C[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000091488390 180168450 /nfs/dbraw/zinc/16/84/50/180168450.db2.gz XEMOKHTVBRJSEM-UHFFFAOYSA-N 1 2 278.739 2.419 10 0 CEAELO Nc1ccc2c(c1)C[N@@H+](CC(=O)NC1CCCCCC1)C2 ZINC000091501404 180174842 /nfs/dbraw/zinc/17/48/42/180174842.db2.gz DXMKXFWFWUAEMK-UHFFFAOYSA-N 1 2 287.407 2.423 10 0 CEAELO Nc1ccc2c(c1)C[N@H+](CC(=O)NC1CCCCCC1)C2 ZINC000091501404 180174843 /nfs/dbraw/zinc/17/48/43/180174843.db2.gz DXMKXFWFWUAEMK-UHFFFAOYSA-N 1 2 287.407 2.423 10 0 CEAELO CC[C@](C)([C@@H](O)c1c(F)cccc1F)[NH+]1CCOCC1 ZINC000091611224 180206364 /nfs/dbraw/zinc/20/63/64/180206364.db2.gz DGXVMOZVTQEDJS-LSDHHAIUSA-N 1 2 285.334 2.499 10 0 CEAELO CC[C@@](C)([C@@H](O)Cc1ccncc1Cl)[NH+]1CCOCC1 ZINC000091611107 180206619 /nfs/dbraw/zinc/20/66/19/180206619.db2.gz APCLWSJGBVQWPB-GJZGRUSLSA-N 1 2 298.814 2.139 10 0 CEAELO C[NH+](C)Cc1noc(-c2ccc(N)cc2Cl)n1 ZINC000091685278 180226648 /nfs/dbraw/zinc/22/66/48/180226648.db2.gz CWKZHYINYZPXPE-UHFFFAOYSA-N 1 2 252.705 2.034 10 0 CEAELO CC[C@H]([NH3+])c1ccn(Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000091816181 180262249 /nfs/dbraw/zinc/26/22/49/180262249.db2.gz UJMXNJQCHRFGCO-JTQLQIEISA-N 1 2 288.376 2.244 10 0 CEAELO [NH3+]Cc1ccc(S(=O)(=O)Nc2ccccc2)c(F)c1 ZINC000092115766 180327659 /nfs/dbraw/zinc/32/76/59/180327659.db2.gz URFHNDFQCFAXCM-UHFFFAOYSA-N 1 2 280.324 2.085 10 0 CEAELO C[C@@H]([NH2+][C@H]1C=CS(=O)(=O)C1)c1ccccc1Cl ZINC000105879267 186082109 /nfs/dbraw/zinc/08/21/09/186082109.db2.gz TVXYZHOAULAVDN-ZJUUUORDSA-N 1 2 271.769 2.301 10 0 CEAELO C[C@H]([NH2+][C@H]1C=CS(=O)(=O)C1)c1nc2ccccc2s1 ZINC000105959780 186094892 /nfs/dbraw/zinc/09/48/92/186094892.db2.gz 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/nfs/dbraw/zinc/25/40/29/542254029.db2.gz PSKMGPPKZKMLLJ-KGLIPLIRSA-N 1 2 282.428 2.040 10 0 CEAELO Cn1ncc([C@@H]2[NH2+]CCc3ccoc32)c1Br ZINC000712428123 538746001 /nfs/dbraw/zinc/74/60/01/538746001.db2.gz VDXFSJVFXGIPOR-VIFPVBQESA-N 1 2 282.141 2.011 10 0 CEAELO Cn1cc([C@H]2CCN(c3[nH]c4ccccc4[nH+]3)C2)cn1 ZINC000134988848 366383115 /nfs/dbraw/zinc/38/31/15/366383115.db2.gz UKZYHRLBYVDNRU-NSHDSACASA-N 1 2 267.336 2.290 10 0 CEAELO O=C(C[C@@H]1CCCCNC1=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329401782 202318992 /nfs/dbraw/zinc/31/89/92/202318992.db2.gz YHHUSASDXVMNMK-NWDGAFQWSA-N 1 2 290.367 2.220 10 0 CEAELO C[C@H](NC(=O)NC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634846 363675739 /nfs/dbraw/zinc/67/57/39/363675739.db2.gz YZGOQPHTQKNABX-NSHDSACASA-N 1 2 270.336 2.395 10 0 CEAELO Cc1ccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c(C)[nH+]1 ZINC000176774896 189008702 /nfs/dbraw/zinc/00/87/02/189008702.db2.gz KFZKAYXFWQNEFZ-ZDUSSCGKSA-N 1 2 299.378 2.453 10 0 CEAELO CCC(CC)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 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/nfs/dbraw/zinc/13/99/45/371139945.db2.gz ORGGYBSKGCSVIL-SJLPKXTDSA-N 1 2 297.402 2.091 10 0 CEAELO CC(C)CN(C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21)C1CC1 ZINC000249740167 371358312 /nfs/dbraw/zinc/35/83/12/371358312.db2.gz HXEANGXWBYIKDW-CVEARBPZSA-N 1 2 294.439 2.277 10 0 CEAELO CC(C)CN(C(=O)C[N@H+]1CCO[C@H]2CCCC[C@H]21)C1CC1 ZINC000249740167 371358317 /nfs/dbraw/zinc/35/83/17/371358317.db2.gz HXEANGXWBYIKDW-CVEARBPZSA-N 1 2 294.439 2.277 10 0 CEAELO Cn1cc([C@@]2(C)CN(c3[nH]c4ccccc4[nH+]3)CCO2)cn1 ZINC000270587238 372854319 /nfs/dbraw/zinc/85/43/19/372854319.db2.gz RPEZATHMVTYDHX-MRXNPFEDSA-N 1 2 297.362 2.048 10 0 CEAELO CCc1cc(N[C@@H](C)Cc2cc(C)[nH]n2)nc(C)[nH+]1 ZINC000272918729 373711578 /nfs/dbraw/zinc/71/15/78/373711578.db2.gz SUCBDVDBEVVELE-VIFPVBQESA-N 1 2 259.357 2.422 10 0 CEAELO CCc1cc(N[C@@H](C)Cc2cc(C)n[nH]2)nc(C)[nH+]1 ZINC000272918729 373711588 /nfs/dbraw/zinc/71/15/88/373711588.db2.gz SUCBDVDBEVVELE-VIFPVBQESA-N 1 2 259.357 2.422 10 0 CEAELO COc1c(C[NH2+]Cc2ccc(C)c(C)n2)c(C)nn1C ZINC000314112369 376764285 /nfs/dbraw/zinc/76/42/85/376764285.db2.gz GEKDLPSOQDRTJV-UHFFFAOYSA-N 1 2 274.368 2.039 10 0 CEAELO C[C@@H]1CC[C@H](Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000302553661 379396383 /nfs/dbraw/zinc/39/63/83/379396383.db2.gz RAEBHGUYHFWEQY-AGIUHOORSA-N 1 2 276.384 2.038 10 0 CEAELO C[C@@H]1CC[C@H](Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000302553661 379396393 /nfs/dbraw/zinc/39/63/93/379396393.db2.gz RAEBHGUYHFWEQY-AGIUHOORSA-N 1 2 276.384 2.038 10 0 CEAELO CCc1ccc([C@@H](C)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC000186746929 542311578 /nfs/dbraw/zinc/31/15/78/542311578.db2.gz RTBPIWQVAXOETM-GFCCVEGCSA-N 1 2 271.364 2.402 10 0 CEAELO Cc1cc2c(n1CC[NH+]1CCOCC1)CC(C)(C)CC2=O ZINC000041686615 184553053 /nfs/dbraw/zinc/55/30/53/184553053.db2.gz ITLMEPOVUZLECW-UHFFFAOYSA-N 1 2 290.407 2.284 10 0 CEAELO Cc1noc(C[NH2+]Cc2cccc(Br)c2)n1 ZINC000038034567 256778032 /nfs/dbraw/zinc/77/80/32/256778032.db2.gz GSTUTWYFMUBWDK-UHFFFAOYSA-N 1 2 282.141 2.430 10 0 CEAELO Cc1cc(F)ccc1CC[NH2+]c1ccc(N)c(C(N)=O)c1 ZINC000094963788 184907252 /nfs/dbraw/zinc/90/72/52/184907252.db2.gz CEVHNZFTXGHPNR-UHFFFAOYSA-N 1 2 287.338 2.470 10 0 CEAELO C[C@@H]1CN(c2nc[nH+]c3cc(N)ccc32)CC(C)(C)O1 ZINC000087820957 135051454 /nfs/dbraw/zinc/05/14/54/135051454.db2.gz OTMREAGSRQMVSN-SNVBAGLBSA-N 1 2 272.352 2.216 10 0 CEAELO CCC(CC)CN(CC)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000079252126 394631113 /nfs/dbraw/zinc/63/11/13/394631113.db2.gz PSFQNUKRKDXTOB-CQSZACIVSA-N 1 2 299.459 2.175 10 0 CEAELO CC(=O)N[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000132980247 394941443 /nfs/dbraw/zinc/94/14/43/394941443.db2.gz FJSPCBZMMOUCKE-LBPRGKRZSA-N 1 2 291.326 2.067 10 0 CEAELO CC(=O)N[C@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000132980247 394941445 /nfs/dbraw/zinc/94/14/45/394941445.db2.gz FJSPCBZMMOUCKE-LBPRGKRZSA-N 1 2 291.326 2.067 10 0 CEAELO CC(C)n1cc[nH+]c1CNc1ccccc1S(C)(=O)=O ZINC000417001320 395103169 /nfs/dbraw/zinc/10/31/69/395103169.db2.gz SYJWRBLAVHSMEY-UHFFFAOYSA-N 1 2 293.392 2.480 10 0 CEAELO Cc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccn1 ZINC000180609458 395205111 /nfs/dbraw/zinc/20/51/11/395205111.db2.gz JQFZTKTWFCQYLZ-CQSZACIVSA-N 1 2 285.351 2.283 10 0 CEAELO CCc1nnc(C[N@H+](CC)Cc2cccs2)n1C ZINC000195031169 395456923 /nfs/dbraw/zinc/45/69/23/395456923.db2.gz DHEYOHMSIMOTLY-UHFFFAOYSA-N 1 2 264.398 2.461 10 0 CEAELO CCc1nnc(C[N@@H+](CC)Cc2cccs2)n1C ZINC000195031169 395456928 /nfs/dbraw/zinc/45/69/28/395456928.db2.gz DHEYOHMSIMOTLY-UHFFFAOYSA-N 1 2 264.398 2.461 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000154574970 289149787 /nfs/dbraw/zinc/14/97/87/289149787.db2.gz ONPMYYYLSZRATH-QWHCGFSZSA-N 1 2 298.427 2.097 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000154574970 289149789 /nfs/dbraw/zinc/14/97/89/289149789.db2.gz ONPMYYYLSZRATH-QWHCGFSZSA-N 1 2 298.427 2.097 10 0 CEAELO CCc1nnc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)n1C ZINC000190954471 153150207 /nfs/dbraw/zinc/15/02/07/153150207.db2.gz NAHBTZCLQOTEOC-UHFFFAOYSA-N 1 2 292.427 2.301 10 0 CEAELO CCc1nnc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)n1C ZINC000190954471 153150209 /nfs/dbraw/zinc/15/02/09/153150209.db2.gz NAHBTZCLQOTEOC-UHFFFAOYSA-N 1 2 292.427 2.301 10 0 CEAELO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000230643456 153395851 /nfs/dbraw/zinc/39/58/51/153395851.db2.gz KEBQOEACKQOJLO-NWDGAFQWSA-N 1 2 267.373 2.329 10 0 CEAELO O=C(Nc1cc(C2CCCCC2)[nH]n1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263204713 154035522 /nfs/dbraw/zinc/03/55/22/154035522.db2.gz JOCJQBKCIFASEW-NSHDSACASA-N 1 2 298.337 2.393 10 0 CEAELO Cn1ncc2c1nc[nH+]c2N1CCC[C@H]1c1ccco1 ZINC000172015700 162395937 /nfs/dbraw/zinc/39/59/37/162395937.db2.gz IJZBXAMLQKNTSN-NSHDSACASA-N 1 2 269.308 2.298 10 0 CEAELO F[C@@H]1C[NH2+][C@@H](c2nc(Cc3cccs3)no2)C1 ZINC000261623942 162549913 /nfs/dbraw/zinc/54/99/13/162549913.db2.gz BXWCHEGUAXKHLI-IONNQARKSA-N 1 2 253.302 2.094 10 0 CEAELO CCC(CC)N(CC(C)C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000178662071 165253607 /nfs/dbraw/zinc/25/36/07/165253607.db2.gz NAHQTUSBSLBHST-HNNXBMFYSA-N 1 2 299.459 2.173 10 0 CEAELO CCC(CC)N(CC(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000178662071 165253610 /nfs/dbraw/zinc/25/36/10/165253610.db2.gz NAHQTUSBSLBHST-HNNXBMFYSA-N 1 2 299.459 2.173 10 0 CEAELO CCc1ccc(O)c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000179746586 165287735 /nfs/dbraw/zinc/28/77/35/165287735.db2.gz ABVWPUILERMLDJ-CQSZACIVSA-N 1 2 299.374 2.456 10 0 CEAELO CCC[C@H](C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1)[NH+](C)C ZINC000181876360 165361297 /nfs/dbraw/zinc/36/12/97/165361297.db2.gz DBQWYUBTXWOQCI-SNVBAGLBSA-N 1 2 291.355 2.042 10 0 CEAELO CCC[C@H](C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1)[NH+](C)C ZINC000181876360 165361298 /nfs/dbraw/zinc/36/12/98/165361298.db2.gz DBQWYUBTXWOQCI-SNVBAGLBSA-N 1 2 291.355 2.042 10 0 CEAELO [NH3+][C@H](c1nc(-c2ccc(O)cc2)no1)c1ccccc1 ZINC000021817168 171333042 /nfs/dbraw/zinc/33/30/42/171333042.db2.gz COANZTUTQIMVNM-ZDUSSCGKSA-N 1 2 267.288 2.490 10 0 CEAELO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)N(C)C ZINC000035139019 172007074 /nfs/dbraw/zinc/00/70/74/172007074.db2.gz KSDHCGQJWGKLPR-WFASDCNBSA-N 1 2 272.348 2.435 10 0 CEAELO CC[NH+]1CCN(c2n[nH]c(=S)n2-c2ccccc2)CC1 ZINC000035222099 172065399 /nfs/dbraw/zinc/06/53/99/172065399.db2.gz NROJRVAUQHESPA-UHFFFAOYSA-N 1 2 289.408 2.072 10 0 CEAELO CC(=O)[C@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)C(C)C ZINC000035230338 172071023 /nfs/dbraw/zinc/07/10/23/172071023.db2.gz ICICSNWBQGCBPM-MRXNPFEDSA-N 1 2 287.363 2.075 10 0 CEAELO CC[NH2+][C@@H](C)c1cccc(NS(=O)(=O)C(F)F)c1 ZINC000035644714 172322223 /nfs/dbraw/zinc/32/22/23/172322223.db2.gz DBGUKMOWCOCEGO-QMMMGPOBSA-N 1 2 278.324 2.321 10 0 CEAELO C[C@H](Nc1cc(C(N)=S)cc[nH+]1)c1cccnc1 ZINC000035692342 172361588 /nfs/dbraw/zinc/36/15/88/172361588.db2.gz QEJQMYHANSPPLI-VIFPVBQESA-N 1 2 258.350 2.284 10 0 CEAELO COc1ccccc1NC(=O)CSc1ccc(N)[nH+]c1 ZINC000037192691 173021802 /nfs/dbraw/zinc/02/18/02/173021802.db2.gz QDXJWLOGONFNRG-UHFFFAOYSA-N 1 2 289.360 2.403 10 0 CEAELO COC1CC[NH+](CC(=O)c2ccc(F)c(F)c2)CC1 ZINC000037337273 173138403 /nfs/dbraw/zinc/13/84/03/173138403.db2.gz ZBSWTMARUFTFJS-UHFFFAOYSA-N 1 2 269.291 2.258 10 0 CEAELO O=C([O-])[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2cccs2)CC1 ZINC000038042706 174046116 /nfs/dbraw/zinc/04/61/16/174046116.db2.gz RUGPNXLUQBSBIU-CQSZACIVSA-N 1 2 294.420 2.262 10 0 CEAELO O=C([O-])[C@H]1CCC[N@H+]1C1CC[NH+](Cc2cccs2)CC1 ZINC000038042706 174046117 /nfs/dbraw/zinc/04/61/17/174046117.db2.gz RUGPNXLUQBSBIU-CQSZACIVSA-N 1 2 294.420 2.262 10 0 CEAELO COc1ccc(Cl)cc1Nc1nc[nH+]c(N)c1N ZINC000040702265 174378813 /nfs/dbraw/zinc/37/88/13/174378813.db2.gz WCWGSGJVDLHPPY-UHFFFAOYSA-N 1 2 265.704 2.047 10 0 CEAELO Cc1ccc2cccc(Nc3nc[nH+]c(N)c3N)c2n1 ZINC000040723840 174386155 /nfs/dbraw/zinc/38/61/55/174386155.db2.gz PUMHOWBJQFKFEA-UHFFFAOYSA-N 1 2 266.308 2.241 10 0 CEAELO Cn1cc[nH+]c1CCn1c(=O)c2ccccc2[nH]c1=S ZINC000045136156 175313494 /nfs/dbraw/zinc/31/34/94/175313494.db2.gz HDLPDNZWAZPCSJ-UHFFFAOYSA-N 1 2 286.360 2.035 10 0 CEAELO COC(=O)[C@@]([NH3+])(CN(C)c1ccccc1)c1ccccc1 ZINC000045227498 175333327 /nfs/dbraw/zinc/33/33/27/175333327.db2.gz WFPJTGVQVXKQPH-QGZVFWFLSA-N 1 2 284.359 2.150 10 0 CEAELO CCCN(CC[C@](C)([NH2+]C)C(=O)OCC)CC(F)(F)F ZINC000045274433 175345109 /nfs/dbraw/zinc/34/51/09/175345109.db2.gz ALXZZTUWJYNGPW-LBPRGKRZSA-N 1 2 298.349 2.192 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279924 175350511 /nfs/dbraw/zinc/35/05/11/175350511.db2.gz RLRPBYUCDFUOAO-GXTWGEPZSA-N 1 2 258.406 2.196 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279924 175350512 /nfs/dbraw/zinc/35/05/12/175350512.db2.gz RLRPBYUCDFUOAO-GXTWGEPZSA-N 1 2 258.406 2.196 10 0 CEAELO CCN(C[C@@H]([NH2+]C(C)C)C(=O)OC)c1cccc(F)c1 ZINC000045421302 175379995 /nfs/dbraw/zinc/37/99/95/175379995.db2.gz GTRMRWQMVMJHPI-CQSZACIVSA-N 1 2 282.359 2.192 10 0 CEAELO C[C@H](Nc1cccnc1-n1cccn1)c1[nH+]ccn1C ZINC000070444710 175937101 /nfs/dbraw/zinc/93/71/01/175937101.db2.gz MXEFAXJCLSIUCQ-NSHDSACASA-N 1 2 268.324 2.174 10 0 CEAELO O=S(=O)(CCOc1ccc(F)cc1)Nc1cc[nH+]cc1 ZINC000070879052 176009665 /nfs/dbraw/zinc/00/96/65/176009665.db2.gz XBLZQBPGFAJCRP-UHFFFAOYSA-N 1 2 296.323 2.041 10 0 CEAELO CCC(=O)NCc1cn2cc(C(F)(F)F)ccc2[nH+]1 ZINC000071446493 176175486 /nfs/dbraw/zinc/17/54/86/176175486.db2.gz PELZLWZGXKEVLE-UHFFFAOYSA-N 1 2 271.242 2.379 10 0 CEAELO COc1ccc(Cl)cc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000078723452 177375792 /nfs/dbraw/zinc/37/57/92/177375792.db2.gz KWNPDQYCMNFZKO-UHFFFAOYSA-N 1 2 279.727 2.044 10 0 CEAELO COc1ccc(Cl)cc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000078723452 177375793 /nfs/dbraw/zinc/37/57/93/177375793.db2.gz KWNPDQYCMNFZKO-UHFFFAOYSA-N 1 2 279.727 2.044 10 0 CEAELO CCCCN(CCCC)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000079252514 279687509 /nfs/dbraw/zinc/68/75/09/279687509.db2.gz KEGKMYXTSUDMPY-OAHLLOKOSA-N 1 2 299.459 2.319 10 0 CEAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCO[C@H]1CCCCO1 ZINC000248842234 280367705 /nfs/dbraw/zinc/36/77/05/280367705.db2.gz RERFAQVBPZCSHF-STQMWFEESA-N 1 2 287.400 2.192 10 0 CEAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000248842234 280367707 /nfs/dbraw/zinc/36/77/07/280367707.db2.gz RERFAQVBPZCSHF-STQMWFEESA-N 1 2 287.400 2.192 10 0 CEAELO Cn1nccc1CN1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000275711114 303066542 /nfs/dbraw/zinc/06/65/42/303066542.db2.gz YFQZGQPUDFFMHY-MRXNPFEDSA-N 1 2 299.422 2.370 10 0 CEAELO Cn1nccc1C[N@@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000275711114 303066545 /nfs/dbraw/zinc/06/65/45/303066545.db2.gz YFQZGQPUDFFMHY-MRXNPFEDSA-N 1 2 299.422 2.370 10 0 CEAELO Cn1nccc1C[N@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000275711114 303066547 /nfs/dbraw/zinc/06/65/47/303066547.db2.gz YFQZGQPUDFFMHY-MRXNPFEDSA-N 1 2 299.422 2.370 10 0 CEAELO CC(=O)Nc1ccc(F)c(NCc2[nH]c[nH+]c2C)c1 ZINC000054794669 519720703 /nfs/dbraw/zinc/72/07/03/519720703.db2.gz NGUVSQAQHFJXSL-UHFFFAOYSA-N 1 2 262.288 2.428 10 0 CEAELO CCC[NH2+][C@H](CCN(CC)CC(F)(F)F)C(=O)OCC ZINC000062455065 520071310 /nfs/dbraw/zinc/07/13/10/520071310.db2.gz VUXBMTSGYQPWMW-LLVKDONJSA-N 1 2 298.349 2.192 10 0 CEAELO CCC[NH2+][C@H](COc1cccc(F)c1F)C(=O)OCC ZINC000062653855 520084361 /nfs/dbraw/zinc/08/43/61/520084361.db2.gz BBEXHEGKZSAJQG-LLVKDONJSA-N 1 2 287.306 2.275 10 0 CEAELO CCCNc1snnc1C[N@H+](CCOC)CC(C)C ZINC000050815103 520201641 /nfs/dbraw/zinc/20/16/41/520201641.db2.gz JQWUBCZVPGROPY-UHFFFAOYSA-N 1 2 286.445 2.464 10 0 CEAELO CCCNc1snnc1C[N@@H+](CCOC)CC(C)C ZINC000050815103 520201646 /nfs/dbraw/zinc/20/16/46/520201646.db2.gz JQWUBCZVPGROPY-UHFFFAOYSA-N 1 2 286.445 2.464 10 0 CEAELO CCOC(=O)[C@@H](CCSc1ccccn1)[NH2+]C(C)C ZINC000062599306 521062561 /nfs/dbraw/zinc/06/25/61/521062561.db2.gz UYRGOSSRMMHMAV-GFCCVEGCSA-N 1 2 282.409 2.494 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@@H](C)n1ccc(C)n1)[NH2+]C1CC1 ZINC000068650543 521149373 /nfs/dbraw/zinc/14/93/73/521149373.db2.gz FXEHQNMQXJIOEZ-IUODEOHRSA-N 1 2 279.384 2.216 10 0 CEAELO CCOC(=O)[C@H](CCOc1cc(C)cc(C)c1)[NH2+]C ZINC000062549587 521248184 /nfs/dbraw/zinc/24/81/84/521248184.db2.gz LMNVTTLDTQXAIM-AWEZNQCLSA-N 1 2 265.353 2.223 10 0 CEAELO CCOC(=O)[C@H](CCN(CC)c1cccc(F)c1)[NH2+]C ZINC000062457459 521242748 /nfs/dbraw/zinc/24/27/48/521242748.db2.gz BTGSDPNLOARJAK-AWEZNQCLSA-N 1 2 282.359 2.193 10 0 CEAELO CCC(CC)C[N@@H+](CC)C[C@@]([NH2+]C)(C(=O)[O-])C1CC1 ZINC000069132128 521520890 /nfs/dbraw/zinc/52/08/90/521520890.db2.gz APSRCJGYXIRBQJ-HNNXBMFYSA-N 1 2 270.417 2.197 10 0 CEAELO C[NH2+][C@](C)(CSCc1ccccc1C)C(=O)OC ZINC000054964871 522517460 /nfs/dbraw/zinc/51/74/60/522517460.db2.gz HSEQCRLVFVDMPW-CQSZACIVSA-N 1 2 267.394 2.379 10 0 CEAELO CC(C)(C)c1[nH+]c(-c2c(F)cccc2F)c(N)n1N ZINC000052839656 519090240 /nfs/dbraw/zinc/09/02/40/519090240.db2.gz GMWFFSYQWAHHCG-UHFFFAOYSA-N 1 2 266.295 2.422 10 0 CEAELO CC(C)CN(c1nc(Cl)nc(-n2cc[nH+]c2)n1)C1CC1 ZINC000061540071 519718997 /nfs/dbraw/zinc/71/89/97/519718997.db2.gz RPZAWQDNFPKZLV-UHFFFAOYSA-N 1 2 292.774 2.336 10 0 CEAELO CC(C)C[C@@H](C[NH+](C)C)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000049560410 519776187 /nfs/dbraw/zinc/77/61/87/519776187.db2.gz PPTCADIHXRUQPO-LBPRGKRZSA-N 1 2 265.357 2.168 10 0 CEAELO CCC[NH2+][C@@H](CCOc1cccc(OCC)c1)C(=O)OC ZINC000062595856 520003544 /nfs/dbraw/zinc/00/35/44/520003544.db2.gz UWVVYIOIUANCLD-HNNXBMFYSA-N 1 2 295.379 2.395 10 0 CEAELO CCC[NH2+][C@@H](CCn1c[nH+]c2cc(C)c(C)cc21)C(=O)[O-] ZINC000062534567 520006731 /nfs/dbraw/zinc/00/67/31/520006731.db2.gz UDCHLSCJUXTHNG-ZDUSSCGKSA-N 1 2 289.379 2.496 10 0 CEAELO CCC[NH2+][C@H](Cn1c(CC)nc2ccccc21)C(=O)OC ZINC000062808072 520088561 /nfs/dbraw/zinc/08/85/61/520088561.db2.gz KDFFIMHVKAWMPY-CYBMUJFWSA-N 1 2 289.379 2.140 10 0 CEAELO CC[NH2+][C@@H](CCn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062807949 520096712 /nfs/dbraw/zinc/09/67/12/520096712.db2.gz RDHKEHAECJDHCV-LBPRGKRZSA-N 1 2 275.352 2.052 10 0 CEAELO CC[NH2+][C@@H](c1ccc2c(c1)OCCCO2)c1ncccn1 ZINC000055224893 520111182 /nfs/dbraw/zinc/11/11/82/520111182.db2.gz GMPOFVPIZUQSQR-HNNXBMFYSA-N 1 2 285.347 2.337 10 0 CEAELO CCC[NH2+][C@](C[N@@H+]1CCCC1(C)C)(C(=O)[O-])C1CC1 ZINC000069232874 520121397 /nfs/dbraw/zinc/12/13/97/520121397.db2.gz LQRKCJLVPUZWHM-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[NH2+][C@](C[N@H+]1CCCC1(C)C)(C(=O)[O-])C1CC1 ZINC000069232874 520121399 /nfs/dbraw/zinc/12/13/99/520121399.db2.gz LQRKCJLVPUZWHM-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@H](CCOc1ccc(C)c(C)c1)C(=O)OC ZINC000062549396 520191553 /nfs/dbraw/zinc/19/15/53/520191553.db2.gz JMDIQGWHEGOXOU-CQSZACIVSA-N 1 2 265.353 2.223 10 0 CEAELO CC[NH2+][C@H](CCOc1ccc(OCC)cc1)C(=O)OC ZINC000062547620 520193278 /nfs/dbraw/zinc/19/32/78/520193278.db2.gz YMOUAJKXHHTAKZ-CQSZACIVSA-N 1 2 281.352 2.005 10 0 CEAELO CC[NH2+][C@](C)(Cn1nc(C)c(Cl)c1C)C(=O)OCC ZINC000050588218 520242131 /nfs/dbraw/zinc/24/21/31/520242131.db2.gz UAIPEBXKSKECFC-CYBMUJFWSA-N 1 2 287.791 2.085 10 0 CEAELO CC[NH2+][C@](Cn1nc(C)c(Cl)c1C)(C(=O)OC)C1CC1 ZINC000069193687 520254079 /nfs/dbraw/zinc/25/40/79/520254079.db2.gz XBISEINEABLBDY-AWEZNQCLSA-N 1 2 299.802 2.085 10 0 CEAELO CCNc1ccc(Cl)c(C[N@@H+](CC(N)=O)CC(C)C)n1 ZINC000061638414 520309699 /nfs/dbraw/zinc/30/96/99/520309699.db2.gz CLHPVCKHKVZUSH-UHFFFAOYSA-N 1 2 298.818 2.110 10 0 CEAELO CCNc1ccc(Cl)c(C[N@H+](CC(N)=O)CC(C)C)n1 ZINC000061638414 520309705 /nfs/dbraw/zinc/30/97/05/520309705.db2.gz CLHPVCKHKVZUSH-UHFFFAOYSA-N 1 2 298.818 2.110 10 0 CEAELO CCC[C@@H](C)[N@H+](C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069100223 520646702 /nfs/dbraw/zinc/64/67/02/520646702.db2.gz MCQMIICIHCNRFV-IUODEOHRSA-N 1 2 270.417 2.338 10 0 CEAELO CCC[C@@H](C)[N@@H+](C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069100223 520646708 /nfs/dbraw/zinc/64/67/08/520646708.db2.gz MCQMIICIHCNRFV-IUODEOHRSA-N 1 2 270.417 2.338 10 0 CEAELO CC1CCC([N@H+](C)C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069146428 520934935 /nfs/dbraw/zinc/93/49/35/520934935.db2.gz GJCWSXXFWWSJDW-MWHAMWOXSA-N 1 2 294.439 2.482 10 0 CEAELO CC1CCC([N@@H+](C)C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069146428 520934941 /nfs/dbraw/zinc/93/49/41/520934941.db2.gz GJCWSXXFWWSJDW-MWHAMWOXSA-N 1 2 294.439 2.482 10 0 CEAELO CCC[C@H](C)N(C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061537922 521038801 /nfs/dbraw/zinc/03/88/01/521038801.db2.gz DIPCWPYDXULBCY-VIFPVBQESA-N 1 2 280.763 2.336 10 0 CEAELO CCOC(=O)[C@@H](CCn1cc(-c2ccccc2)cn1)[NH2+]C ZINC000062538858 521062609 /nfs/dbraw/zinc/06/26/09/521062609.db2.gz OXKPREROTPSQHX-OAHLLOKOSA-N 1 2 287.363 2.091 10 0 CEAELO CCOC(=O)[C@@](C)(CCn1nc(C)c(Cl)c1C)[NH2+]C ZINC000050588390 521148467 /nfs/dbraw/zinc/14/84/67/521148467.db2.gz DZXVANDVWGGWIC-CYBMUJFWSA-N 1 2 287.791 2.085 10 0 CEAELO CCOC(=O)[C@@](CO[C@@H](C)CC(C)C)([NH2+]C)C1CC1 ZINC000069196531 521169902 /nfs/dbraw/zinc/16/99/02/521169902.db2.gz VBSCERQLXRRZND-WFASDCNBSA-N 1 2 271.401 2.369 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]CCOC)C[C@H](C)CC(C)(C)C1 ZINC000053257162 521183879 /nfs/dbraw/zinc/18/38/79/521183879.db2.gz XAKODSCJHPLJST-IUODEOHRSA-N 1 2 271.401 2.371 10 0 CEAELO CCOC(=O)[C@H](CCOc1cccc(C)c1C)[NH2+]C ZINC000062548366 521246760 /nfs/dbraw/zinc/24/67/60/521246760.db2.gz BHIOJMMHXXEZGU-ZDUSSCGKSA-N 1 2 265.353 2.223 10 0 CEAELO CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](C)C(=O)[O-] ZINC000061218926 521295381 /nfs/dbraw/zinc/29/53/81/521295381.db2.gz PGULKYRPJHJQRT-ZDUSSCGKSA-N 1 2 287.363 2.415 10 0 CEAELO CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](C)C(=O)[O-] ZINC000061218926 521295388 /nfs/dbraw/zinc/29/53/88/521295388.db2.gz PGULKYRPJHJQRT-ZDUSSCGKSA-N 1 2 287.363 2.415 10 0 CEAELO CCC(CC)C[N@H+](CC)C[C@@]([NH2+]C)(C(=O)[O-])C1CC1 ZINC000069132128 521520885 /nfs/dbraw/zinc/52/08/85/521520885.db2.gz APSRCJGYXIRBQJ-HNNXBMFYSA-N 1 2 270.417 2.197 10 0 CEAELO CCOc1ccccc1OCC[C@H]([NH2+]C1CC1)C(=O)OC ZINC000062548151 521565914 /nfs/dbraw/zinc/56/59/14/521565914.db2.gz VXZXRALRATUIME-ZDUSSCGKSA-N 1 2 293.363 2.148 10 0 CEAELO COC(=O)c1cc(NCc2c[nH+]c(C)[nH]2)ccc1F ZINC000054821930 521893724 /nfs/dbraw/zinc/89/37/24/521893724.db2.gz DADHHYXHXXMNJT-UHFFFAOYSA-N 1 2 263.272 2.256 10 0 CEAELO COC(=O)c1cc(NCc2c[nH]c(C)[nH+]2)ccc1F ZINC000054821930 521893737 /nfs/dbraw/zinc/89/37/37/521893737.db2.gz DADHHYXHXXMNJT-UHFFFAOYSA-N 1 2 263.272 2.256 10 0 CEAELO COC(=O)c1ccc(C)c(NCc2c[nH+]c(C)[nH]2)c1 ZINC000054821732 521988976 /nfs/dbraw/zinc/98/89/76/521988976.db2.gz WBXQQHZBWSVHRW-UHFFFAOYSA-N 1 2 259.309 2.425 10 0 CEAELO COC(=O)c1ccc(C)c(NCc2c[nH]c(C)[nH+]2)c1 ZINC000054821732 521988979 /nfs/dbraw/zinc/98/89/79/521988979.db2.gz WBXQQHZBWSVHRW-UHFFFAOYSA-N 1 2 259.309 2.425 10 0 CEAELO C[NH2+][C@@H](c1nnc(C2CCOCC2)o1)c1ccccc1 ZINC000061673871 522374644 /nfs/dbraw/zinc/37/46/44/522374644.db2.gz OGWSJURUTBMSMP-CYBMUJFWSA-N 1 2 273.336 2.272 10 0 CEAELO C[NH2+][C@@](C)(CSCc1ccccc1C)C(=O)OC ZINC000054964870 522414089 /nfs/dbraw/zinc/41/40/89/522414089.db2.gz HSEQCRLVFVDMPW-AWEZNQCLSA-N 1 2 267.394 2.379 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)Oc1ccc(F)cc1F)C(=O)OC ZINC000068654844 522419385 /nfs/dbraw/zinc/41/93/85/522419385.db2.gz KZIVUKCNJCIFFI-XPTSAGLGSA-N 1 2 287.306 2.273 10 0 CEAELO CCc1[nH+]c2ccccc2n1C[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000062808014 522503864 /nfs/dbraw/zinc/50/38/64/522503864.db2.gz UFANPARBARSFAR-MRXNPFEDSA-N 1 2 289.379 2.440 10 0 CEAELO C[NH2+][C@](COCC1CCCCC1)(C(=O)OC)C1CC1 ZINC000069198466 522526777 /nfs/dbraw/zinc/52/67/77/522526777.db2.gz FMFNYVLBISQYFO-HNNXBMFYSA-N 1 2 269.385 2.125 10 0 CEAELO C[NH2+][C@](CSc1ccccc1F)(C(=O)OC)C1CC1 ZINC000069186296 522531501 /nfs/dbraw/zinc/53/15/01/522531501.db2.gz FBBRIWJYIBBENO-AWEZNQCLSA-N 1 2 283.368 2.459 10 0 CEAELO C[N@@H+]1CCCC[C@H]1CNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054530539 523801030 /nfs/dbraw/zinc/80/10/30/523801030.db2.gz HNGTXEHAWQEECV-LBPRGKRZSA-N 1 2 289.379 2.165 10 0 CEAELO C[N@H+]1CCCC[C@H]1CNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054530539 523801035 /nfs/dbraw/zinc/80/10/35/523801035.db2.gz HNGTXEHAWQEECV-LBPRGKRZSA-N 1 2 289.379 2.165 10 0 CEAELO CCc1ccc(N(C)CC[C@H]([NH2+]C2CC2)C(=O)OC)cc1 ZINC000062528711 523958430 /nfs/dbraw/zinc/95/84/30/523958430.db2.gz ZEAQBBJBVMYOMQ-INIZCTEOSA-N 1 2 290.407 2.369 10 0 CEAELO COC(=O)[C@](C)(C[C@@H](C)OC[C@@H]1CCCCO1)[NH2+]C1CC1 ZINC000068654080 524000581 /nfs/dbraw/zinc/00/05/81/524000581.db2.gz WRZCKYGMPHPYGS-INWMFGNUSA-N 1 2 299.411 2.034 10 0 CEAELO COC(=O)[C@](C)(C[C@H](C)Sc1ncccn1)[NH2+]C(C)C ZINC000068638220 524001687 /nfs/dbraw/zinc/00/16/87/524001687.db2.gz WSHJKQMUZKYLHN-FZMZJTMJSA-N 1 2 297.424 2.277 10 0 CEAELO Cc1cccc(Cn2[nH]c(C(C)C)c(CC[NH3+])c2=O)c1 ZINC000069506442 524409490 /nfs/dbraw/zinc/40/94/90/524409490.db2.gz JXLYVXGLEPNBLA-AWEZNQCLSA-N 1 2 273.380 2.314 10 0 CEAELO COc1ncnc(OC)c1C[NH2+][C@@H](C)c1ccsc1 ZINC000061361233 525085315 /nfs/dbraw/zinc/08/53/15/525085315.db2.gz JXZHSVDHMXSUCF-VIFPVBQESA-N 1 2 279.365 2.406 10 0 CEAELO CSCCC[NH2+][C@@H](c1ccco1)c1nccn1C ZINC000069432828 525481160 /nfs/dbraw/zinc/48/11/60/525481160.db2.gz CPYVGOMANJUXCS-LBPRGKRZSA-N 1 2 265.382 2.445 10 0 CEAELO C[C@@H](O)c1[nH+]c2cc(N)ccc2n1[C@@H](C)[C@@H]1CCCO1 ZINC000053736375 525883244 /nfs/dbraw/zinc/88/32/44/525883244.db2.gz BUDMZGSFFKAOOD-RBZYPMLTSA-N 1 2 275.352 2.412 10 0 CEAELO Cc1ccc(C(=O)C[NH+]2CCC(CO)CC2)cc1C ZINC000050131864 526047114 /nfs/dbraw/zinc/04/71/14/526047114.db2.gz RKESUUGGJSPNNO-UHFFFAOYSA-N 1 2 261.365 2.190 10 0 CEAELO Cc1cc(-c2nnco2)ccc1NCc1c[nH+]c[nH]1 ZINC000054764840 526059555 /nfs/dbraw/zinc/05/95/55/526059555.db2.gz YBGOKPYLNYIGAJ-UHFFFAOYSA-N 1 2 255.281 2.380 10 0 CEAELO Cc1cc(-c2nnco2)ccc1NCc1c[nH]c[nH+]1 ZINC000054764840 526059563 /nfs/dbraw/zinc/05/95/63/526059563.db2.gz YBGOKPYLNYIGAJ-UHFFFAOYSA-N 1 2 255.281 2.380 10 0 CEAELO c1cn(-c2cccc(NCc3ccncn3)c2)c[nH+]1 ZINC000054789036 526525419 /nfs/dbraw/zinc/52/54/19/526525419.db2.gz XYXIZRYXZPRGMK-UHFFFAOYSA-N 1 2 251.293 2.274 10 0 CEAELO NC(=S)c1cc(C[N@@H+]2CCOc3ccccc3C2)ccn1 ZINC000068752983 527114247 /nfs/dbraw/zinc/11/42/47/527114247.db2.gz KPEUGDUVBXODMF-UHFFFAOYSA-N 1 2 299.399 2.110 10 0 CEAELO NC(=S)c1cc(C[N@H+]2CCOc3ccccc3C2)ccn1 ZINC000068752983 527114251 /nfs/dbraw/zinc/11/42/51/527114251.db2.gz KPEUGDUVBXODMF-UHFFFAOYSA-N 1 2 299.399 2.110 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccccc1-c1nncn1C ZINC000054795344 527216080 /nfs/dbraw/zinc/21/60/80/527216080.db2.gz KSKZWWBJMAMFDM-UHFFFAOYSA-N 1 2 268.324 2.126 10 0 CEAELO [NH3+][C@@H](c1nnc(-c2cscn2)o1)c1ccccc1 ZINC000062362081 527340295 /nfs/dbraw/zinc/34/02/95/527340295.db2.gz ZYUWDINSGGOKGC-SNVBAGLBSA-N 1 2 258.306 2.241 10 0 CEAELO Nc1c(-c2cccc3cccnc32)[nH+]c(C2CC2)n1N ZINC000069501655 527422836 /nfs/dbraw/zinc/42/28/36/527422836.db2.gz MVYNBASSMXJSNC-UHFFFAOYSA-N 1 2 265.320 2.272 10 0 CEAELO Nc1c(-c2c(F)cccc2F)[nH+]c(C2CC2)n1N ZINC000052839029 527423009 /nfs/dbraw/zinc/42/30/09/527423009.db2.gz GHCLFIROUXAUGL-UHFFFAOYSA-N 1 2 250.252 2.002 10 0 CEAELO Nc1cc(F)ccc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000069399757 527454825 /nfs/dbraw/zinc/45/48/25/527454825.db2.gz WJMUVXNDGATLBN-UHFFFAOYSA-N 1 2 291.292 2.088 10 0 CEAELO Nc1ccc(COc2ccc3c(c2)CCC(=O)N3)c[nH+]1 ZINC000050830556 527483862 /nfs/dbraw/zinc/48/38/62/527483862.db2.gz MHQRMWKOMROITO-UHFFFAOYSA-N 1 2 269.304 2.128 10 0 CEAELO Nc1c[nH+]ccc1NS(=O)(=O)c1ccccc1Cl ZINC000062725965 527536401 /nfs/dbraw/zinc/53/64/01/527536401.db2.gz WBBUOGHQZISRFI-UHFFFAOYSA-N 1 2 283.740 2.118 10 0 CEAELO CC(C)n1nnnc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000177167087 528700118 /nfs/dbraw/zinc/70/01/18/528700118.db2.gz RIUYGHWRYOISML-UHFFFAOYSA-N 1 2 291.321 2.418 10 0 CEAELO CC(C)n1nnnc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000177167087 528700122 /nfs/dbraw/zinc/70/01/22/528700122.db2.gz RIUYGHWRYOISML-UHFFFAOYSA-N 1 2 291.321 2.418 10 0 CEAELO O=S(=O)(/C=C\c1ccccc1)Nc1cc[nH+]cc1 ZINC000255435024 624228600 /nfs/dbraw/zinc/22/86/00/624228600.db2.gz ISFGQQXFLGXJMA-FLIBITNWSA-N 1 2 260.318 2.494 10 0 CEAELO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179691642 641373833 /nfs/dbraw/zinc/37/38/33/641373833.db2.gz VPGNZESLLHXMDK-LBPRGKRZSA-N 1 2 282.771 2.146 10 0 CEAELO CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179691642 641373840 /nfs/dbraw/zinc/37/38/40/641373840.db2.gz VPGNZESLLHXMDK-LBPRGKRZSA-N 1 2 282.771 2.146 10 0 CEAELO COC(=O)[C@@](C)(c1cccc(Br)c1)[NH+](C)C ZINC000095532553 185005201 /nfs/dbraw/zinc/00/52/01/185005201.db2.gz HRYVTFFZDTVTPV-GFCCVEGCSA-N 1 2 286.169 2.399 10 0 CEAELO CCCC(CCC)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000125468211 187186918 /nfs/dbraw/zinc/18/69/18/187186918.db2.gz HUSJGMCRQGFFHB-OAHLLOKOSA-N 1 2 282.428 2.136 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)C2 ZINC000220577041 539258154 /nfs/dbraw/zinc/25/81/54/539258154.db2.gz MTTUWDPIOHGTTI-NTZNESFSSA-N 1 2 275.396 2.328 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)CC2 ZINC000220577041 539258156 /nfs/dbraw/zinc/25/81/56/539258156.db2.gz MTTUWDPIOHGTTI-NTZNESFSSA-N 1 2 275.396 2.328 10 0 CEAELO Cc1ccc(C[NH2+]C2COC2)c(Br)c1 ZINC000129629650 344345700 /nfs/dbraw/zinc/34/57/00/344345700.db2.gz QKLJWWULKCOKFU-UHFFFAOYSA-N 1 2 256.143 2.246 10 0 CEAELO c1cc(Nc2ccc(N3CCOCC3)[nH+]c2)nc(C2CC2)n1 ZINC000110126004 136464477 /nfs/dbraw/zinc/46/44/77/136464477.db2.gz DHTLLIIQZXKVQN-UHFFFAOYSA-N 1 2 297.362 2.329 10 0 CEAELO Cc1nc([C@H]([NH3+])c2occc2Br)co1 ZINC000306825234 344717764 /nfs/dbraw/zinc/71/77/64/344717764.db2.gz WKPFSJNJOWCXIB-QMMMGPOBSA-N 1 2 257.087 2.387 10 0 CEAELO Cc1nc(N[C@H]2CCO[C@@H]2C)c(Br)c(C)[nH+]1 ZINC000322794956 539406402 /nfs/dbraw/zinc/40/64/02/539406402.db2.gz MYLPIMIOCXCECH-APPZFPTMSA-N 1 2 286.173 2.445 10 0 CEAELO Cn1c2ccccc2[nH+]c1C[C@H](NN)c1cccc(F)c1 ZINC000097482209 185614727 /nfs/dbraw/zinc/61/47/27/185614727.db2.gz KMOIRKHGHVSOKO-AWEZNQCLSA-N 1 2 284.338 2.460 10 0 CEAELO CC1([C@H]([NH2+]N)[C@H]2CCOC3(CCOCC3)C2)CCCC1 ZINC000097763044 185663848 /nfs/dbraw/zinc/66/38/48/185663848.db2.gz RHPAPFVENKJCCE-UONOGXRCSA-N 1 2 282.428 2.374 10 0 CEAELO CC1(C)[C@H](Nc2ccc(-n3cc[nH+]c3)nc2)[C@H]2CCO[C@@H]21 ZINC000085633181 179108818 /nfs/dbraw/zinc/10/88/18/179108818.db2.gz AXZPDBTXYJMAHX-YUELXQCFSA-N 1 2 284.363 2.493 10 0 CEAELO Cc1nc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc[nH+]1 ZINC000129384959 365852858 /nfs/dbraw/zinc/85/28/58/365852858.db2.gz XTNOWUSKGBBUDQ-SMDDNHRTSA-N 1 2 291.301 2.376 10 0 CEAELO C[C@@H]1CC[C@H]([NH2+]c2cc3c(cc2N)OCC(=O)N3)[C@@H]1C ZINC000086070608 179224138 /nfs/dbraw/zinc/22/41/38/179224138.db2.gz KKXZSNZTBDRNKA-KKZNHRDASA-N 1 2 275.352 2.446 10 0 CEAELO Cn1c[nH+]cc1[C@H](O)c1cscc1Br ZINC000086553973 179307252 /nfs/dbraw/zinc/30/72/52/179307252.db2.gz ZSONXEZSQIRAFJ-SECBINFHSA-N 1 2 273.155 2.326 10 0 CEAELO [NH3+][C@@H](c1cscc1Br)c1ncccn1 ZINC000086554854 179307323 /nfs/dbraw/zinc/30/73/23/179307323.db2.gz SFMGJZNFNYIMNB-QMMMGPOBSA-N 1 2 270.155 2.349 10 0 CEAELO c1ncc([C@@H]2COCCC[N@H+]2Cc2ccccc2)[nH]1 ZINC000616648811 348547293 /nfs/dbraw/zinc/54/72/93/348547293.db2.gz YMPQEQCBOKVNIO-HNNXBMFYSA-N 1 2 257.337 2.373 10 0 CEAELO c1ncc([C@@H]2COCCC[N@@H+]2Cc2ccccc2)[nH]1 ZINC000616648811 348547295 /nfs/dbraw/zinc/54/72/95/348547295.db2.gz YMPQEQCBOKVNIO-HNNXBMFYSA-N 1 2 257.337 2.373 10 0 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Nc1c(Nc2ccc(F)c(F)c2)ncnc1-n1cc[nH+]c1 ZINC000040800405 174408402 /nfs/dbraw/zinc/40/84/02/174408402.db2.gz ZWLWCIWDFKERTO-UHFFFAOYSA-N 1 2 288.261 2.266 10 0 CEAELO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@H](C)O1 ZINC000663313286 414911083 /nfs/dbraw/zinc/91/10/83/414911083.db2.gz WLICFBPPTDPZMO-QWRGUYRKSA-N 1 2 257.337 2.431 10 0 CEAELO C[C@@H]1C[C@@H](O)CN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663987689 415113495 /nfs/dbraw/zinc/11/34/95/415113495.db2.gz UADNDWZAHJETBE-GHMZBOCLSA-N 1 2 257.337 2.024 10 0 CEAELO Cc1noc(C[NH2+][C@H]2CCCc3cc(O)ccc32)n1 ZINC000044747419 175243286 /nfs/dbraw/zinc/24/32/86/175243286.db2.gz QAHUXYJBPRGIHH-ZDUSSCGKSA-N 1 2 259.309 2.251 10 0 CEAELO S=c1[nH]nc(C2CC2)n1CCCCn1cc[nH+]c1 ZINC000045108441 175308753 /nfs/dbraw/zinc/30/87/53/175308753.db2.gz BTJXFQUFJJNMMB-UHFFFAOYSA-N 1 2 263.370 2.495 10 0 CEAELO CC(C)[N@@H+]1CC[C@H](CNc2ccc([NH3+])cc2C(=O)[O-])C1 ZINC000045141353 175316079 /nfs/dbraw/zinc/31/60/79/175316079.db2.gz JDYKLOAHKRJAGQ-LLVKDONJSA-N 1 2 277.368 2.109 10 0 CEAELO CC(C)[N@H+]1CC[C@H](CNc2ccc([NH3+])cc2C(=O)[O-])C1 ZINC000045141353 175316080 /nfs/dbraw/zinc/31/60/80/175316080.db2.gz JDYKLOAHKRJAGQ-LLVKDONJSA-N 1 2 277.368 2.109 10 0 CEAELO CC[NH2+][C@@](C)(CCN1CCc2ccccc21)C(=O)OCC ZINC000045224335 175331976 /nfs/dbraw/zinc/33/19/76/175331976.db2.gz UEWWNUWEALBFES-KRWDZBQOSA-N 1 2 290.407 2.371 10 0 CEAELO CC[NH2+][C@H](CN(CC)c1ccccc1C)C(=O)OCC ZINC000045369752 175363867 /nfs/dbraw/zinc/36/38/67/175363867.db2.gz FWIOHTMHWZVKIR-CQSZACIVSA-N 1 2 278.396 2.363 10 0 CEAELO Cc1cc[nH+]c(NC2CC(CO)C2)c1Br ZINC000664645355 415439444 /nfs/dbraw/zinc/43/94/44/415439444.db2.gz PSWMBOVQEHLLES-UHFFFAOYSA-N 1 2 271.158 2.335 10 0 CEAELO CC(C)[NH2+]Cc1noc([C@@H]2COc3ccccc32)n1 ZINC000070393376 175908390 /nfs/dbraw/zinc/90/83/90/175908390.db2.gz XPMQIBLUXZFAPG-LLVKDONJSA-N 1 2 259.309 2.092 10 0 CEAELO CC[C@@H]1CCC[C@@]([NH2+]C[C@@H]2CCCO2)(C(=O)OC)C1 ZINC000071125705 176035687 /nfs/dbraw/zinc/03/56/87/176035687.db2.gz DHZOMPDFHBBUOK-IPYPFGDCSA-N 1 2 269.385 2.267 10 0 CEAELO CCOC(=O)[C@@H](COc1cc(F)ccc1F)[NH2+]C(C)C ZINC000071168412 176049628 /nfs/dbraw/zinc/04/96/28/176049628.db2.gz PILGNRLKQHLFTC-GFCCVEGCSA-N 1 2 287.306 2.273 10 0 CEAELO CCNc1[nH+]cnc2c1cnn2Cc1ccc(F)cc1 ZINC000071193476 176075606 /nfs/dbraw/zinc/07/56/06/176075606.db2.gz RGVVKBCPNYHWGS-UHFFFAOYSA-N 1 2 271.299 2.446 10 0 CEAELO CC(C)C[C@H](C[NH+](C)C)[NH2+]CCCCCC(=O)[O-] ZINC000071293859 176111476 /nfs/dbraw/zinc/11/14/76/176111476.db2.gz QVEFKSROZSJIRS-CYBMUJFWSA-N 1 2 258.406 2.197 10 0 CEAELO Cc1cccnc1C[NH2+]Cc1cn2ccccc2n1 ZINC000071340177 176129966 /nfs/dbraw/zinc/12/99/66/176129966.db2.gz IWYUUSNSTXHUDZ-UHFFFAOYSA-N 1 2 252.321 2.328 10 0 CEAELO CCNc1ccc(Cn2c(C)c(C)sc2=O)c[nH+]1 ZINC000071351840 176135030 /nfs/dbraw/zinc/13/50/30/176135030.db2.gz MGFOFAXEOSTZTD-UHFFFAOYSA-N 1 2 263.366 2.402 10 0 CEAELO Cc1cn2ccc(C(=O)Nc3nccs3)cc2[nH+]1 ZINC000071554663 176196972 /nfs/dbraw/zinc/19/69/72/176196972.db2.gz JUUCLRPQULHSGJ-UHFFFAOYSA-N 1 2 258.306 2.352 10 0 CEAELO CC[N@H+](CCC(=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000071738255 176257450 /nfs/dbraw/zinc/25/74/50/176257450.db2.gz IOWILEQNQJYDDP-UHFFFAOYSA-N 1 2 290.407 2.448 10 0 CEAELO CC[N@@H+](CCC(=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000071738255 176257452 /nfs/dbraw/zinc/25/74/52/176257452.db2.gz IOWILEQNQJYDDP-UHFFFAOYSA-N 1 2 290.407 2.448 10 0 CEAELO COC(=O)[C@H]1C[C@H](Oc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000072233623 176344677 /nfs/dbraw/zinc/34/46/77/176344677.db2.gz JYPQRTNZYVAOJR-GZMMTYOYSA-N 1 2 290.146 2.276 10 0 CEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H](C2CCC2)C1 ZINC000662717421 415942263 /nfs/dbraw/zinc/94/22/63/415942263.db2.gz ZNTKZZSPIRZUEG-NWDGAFQWSA-N 1 2 272.339 2.022 10 0 CEAELO C[C@H]1COC[C@H](C)[NH+]1CCOc1ccccc1F ZINC000077366673 177258319 /nfs/dbraw/zinc/25/83/19/177258319.db2.gz NNLJWDUGLWRPNS-RYUDHWBXSA-N 1 2 253.317 2.314 10 0 CEAELO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccccn1 ZINC000078367403 177335678 /nfs/dbraw/zinc/33/56/78/177335678.db2.gz NAMCEAHESBBJPJ-UHFFFAOYSA-N 1 2 250.733 2.067 10 0 CEAELO CNc1nc(NCc2ccco2)[nH+]cc1Br ZINC000302156917 261350008 /nfs/dbraw/zinc/35/00/08/261350008.db2.gz NCIACRSIELPICG-UHFFFAOYSA-N 1 2 283.129 2.486 10 0 CEAELO C[C@H]1C[NH+](CCOCC(F)(F)C(F)F)C[C@H](C)O1 ZINC000188573818 262318492 /nfs/dbraw/zinc/31/84/92/262318492.db2.gz AUSTWMQHUGQSCN-IUCAKERBSA-N 1 2 273.270 2.013 10 0 CEAELO C[C@@H]1C[NH+](CC(=O)N(C)CC2CCCCC2)C[C@@H](C)O1 ZINC000076411994 279676957 /nfs/dbraw/zinc/67/69/57/279676957.db2.gz WVUAKDHMVOVLFH-ZIAGYGMSSA-N 1 2 282.428 2.134 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)Cc1cccc(OC)c1 ZINC000081526946 279692736 /nfs/dbraw/zinc/69/27/36/279692736.db2.gz BTLISQVFSHLWJZ-IBGZPJMESA-N 1 2 278.377 2.361 10 0 CEAELO Cc1cc(C[N@@H+]2CCCNC(=O)[C@H]2C)ccc1Cl ZINC000189093772 280142493 /nfs/dbraw/zinc/14/24/93/280142493.db2.gz MBHFFQJRKDXAPS-LLVKDONJSA-N 1 2 266.772 2.359 10 0 CEAELO Cc1cc(C[N@H+]2CCCNC(=O)[C@H]2C)ccc1Cl ZINC000189093772 280142496 /nfs/dbraw/zinc/14/24/96/280142496.db2.gz MBHFFQJRKDXAPS-LLVKDONJSA-N 1 2 266.772 2.359 10 0 CEAELO C[C@@H](CNC(=O)CC1CCC(C)(C)CC1)[NH+]1CCOCC1 ZINC000156987165 289205642 /nfs/dbraw/zinc/20/56/42/289205642.db2.gz CGRMQHDWYDKPEQ-AWEZNQCLSA-N 1 2 296.455 2.430 10 0 CEAELO C[N@@H+]1CCO[C@H](CNCc2c(F)ccc(F)c2Cl)C1 ZINC000527654842 313191084 /nfs/dbraw/zinc/19/10/84/313191084.db2.gz UAXLNEMOUJKRQI-SECBINFHSA-N 1 2 290.741 2.038 10 0 CEAELO C[N@H+]1CCO[C@H](CNCc2c(F)ccc(F)c2Cl)C1 ZINC000527654842 313191086 /nfs/dbraw/zinc/19/10/86/313191086.db2.gz UAXLNEMOUJKRQI-SECBINFHSA-N 1 2 290.741 2.038 10 0 CEAELO CCC[NH2+][C@@H](CCN(CC)c1ccccc1)C(=O)OC ZINC000062443891 519999805 /nfs/dbraw/zinc/99/98/05/519999805.db2.gz HBUVTDPOBSQABQ-HNNXBMFYSA-N 1 2 278.396 2.444 10 0 CEAELO CCC[NH2+][C@](C[N@H+](CC)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069096819 520118716 /nfs/dbraw/zinc/11/87/16/520118716.db2.gz YQEWQMCWWQYXBE-HNNXBMFYSA-N 1 2 270.417 2.197 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](CC)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069096819 520118726 /nfs/dbraw/zinc/11/87/26/520118726.db2.gz YQEWQMCWWQYXBE-HNNXBMFYSA-N 1 2 270.417 2.197 10 0 CEAELO CC[NH2+][C@H](CCOc1ccccc1F)C(=O)OCC ZINC000062549047 520194074 /nfs/dbraw/zinc/19/40/74/520194074.db2.gz NYVFYGHPQSSXFX-GFCCVEGCSA-N 1 2 269.316 2.136 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)Sc1cc(C)nn1C)C(=O)OC ZINC000068640792 520238861 /nfs/dbraw/zinc/23/88/61/520238861.db2.gz WWHPUCJKZGDPLQ-BXUZGUMPSA-N 1 2 299.440 2.140 10 0 CEAELO CCOC(=O)[C@@](CSc1ccccn1)([NH2+]C)C1CC1 ZINC000069187203 521170018 /nfs/dbraw/zinc/17/00/18/521170018.db2.gz DUSVJRWFLIYUEE-AWEZNQCLSA-N 1 2 280.393 2.105 10 0 CEAELO COC(=O)[C@H](CO[C@@H]1CCC[C@@H](C)C1)[NH2+]C(C)C ZINC000045472247 518010849 /nfs/dbraw/zinc/01/08/49/518010849.db2.gz QPXPNMAQGLNWHP-UPJWGTAASA-N 1 2 257.374 2.121 10 0 CEAELO CC(C)C[N@H+](C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C(C)C ZINC000069147066 519717614 /nfs/dbraw/zinc/71/76/14/519717614.db2.gz RVKPJGNTGGJSFM-INIZCTEOSA-N 1 2 282.428 2.338 10 0 CEAELO CC(C)C[N@@H+](C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C(C)C ZINC000069147066 519717616 /nfs/dbraw/zinc/71/76/16/519717616.db2.gz RVKPJGNTGGJSFM-INIZCTEOSA-N 1 2 282.428 2.338 10 0 CEAELO CCC[NH2+][C@@H](CCOCCC(C)C)C(=O)OCC ZINC000062543939 520002700 /nfs/dbraw/zinc/00/27/00/520002700.db2.gz FAMUWPKNYKYYHC-ZDUSSCGKSA-N 1 2 259.390 2.371 10 0 CEAELO CCC[NH2+][C@@H](CCOc1ccc(OC)cc1)C(=O)OC ZINC000062550574 520004729 /nfs/dbraw/zinc/00/47/29/520004729.db2.gz JMIOPNSTBYFUNG-AWEZNQCLSA-N 1 2 281.352 2.005 10 0 CEAELO CCC[NH2+][C@@](CO[C@@H](C)CC)(C(=O)OC)C1CC1 ZINC000069198212 520054932 /nfs/dbraw/zinc/05/49/32/520054932.db2.gz RFAJCWQOPNFAEE-SMDDNHRTSA-N 1 2 257.374 2.123 10 0 CEAELO CCC[NH2+][C@H](CCSc1cc(C)nn1C)C(=O)OCC ZINC000062603124 520078296 /nfs/dbraw/zinc/07/82/96/520078296.db2.gz KIMBRNARURSHOM-GFCCVEGCSA-N 1 2 299.440 2.142 10 0 CEAELO CCC[NH2+][C@H](CCOc1ccc(OCC)cc1)C(=O)OC ZINC000062547598 520079346 /nfs/dbraw/zinc/07/93/46/520079346.db2.gz TUXUOHLXHMAJBR-OAHLLOKOSA-N 1 2 295.379 2.395 10 0 CEAELO CCC[NH2+][C@H](CCOc1ccccc1OC)C(=O)OCC ZINC000062550182 520079508 /nfs/dbraw/zinc/07/95/08/520079508.db2.gz KTZWYVGTMWHJJZ-CYBMUJFWSA-N 1 2 295.379 2.395 10 0 CEAELO CC[NH2+][C@@H](CCSc1ccccc1)C(=O)OC ZINC000062597898 520094074 /nfs/dbraw/zinc/09/40/74/520094074.db2.gz IMCZMZHIVNBTCP-LBPRGKRZSA-N 1 2 253.367 2.320 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccccc1OC)C(=O)OCC ZINC000062550207 520094584 /nfs/dbraw/zinc/09/45/84/520094584.db2.gz BGVARZLCFOVURP-LBPRGKRZSA-N 1 2 281.352 2.005 10 0 CEAELO CC[NH2+][C@@H](CCSc1cccc(OC)c1)C(=O)OC ZINC000062598529 520095379 /nfs/dbraw/zinc/09/53/79/520095379.db2.gz HZNGAARGCRIFSC-ZDUSSCGKSA-N 1 2 283.393 2.329 10 0 CEAELO CCC[NH2+][C@](C)(COc1cc(F)cc(F)c1)C(=O)OC ZINC000054933896 520110233 /nfs/dbraw/zinc/11/02/33/520110233.db2.gz UMIQIGPQBBTPAT-CQSZACIVSA-N 1 2 287.306 2.275 10 0 CEAELO CCC[NH2+][C@](C)(C[C@@H](C)N(C)CC(F)(F)F)C(=O)OC ZINC000068627506 520110268 /nfs/dbraw/zinc/11/02/68/520110268.db2.gz QDDPBLVQEHRBOL-ZYHUDNBSSA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)c1ncccn1 ZINC000055224915 520110299 /nfs/dbraw/zinc/11/02/99/520110299.db2.gz FGTFXVZZPFJTRV-AWEZNQCLSA-N 1 2 273.336 2.193 10 0 CEAELO CCCNc1cc(Cn2c(C)csc2=O)cc[nH+]1 ZINC000052733351 520137952 /nfs/dbraw/zinc/13/79/52/520137952.db2.gz PQJMGTKNPWXNBQ-UHFFFAOYSA-N 1 2 263.366 2.483 10 0 CEAELO CCCNc1cc(Cn2c(C)cccc2=O)cc[nH+]1 ZINC000052733558 520138383 /nfs/dbraw/zinc/13/83/83/520138383.db2.gz ASSYAIHRTITBTG-UHFFFAOYSA-N 1 2 257.337 2.422 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)Oc1ccc(OC)cc1)C(=O)OC ZINC000068656817 520238478 /nfs/dbraw/zinc/23/84/78/520238478.db2.gz DZPOVAGBVWVACB-MLGOLLRUSA-N 1 2 295.379 2.394 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)Oc1ccccc1OC)C(=O)OC ZINC000068656600 520243003 /nfs/dbraw/zinc/24/30/03/520243003.db2.gz OOBAMHWJYMNYPJ-BLLLJJGKSA-N 1 2 295.379 2.394 10 0 CEAELO CCNc1cc(CN2CC(=O)Nc3ccccc32)cc[nH+]1 ZINC000052718254 520273335 /nfs/dbraw/zinc/27/33/35/520273335.db2.gz UYVXBGJRUNIUCO-UHFFFAOYSA-N 1 2 282.347 2.472 10 0 CEAELO CCNc1ccc(CSc2nnc(C)o2)c[nH+]1 ZINC000051039028 520303479 /nfs/dbraw/zinc/30/34/79/520303479.db2.gz OCKYWZQBPNOPTF-UHFFFAOYSA-N 1 2 250.327 2.497 10 0 CEAELO CCNc1nc(C[NH+]2CCC(O)CC2)nc2sccc21 ZINC000050792030 520356548 /nfs/dbraw/zinc/35/65/48/520356548.db2.gz VARHSHOTGIYXSK-UHFFFAOYSA-N 1 2 292.408 2.080 10 0 CEAELO CCNc1ncccc1C[N@@H+]1CCCC[C@H]1C(=O)OCC ZINC000052722134 520377557 /nfs/dbraw/zinc/37/75/57/520377557.db2.gz XRPBKQQZIFFFFA-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CCNc1ncccc1C[N@H+]1CCCC[C@H]1C(=O)OCC ZINC000052722134 520377566 /nfs/dbraw/zinc/37/75/66/520377566.db2.gz XRPBKQQZIFFFFA-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CCCC[NH+](CCCC)C[C@@]([NH2+]C)(C(=O)[O-])C1CC1 ZINC000069096556 520496754 /nfs/dbraw/zinc/49/67/54/520496754.db2.gz ZOEDXGXVUIGMGS-HNNXBMFYSA-N 1 2 270.417 2.341 10 0 CEAELO CCCCOCCO[C@@H](C)C[C@@](C)([NH2+]CC)C(=O)OC ZINC000068653040 520790454 /nfs/dbraw/zinc/79/04/54/520790454.db2.gz SEOYAQXXGYXCPL-DZGCQCFKSA-N 1 2 289.416 2.140 10 0 CEAELO CCCC[C@@H](CC)COCC[C@@H]([NH2+]C)C(=O)OC ZINC000062543047 521037335 /nfs/dbraw/zinc/03/73/35/521037335.db2.gz GOYIPWUNEMJVIS-CHWSQXEVSA-N 1 2 259.390 2.371 10 0 CEAELO CCCC[C@@H](CC)COCC[C@H]([NH2+]C)C(=O)OC ZINC000062543045 521038509 /nfs/dbraw/zinc/03/85/09/521038509.db2.gz GOYIPWUNEMJVIS-OLZOCXBDSA-N 1 2 259.390 2.371 10 0 CEAELO CCOC(=O)[C@@H](CCN1c2ccccc2CC[C@@H]1C)[NH2+]C ZINC000062436611 521058985 /nfs/dbraw/zinc/05/89/85/521058985.db2.gz NCTCRVDRVYHDKY-DZGCQCFKSA-N 1 2 290.407 2.369 10 0 CEAELO CCOC(=O)[C@@](CSCCOC)([NH2+]C(C)C)C1CC1 ZINC000069184563 521168457 /nfs/dbraw/zinc/16/84/57/521168457.db2.gz WDTMTGWINYVBTA-AWEZNQCLSA-N 1 2 289.441 2.076 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718204 521206026 /nfs/dbraw/zinc/20/60/26/521206026.db2.gz YNMKXJBRFAWTEJ-VIFPVBQESA-N 1 2 257.280 2.049 10 0 CEAELO CCN(C[C@@]([NH2+]C)(C(=O)OC)C1CC1)c1cccc(C)c1 ZINC000069100777 521234884 /nfs/dbraw/zinc/23/48/84/521234884.db2.gz XMNKPRJOMAEJAZ-KRWDZBQOSA-N 1 2 290.407 2.363 10 0 CEAELO CCOC(=O)[C@H](CCOc1cccc(F)c1)[NH2+]C1CC1 ZINC000062550376 521247256 /nfs/dbraw/zinc/24/72/56/521247256.db2.gz KHCJBMLFPPLIES-AWEZNQCLSA-N 1 2 281.327 2.278 10 0 CEAELO CCOC(=O)[C@](C)(C[C@H](C)OCC(F)(F)F)[NH2+]C1CC1 ZINC000068654687 521324511 /nfs/dbraw/zinc/32/45/11/521324511.db2.gz ZBFCNFNUAZSBSL-CABZTGNLSA-N 1 2 297.317 2.418 10 0 CEAELO CCOC(=O)[C@](COc1ccccc1OC)([NH2+]C)C1CC1 ZINC000069197645 521342517 /nfs/dbraw/zinc/34/25/17/521342517.db2.gz LPJMRFWLGGDAAE-MRXNPFEDSA-N 1 2 293.363 2.005 10 0 CEAELO CCOc1cccc(NC(=O)c2cccc(NN)[nH+]2)c1 ZINC000051117894 521396762 /nfs/dbraw/zinc/39/67/62/521396762.db2.gz KJVKZLUQEMULCA-UHFFFAOYSA-N 1 2 272.308 2.018 10 0 CEAELO CCCc1[nH+]c(-c2cccc(OCC)c2)c(N)n1N ZINC000052839444 521466230 /nfs/dbraw/zinc/46/62/30/521466230.db2.gz CASRTDVTPCWCFT-UHFFFAOYSA-N 1 2 260.341 2.197 10 0 CEAELO C[NH2+][C@@](C)(CS[C@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000054695988 522413436 /nfs/dbraw/zinc/41/34/36/522413436.db2.gz QAWPAAWMSPNOKR-MDZLAQPJSA-N 1 2 259.415 2.449 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)n1ccc(C(F)(F)F)n1)C(=O)OC ZINC000068649321 522423753 /nfs/dbraw/zinc/42/37/53/522423753.db2.gz MXUVASBCCCCNFP-KWQFWETISA-N 1 2 293.289 2.004 10 0 CEAELO CCc1[nH+]c2ccccc2n1CCC[C@@](C)([NH3+])C(=O)[O-] ZINC000062808028 522500713 /nfs/dbraw/zinc/50/07/13/522500713.db2.gz DVBKFASYXAITBA-OAHLLOKOSA-N 1 2 275.352 2.181 10 0 CEAELO CNc1[nH+]cccc1Cn1c2ccccc2oc1=O ZINC000052732769 522711569 /nfs/dbraw/zinc/71/15/69/522711569.db2.gz NLCSDWWMBYDXCO-UHFFFAOYSA-N 1 2 255.277 2.080 10 0 CEAELO CCc1nnc(C[N@H+](C)C[C@H](C)c2nccs2)n1C ZINC000183998786 522724486 /nfs/dbraw/zinc/72/44/86/522724486.db2.gz QQDUMFNKVRCRGR-JTQLQIEISA-N 1 2 279.413 2.070 10 0 CEAELO CCc1nnc(C[N@@H+](C)C[C@H](C)c2nccs2)n1C ZINC000183998786 522724506 /nfs/dbraw/zinc/72/45/06/522724506.db2.gz QQDUMFNKVRCRGR-JTQLQIEISA-N 1 2 279.413 2.070 10 0 CEAELO C[N@H+](C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CCCCC1 ZINC000069095795 523151695 /nfs/dbraw/zinc/15/16/95/523151695.db2.gz PWYZJYWIYGGGHC-MRXNPFEDSA-N 1 2 280.412 2.236 10 0 CEAELO C[N@@H+](C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CCCCC1 ZINC000069095795 523151706 /nfs/dbraw/zinc/15/17/06/523151706.db2.gz PWYZJYWIYGGGHC-MRXNPFEDSA-N 1 2 280.412 2.236 10 0 CEAELO COC(=O)[C@@](C)(CCn1ncc2ccccc21)[NH2+]C1CC1 ZINC000050528265 523814857 /nfs/dbraw/zinc/81/48/57/523814857.db2.gz KYKJYQXMFKYFHF-MRXNPFEDSA-N 1 2 287.363 2.110 10 0 CEAELO COC(=O)[C@@](C)(C[C@H](C)n1cc(Cl)c(C)n1)[NH2+]C1CC1 ZINC000068650671 523817457 /nfs/dbraw/zinc/81/74/57/523817457.db2.gz DLARFWWFRLYACG-LKFCYVNXSA-N 1 2 299.802 2.480 10 0 CEAELO CCc1cc(NC)nc(-c2ccc(O)c(OC)c2)[nH+]1 ZINC000050865047 523820481 /nfs/dbraw/zinc/82/04/81/523820481.db2.gz LZKDIUYXINHBMV-UHFFFAOYSA-N 1 2 259.309 2.462 10 0 CEAELO COC(=O)[C@](CSCC(C)C)([NH2+]C1CC1)C1CC1 ZINC000069184240 524005800 /nfs/dbraw/zinc/00/58/00/524005800.db2.gz UZGCTCARUROOFS-CQSZACIVSA-N 1 2 271.426 2.449 10 0 CEAELO Cc1cc(C)c(C(=O)C[N@@H+]2CCC[C@H](O)C2)cc1C ZINC000049136768 524217723 /nfs/dbraw/zinc/21/77/23/524217723.db2.gz UONACTLWUBCYBS-AWEZNQCLSA-N 1 2 261.365 2.251 10 0 CEAELO Cc1cc(C)c(C(=O)C[N@H+]2CCC[C@H](O)C2)cc1C ZINC000049136768 524217731 /nfs/dbraw/zinc/21/77/31/524217731.db2.gz UONACTLWUBCYBS-AWEZNQCLSA-N 1 2 261.365 2.251 10 0 CEAELO Cc1ccc(CNc2nc(Cl)nc(-n3cc[nH+]c3)n2)o1 ZINC000061542473 524620078 /nfs/dbraw/zinc/62/00/78/524620078.db2.gz KCVFNYRGFRQYNX-UHFFFAOYSA-N 1 2 290.714 2.224 10 0 CEAELO CSCCC[NH2+][C@H](c1ccco1)c1nccn1C ZINC000069432824 525483967 /nfs/dbraw/zinc/48/39/67/525483967.db2.gz CPYVGOMANJUXCS-GFCCVEGCSA-N 1 2 265.382 2.445 10 0 CEAELO COc1ccc2cc(CSc3nc[nH]n3)c(N)[nH+]c2c1 ZINC000050833912 525634655 /nfs/dbraw/zinc/63/46/55/525634655.db2.gz BNRUFGOUQDFEGG-UHFFFAOYSA-N 1 2 287.348 2.236 10 0 CEAELO CSC[C@H](C)C[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000069443739 525682197 /nfs/dbraw/zinc/68/21/97/525682197.db2.gz XVYGTFLHBAUEFP-MRVPVSSYSA-N 1 2 283.422 2.073 10 0 CEAELO Cc1cc2[nH+]cn([C@@H](C)C[C@](C)([NH3+])C(=O)[O-])c2cc1C ZINC000068648742 525686085 /nfs/dbraw/zinc/68/60/85/525686085.db2.gz KMHICYVYVUJVHC-NHYWBVRUSA-N 1 2 275.352 2.406 10 0 CEAELO C[C@H](C(=O)c1ccc(F)cc1F)N1CCn2cc[nH+]c2C1 ZINC000062254379 526191891 /nfs/dbraw/zinc/19/18/91/526191891.db2.gz DJCBUOUGPZKOIA-SNVBAGLBSA-N 1 2 291.301 2.248 10 0 CEAELO Cc1ccc(C(=O)[C@@H](C)[N@@H+](CC(N)=O)C(C)C)cc1C ZINC000049138214 526239256 /nfs/dbraw/zinc/23/92/56/526239256.db2.gz NPDPQTOYDZEKSG-CYBMUJFWSA-N 1 2 276.380 2.070 10 0 CEAELO Cc1ccc(C(=O)[C@@H](C)[N@H+](CC(N)=O)C(C)C)cc1C ZINC000049138214 526239259 /nfs/dbraw/zinc/23/92/59/526239259.db2.gz NPDPQTOYDZEKSG-CYBMUJFWSA-N 1 2 276.380 2.070 10 0 CEAELO O=C([O-])[C@@](C[NH+]1CCCCCCC1)([NH2+]C1CC1)C1CC1 ZINC000069090802 526294718 /nfs/dbraw/zinc/29/47/18/526294718.db2.gz DARBSNJIBBNASO-INIZCTEOSA-N 1 2 280.412 2.238 10 0 CEAELO Cc1csc([C@@H]2CN(CCCn3cc[nH+]c3)CCO2)n1 ZINC000183170150 526423628 /nfs/dbraw/zinc/42/36/28/526423628.db2.gz BWMNBDCRXUXSDD-ZDUSSCGKSA-N 1 2 292.408 2.112 10 0 CEAELO Cc1[nH]c(CNc2ccc3c(c2)NC(=O)[C@H](C)O3)c[nH+]1 ZINC000054821792 526899572 /nfs/dbraw/zinc/89/95/72/526899572.db2.gz WOBDXKFTROPENO-QMMMGPOBSA-N 1 2 272.308 2.050 10 0 CEAELO Cc1[nH]cc(CNc2ccc3c(c2)NC(=O)[C@H](C)O3)[nH+]1 ZINC000054821792 526899577 /nfs/dbraw/zinc/89/95/77/526899577.db2.gz WOBDXKFTROPENO-QMMMGPOBSA-N 1 2 272.308 2.050 10 0 CEAELO Cc1[nH+]c2ccccc2n1Cc1cccnc1C(N)=S ZINC000061663707 527171793 /nfs/dbraw/zinc/17/17/93/527171793.db2.gz BLSQQDFDXNDTPJ-UHFFFAOYSA-N 1 2 282.372 2.422 10 0 CEAELO O=S1(=O)CCC[C@@H](Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000069136386 527300996 /nfs/dbraw/zinc/30/09/96/527300996.db2.gz UOSOBMOOGKBNTR-CYBMUJFWSA-N 1 2 291.376 2.066 10 0 CEAELO Nc1cc(COc2ccc3c(c2)CCC(=O)N3)cc[nH+]1 ZINC000052734307 527449781 /nfs/dbraw/zinc/44/97/81/527449781.db2.gz BFDKNJCBDSBISJ-UHFFFAOYSA-N 1 2 269.304 2.128 10 0 CEAELO Nc1[nH+]cccc1Cn1ccc(=O)c2ccccc21 ZINC000052733937 527569814 /nfs/dbraw/zinc/56/98/14/527569814.db2.gz LGACLJLEUHMWTR-UHFFFAOYSA-N 1 2 251.289 2.027 10 0 CEAELO OCc1cccc(N2CCN(c3ccc(F)cc3)CC2)[nH+]1 ZINC000051041732 527636458 /nfs/dbraw/zinc/63/64/58/527636458.db2.gz JOUIQKIKIZCYAW-UHFFFAOYSA-N 1 2 287.338 2.040 10 0 CEAELO CCO[C@H]1CCCN(c2nc[nH+]c3cc(N)ccc32)C1 ZINC000087820670 535622921 /nfs/dbraw/zinc/62/29/21/535622921.db2.gz JORQXWGDDXCKGZ-LBPRGKRZSA-N 1 2 272.352 2.217 10 0 CEAELO CC[C@@H](N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)OC ZINC000189917101 535808605 /nfs/dbraw/zinc/80/86/05/535808605.db2.gz NIESZCAXXCTWKQ-IUODEOHRSA-N 1 2 287.363 2.475 10 0 CEAELO Cc1cnc(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)s1 ZINC000220614753 538853582 /nfs/dbraw/zinc/85/35/82/538853582.db2.gz MHXLRBOYNQPDBN-SECBINFHSA-N 1 2 276.365 2.227 10 0 CEAELO Cc1cnc(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)s1 ZINC000220614753 538853585 /nfs/dbraw/zinc/85/35/85/538853585.db2.gz MHXLRBOYNQPDBN-SECBINFHSA-N 1 2 276.365 2.227 10 0 CEAELO CCCCN(C)c1noc([C@@H]([NH3+])COC(C)(C)C)n1 ZINC000757120525 574825772 /nfs/dbraw/zinc/82/57/72/574825772.db2.gz AUILEHRSOGGXFE-JTQLQIEISA-N 1 2 270.377 2.121 10 0 CEAELO O=C(N[C@@H]1CCCOc2ccccc21)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263113654 631324012 /nfs/dbraw/zinc/32/40/12/631324012.db2.gz ALUKDNFTPMSDMA-NEPJUHHUSA-N 1 2 296.317 2.014 10 0 CEAELO CCCCCC[C@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000173067704 639840858 /nfs/dbraw/zinc/84/08/58/639840858.db2.gz MWUYDNSYKNWQCW-GJZGRUSLSA-N 1 2 284.444 2.430 10 0 CEAELO Cc1nc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000124063275 649367998 /nfs/dbraw/zinc/36/79/98/649367998.db2.gz CETUQZNMPGIZFE-JTQLQIEISA-N 1 2 297.318 2.055 10 0 CEAELO CCOC(=O)[C@H]([NH3+])c1c[nH]c2ccc(Br)cc21 ZINC000214822034 652723514 /nfs/dbraw/zinc/72/35/14/652723514.db2.gz AKHHHJINARUKLZ-LLVKDONJSA-N 1 2 297.152 2.493 10 0 CEAELO Cc1nc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000082289873 177948237 /nfs/dbraw/zinc/94/82/37/177948237.db2.gz PZSNXXDLVYTGJJ-JTQLQIEISA-N 1 2 276.365 2.194 10 0 CEAELO C[NH+](C)[C@@](C)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000095532541 185004947 /nfs/dbraw/zinc/00/49/47/185004947.db2.gz LGYZEONSUPDGMV-LLVKDONJSA-N 1 2 261.152 2.256 10 0 CEAELO Fc1ccc(Br)cc1C[NH2+]C1COC1 ZINC000082488251 178057170 /nfs/dbraw/zinc/05/71/70/178057170.db2.gz FHAYJSBZEBNTGY-UHFFFAOYSA-N 1 2 260.106 2.077 10 0 CEAELO Cc1ncsc1C[N@H+](C)Cc1csc(N)n1 ZINC000082633220 178141882 /nfs/dbraw/zinc/14/18/82/178141882.db2.gz KMXXVMJWBOXFLS-UHFFFAOYSA-N 1 2 254.384 2.122 10 0 CEAELO Cc1ncsc1C[N@@H+](C)Cc1csc(N)n1 ZINC000082633220 178141883 /nfs/dbraw/zinc/14/18/83/178141883.db2.gz KMXXVMJWBOXFLS-UHFFFAOYSA-N 1 2 254.384 2.122 10 0 CEAELO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000036959849 361875299 /nfs/dbraw/zinc/87/52/99/361875299.db2.gz JBTPHXOAQXHFPL-DTWKUNHWSA-N 1 2 255.387 2.017 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)c1ccc(F)c(F)c1 ZINC000177293069 529582637 /nfs/dbraw/zinc/58/26/37/529582637.db2.gz JDDUTUXBNMTURG-SFHVURJKSA-N 1 2 270.304 2.489 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(C)CC1)C2 ZINC000220574964 539258128 /nfs/dbraw/zinc/25/81/28/539258128.db2.gz FJRONDXLLVJEQQ-LBPRGKRZSA-N 1 2 261.369 2.082 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(C)CC1)CC2 ZINC000220574964 539258129 /nfs/dbraw/zinc/25/81/29/539258129.db2.gz FJRONDXLLVJEQQ-LBPRGKRZSA-N 1 2 261.369 2.082 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)c1ccccc1)C2 ZINC000220588243 539258627 /nfs/dbraw/zinc/25/86/27/539258627.db2.gz YYLLNONYBHGOQU-GFCCVEGCSA-N 1 2 269.348 2.486 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)c1ccccc1)CC2 ZINC000220588243 539258628 /nfs/dbraw/zinc/25/86/28/539258628.db2.gz YYLLNONYBHGOQU-GFCCVEGCSA-N 1 2 269.348 2.486 10 0 CEAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000016332871 343370841 /nfs/dbraw/zinc/37/08/41/343370841.db2.gz JNMIIQVTFNEEEB-APIJFGDWSA-N 1 2 290.407 2.362 10 0 CEAELO CC(C)CCO[C@@H]1CC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000177377237 539318664 /nfs/dbraw/zinc/31/86/64/539318664.db2.gz IRTHVGMUBQJWFG-CQSZACIVSA-N 1 2 292.427 2.330 10 0 CEAELO CC(C)CCO[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000177377237 539318666 /nfs/dbraw/zinc/31/86/66/539318666.db2.gz IRTHVGMUBQJWFG-CQSZACIVSA-N 1 2 292.427 2.330 10 0 CEAELO CCOC(=O)COCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000351439935 219096469 /nfs/dbraw/zinc/09/64/69/219096469.db2.gz IACCYMVGAVODSY-LBPRGKRZSA-N 1 2 298.408 2.250 10 0 CEAELO CCOC(=O)COCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000351439935 219096471 /nfs/dbraw/zinc/09/64/71/219096471.db2.gz IACCYMVGAVODSY-LBPRGKRZSA-N 1 2 298.408 2.250 10 0 CEAELO CC(C)OC(=O)CCCc1[nH+]c2cc(N)ccc2n1C ZINC000117789836 344290445 /nfs/dbraw/zinc/29/04/45/344290445.db2.gz WNNXAWPAXNZYEF-UHFFFAOYSA-N 1 2 275.352 2.430 10 0 CEAELO [NH3+][C@H](c1csnn1)c1sccc1Br ZINC000164678379 344472413 /nfs/dbraw/zinc/47/24/13/344472413.db2.gz HCOZFQDJAQYNSC-ZCFIWIBFSA-N 1 2 276.184 2.410 10 0 CEAELO CC(C)c1ccc(C(=O)C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000050152679 362406094 /nfs/dbraw/zinc/40/60/94/362406094.db2.gz VWKONRLIRMFGQK-HNNXBMFYSA-N 1 2 261.365 2.449 10 0 CEAELO CC(C)c1ccc(C(=O)C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000050152679 362406099 /nfs/dbraw/zinc/40/60/99/362406099.db2.gz VWKONRLIRMFGQK-HNNXBMFYSA-N 1 2 261.365 2.449 10 0 CEAELO NNc1ccnc(-c2cc(Br)cs2)[nH+]1 ZINC000051169019 362427226 /nfs/dbraw/zinc/42/72/26/362427226.db2.gz OCTOTALCABHGKL-UHFFFAOYSA-N 1 2 271.143 2.253 10 0 CEAELO Nc1c(Br)c[nH+]cc1OC(F)(F)F ZINC000238635908 344607232 /nfs/dbraw/zinc/60/72/32/344607232.db2.gz OABYPCVLHRNIRB-UHFFFAOYSA-N 1 2 257.009 2.325 10 0 CEAELO CC(C)NC(=O)CNc1ccc([NH+]2CCCC2)cc1 ZINC000057460991 362581794 /nfs/dbraw/zinc/58/17/94/362581794.db2.gz QEXSBKYLPUPXOD-UHFFFAOYSA-N 1 2 261.369 2.223 10 0 CEAELO CNc1nc(C2CC2)[nH+]c(C)c1I ZINC000085459685 179068630 /nfs/dbraw/zinc/06/86/30/179068630.db2.gz MCBRGESMQOBCNZ-UHFFFAOYSA-N 1 2 289.120 2.309 10 0 CEAELO CCC[NH2+][C@H](COc1cc(C)ccc1F)C(=O)OCC ZINC000085560418 179093777 /nfs/dbraw/zinc/09/37/77/179093777.db2.gz MCDSZAYILQWYTO-CYBMUJFWSA-N 1 2 283.343 2.444 10 0 CEAELO COC(=O)[C@H](C)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000035133564 136544725 /nfs/dbraw/zinc/54/47/25/136544725.db2.gz TYSAUSZFCRWIHI-GFCCVEGCSA-N 1 2 296.798 2.271 10 0 CEAELO Cc1ccc(S(=O)(=O)Nc2ccccc2C[NH3+])s1 ZINC000085810734 179177327 /nfs/dbraw/zinc/17/73/27/179177327.db2.gz HJSFZOVMSBDRKB-UHFFFAOYSA-N 1 2 282.390 2.316 10 0 CEAELO CC(=O)N1CC[NH+](Cc2cnoc2-c2ccccc2)CC1 ZINC000064551340 362788718 /nfs/dbraw/zinc/78/87/18/362788718.db2.gz RRMKUXOVFISEQL-UHFFFAOYSA-N 1 2 285.347 2.006 10 0 CEAELO CCOC(=O)[C@H](CC)[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063909 179390331 /nfs/dbraw/zinc/39/03/31/179390331.db2.gz XHNQTMHSOHANAO-LBPRGKRZSA-N 1 2 271.401 2.249 10 0 CEAELO c1c[nH]c([C@H]2CCOCC[N@H+]2Cc2ccccc2)n1 ZINC000616660285 348551939 /nfs/dbraw/zinc/55/19/39/348551939.db2.gz VVUXYIPMYBLFJH-CQSZACIVSA-N 1 2 257.337 2.373 10 0 CEAELO c1c[nH]c([C@H]2CCOCC[N@@H+]2Cc2ccccc2)n1 ZINC000616660285 348551941 /nfs/dbraw/zinc/55/19/41/348551941.db2.gz VVUXYIPMYBLFJH-CQSZACIVSA-N 1 2 257.337 2.373 10 0 CEAELO CC(C)(C)OC(=O)N1CCCO[C@@H](c2ccc(N)[nH+]c2)C1 ZINC000616652459 348549257 /nfs/dbraw/zinc/54/92/57/348549257.db2.gz ZNQRWNMVZPTATB-GFCCVEGCSA-N 1 2 293.367 2.193 10 0 CEAELO Cc1[nH+]c([C@H]2COc3ccccc3C2)nc(N)c1C ZINC000088037532 179537903 /nfs/dbraw/zinc/53/79/03/179537903.db2.gz AJPFLCCGKTZSFM-GFCCVEGCSA-N 1 2 255.321 2.394 10 0 CEAELO CC(C)(C)OC(=O)N1CCOCC[C@H]1c1ccc[nH+]c1N ZINC000616660988 348552879 /nfs/dbraw/zinc/55/28/79/348552879.db2.gz UZPCKWCXZAKKFY-LBPRGKRZSA-N 1 2 293.367 2.362 10 0 CEAELO COC(=O)N1C[C@H](c2ccc(N)[nH+]c2)Cc2ccccc21 ZINC000616669896 348556276 /nfs/dbraw/zinc/55/62/76/348556276.db2.gz JRGZMKPSPNDXGP-CYBMUJFWSA-N 1 2 283.331 2.407 10 0 CEAELO COC(=O)N1C[C@H](c2c[nH+]c[nH]2)Nc2ccccc21 ZINC000616684095 348560301 /nfs/dbraw/zinc/56/03/01/348560301.db2.gz KCKHGXZNESRHGT-LLVKDONJSA-N 1 2 258.281 2.149 10 0 CEAELO COC(=O)N1C[C@H](c2c[nH]c[nH+]2)Nc2ccccc21 ZINC000616684095 348560302 /nfs/dbraw/zinc/56/03/02/348560302.db2.gz KCKHGXZNESRHGT-LLVKDONJSA-N 1 2 258.281 2.149 10 0 CEAELO COCc1ccccc1[C@H]([NH2+]CC1CC1)C(=O)OC ZINC000088565976 179624652 /nfs/dbraw/zinc/62/46/52/179624652.db2.gz FFJOCXOMLSNVAH-AWEZNQCLSA-N 1 2 263.337 2.047 10 0 CEAELO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C=CS(=O)(=O)C1 ZINC000088853325 179683363 /nfs/dbraw/zinc/68/33/63/179683363.db2.gz WPFYBVOUBOXTLM-NWDGAFQWSA-N 1 2 281.377 2.047 10 0 CEAELO CC[C@H]([NH2+]Cc1cc(C)nn1C)c1nccs1 ZINC000089184234 179745794 /nfs/dbraw/zinc/74/57/94/179745794.db2.gz UHAVIQMGNLEFBA-NSHDSACASA-N 1 2 250.371 2.426 10 0 CEAELO COC(=O)[C@@](C)(CCCO[C@@H](C)C(F)(F)F)[NH2+]C1CC1 ZINC000090674398 180021833 /nfs/dbraw/zinc/02/18/33/180021833.db2.gz CGOJHKRJWXZRAH-JOYOIKCWSA-N 1 2 297.317 2.418 10 0 CEAELO COC(=O)c1cc(N[C@H](C)c2cccnc2)cc[nH+]1 ZINC000090737152 180034503 /nfs/dbraw/zinc/03/45/03/180034503.db2.gz MXMFVJOVTOUKSK-SNVBAGLBSA-N 1 2 257.293 2.436 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016482 180087031 /nfs/dbraw/zinc/08/70/31/180087031.db2.gz AQWLVBOLHFJBEB-ZDUSSCGKSA-N 1 2 275.352 2.240 10 0 CEAELO CC(C)n1c[nH+]cc1[C@H](Nc1ccccc1)C(N)=O ZINC000091272563 180117572 /nfs/dbraw/zinc/11/75/72/180117572.db2.gz KKXBSECSZHEKRD-ZDUSSCGKSA-N 1 2 258.325 2.103 10 0 CEAELO CN(C)c1[nH+]cccc1NCc1cncn1C1CC1 ZINC000091274823 180118977 /nfs/dbraw/zinc/11/89/77/180118977.db2.gz WNWLFCGNRJFXGT-UHFFFAOYSA-N 1 2 257.341 2.291 10 0 CEAELO O=C([O-])[C@@H](c1c[nH+]cn1C1CC1)[NH+]1CCCCCC1 ZINC000091277629 180119725 /nfs/dbraw/zinc/11/97/25/180119725.db2.gz SEKVSJCUNHCGQP-CYBMUJFWSA-N 1 2 263.341 2.220 10 0 CEAELO O[C@@H](c1c[nH+]cn1C1CC1)[C@H]1Cc2ccccc2N1 ZINC000091277336 180120127 /nfs/dbraw/zinc/12/01/27/180120127.db2.gz GOTKKUWMPKSVKI-UKRRQHHQSA-N 1 2 255.321 2.288 10 0 CEAELO CCc1nn(C)c(C[C@@H](O)c2c[nH+]cn2C2CC2)c1Cl ZINC000091277571 180120367 /nfs/dbraw/zinc/12/03/67/180120367.db2.gz LPXOQJPVTWSSNT-CYBMUJFWSA-N 1 2 294.786 2.443 10 0 CEAELO Cc1ccc(N[C@H](C(N)=O)c2c[nH+]cn2C2CC2)cc1 ZINC000091276738 180120435 /nfs/dbraw/zinc/12/04/35/180120435.db2.gz GTZHSWRXLQBGKA-AWEZNQCLSA-N 1 2 270.336 2.165 10 0 CEAELO CCOc1cccc(C=O)c1OCc1c[nH+]cn1C ZINC000091278547 180120996 /nfs/dbraw/zinc/12/09/96/180120996.db2.gz PYVHFQKULNRPIL-UHFFFAOYSA-N 1 2 260.293 2.210 10 0 CEAELO Cc1nc([C@@H]2CCOc3ccccc32)[nH+]c(NN)c1F ZINC000091501338 180174659 /nfs/dbraw/zinc/17/46/59/180174659.db2.gz UGBKWZWMZHTVDE-SNVBAGLBSA-N 1 2 274.299 2.124 10 0 CEAELO COC(=O)c1cncc(Nc2ccc3c(c2)CCC[NH2+]3)n1 ZINC000091418524 180150274 /nfs/dbraw/zinc/15/02/74/180150274.db2.gz YAOSWPOFQKGZHU-UHFFFAOYSA-N 1 2 284.319 2.365 10 0 CEAELO Cc1ccc2c(c1)[nH]c(=S)n2C[C@@H]1C[N@H+](C)CCO1 ZINC000091674905 180225462 /nfs/dbraw/zinc/22/54/62/180225462.db2.gz PXCXAQHZPZMAHE-NSHDSACASA-N 1 2 277.393 2.338 10 0 CEAELO Cc1ccc2c(c1)[nH]c(=S)n2C[C@@H]1C[N@@H+](C)CCO1 ZINC000091674905 180225463 /nfs/dbraw/zinc/22/54/63/180225463.db2.gz PXCXAQHZPZMAHE-NSHDSACASA-N 1 2 277.393 2.338 10 0 CEAELO C[N@@H+]1CCO[C@H](c2nc(-c3ccccc3N)cs2)C1 ZINC000091722364 180239765 /nfs/dbraw/zinc/23/97/65/180239765.db2.gz KPDHQAGLXBOHKN-ZDUSSCGKSA-N 1 2 275.377 2.395 10 0 CEAELO C[N@@H+]1CCO[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000091688679 180227007 /nfs/dbraw/zinc/22/70/07/180227007.db2.gz HFTJZAZHAVNSPA-LLVKDONJSA-N 1 2 273.254 2.219 10 0 CEAELO C[N@H+]1CCO[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000091688679 180227008 /nfs/dbraw/zinc/22/70/08/180227008.db2.gz HFTJZAZHAVNSPA-LLVKDONJSA-N 1 2 273.254 2.219 10 0 CEAELO C[N@H+]1CCO[C@H](c2nc(-c3ccccc3N)cs2)C1 ZINC000091722364 180239767 /nfs/dbraw/zinc/23/97/67/180239767.db2.gz KPDHQAGLXBOHKN-ZDUSSCGKSA-N 1 2 275.377 2.395 10 0 CEAELO CC(=O)c1cccc(SC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000092080047 180318842 /nfs/dbraw/zinc/31/88/42/180318842.db2.gz RRWOMGPPTHQVIE-ZDUSSCGKSA-N 1 2 265.378 2.312 10 0 CEAELO CC(=O)c1cccc(SC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000092080047 180318844 /nfs/dbraw/zinc/31/88/44/180318844.db2.gz RRWOMGPPTHQVIE-ZDUSSCGKSA-N 1 2 265.378 2.312 10 0 CEAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(C)on3)C2)c1 ZINC000105900431 186087161 /nfs/dbraw/zinc/08/71/61/186087161.db2.gz HVXIHCLGBJGZAE-CQSZACIVSA-N 1 2 260.341 2.325 10 0 CEAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C)on3)C2)c1 ZINC000105900431 186087163 /nfs/dbraw/zinc/08/71/63/186087163.db2.gz HVXIHCLGBJGZAE-CQSZACIVSA-N 1 2 260.341 2.325 10 0 CEAELO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)OC(C)(C)C)C2)c1 ZINC000105923321 186090706 /nfs/dbraw/zinc/09/07/06/186090706.db2.gz VVDRCBMJBSNUDG-CYBMUJFWSA-N 1 2 279.384 2.170 10 0 CEAELO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)OC(C)(C)C)C2)c1 ZINC000105923321 186090707 /nfs/dbraw/zinc/09/07/07/186090707.db2.gz VVDRCBMJBSNUDG-CYBMUJFWSA-N 1 2 279.384 2.170 10 0 CEAELO O=c1c2sccc2[nH]c(=S)n1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000105988610 186096482 /nfs/dbraw/zinc/09/64/82/186096482.db2.gz OCFVLMGFPLILCQ-VIFPVBQESA-N 1 2 293.417 2.156 10 0 CEAELO O=c1c2sccc2[nH]c(=S)n1[C@H]1CC[N@H+](C2CC2)C1 ZINC000105988610 186096483 /nfs/dbraw/zinc/09/64/83/186096483.db2.gz OCFVLMGFPLILCQ-VIFPVBQESA-N 1 2 293.417 2.156 10 0 CEAELO CCNc1ccncc1S(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000092366141 180369147 /nfs/dbraw/zinc/36/91/47/180369147.db2.gz UWGNIIPDBKVVHA-UHFFFAOYSA-N 1 2 292.364 2.018 10 0 CEAELO CCNc1cccc(C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000092366245 180369196 /nfs/dbraw/zinc/36/91/96/180369196.db2.gz RZOPHWIDGXJOTP-UHFFFAOYSA-N 1 2 256.309 2.469 10 0 CEAELO CCNc1ncccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000092366187 180369392 /nfs/dbraw/zinc/36/93/92/180369392.db2.gz OFGZGINDPODKKN-UHFFFAOYSA-N 1 2 256.309 2.469 10 0 CEAELO COc1ccccc1CN(C)Cc1cccc(N)[nH+]1 ZINC000092369178 180369885 /nfs/dbraw/zinc/36/98/85/180369885.db2.gz IXBUSIPEEIAWIA-UHFFFAOYSA-N 1 2 257.337 2.304 10 0 CEAELO Clc1ccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000105888721 186084855 /nfs/dbraw/zinc/08/48/55/186084855.db2.gz PMYUCMOXUHTJQQ-OAHLLOKOSA-N 1 2 291.782 2.438 10 0 CEAELO Clc1ccc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000105888721 186084856 /nfs/dbraw/zinc/08/48/56/186084856.db2.gz PMYUCMOXUHTJQQ-OAHLLOKOSA-N 1 2 291.782 2.438 10 0 CEAELO Cc1nc(SCc2cc(NN)cc[nH+]2)nc(C)c1C ZINC000092425944 180383871 /nfs/dbraw/zinc/38/38/71/180383871.db2.gz NZQOVDTWQTVBED-UHFFFAOYSA-N 1 2 275.381 2.375 10 0 CEAELO CC(C)[NH2+]Cc1noc([C@H]2COc3ccccc3C2)n1 ZINC000110540985 186302624 /nfs/dbraw/zinc/30/26/24/186302624.db2.gz CFEJFXCPDXWCMG-GFCCVEGCSA-N 1 2 273.336 2.286 10 0 CEAELO C[C@H]1CCCN(c2nc(Cl)nc(-n3cc[nH+]c3)n2)CC1 ZINC000110817355 186326594 /nfs/dbraw/zinc/32/65/94/186326594.db2.gz OMRIVVDMLVCZPZ-JTQLQIEISA-N 1 2 292.774 2.337 10 0 CEAELO CCc1[nH+]c(-c2ccc(OC)c(OC)c2Cl)c(N)n1N ZINC000110829278 186327394 /nfs/dbraw/zinc/32/73/94/186327394.db2.gz DWTBEHAURKEVTN-UHFFFAOYSA-N 1 2 296.758 2.079 10 0 CEAELO CCOC(=O)CN(Cc1[nH+]ccn1CC)C(C)(C)C ZINC000130736330 365986043 /nfs/dbraw/zinc/98/60/43/365986043.db2.gz RUDHJAHQHUSSIU-UHFFFAOYSA-N 1 2 267.373 2.067 10 0 CEAELO Cc1ccc(N)c(S(=O)(=O)Nc2cc[nH+]cc2C)c1C ZINC000111043168 186347543 /nfs/dbraw/zinc/34/75/43/186347543.db2.gz KHHPVNSLHQFMGK-UHFFFAOYSA-N 1 2 291.376 2.390 10 0 CEAELO c1ccc2c(c1)OCC[C@H]2c1nc(C[NH2+]C2CC2)no1 ZINC000111189422 186367597 /nfs/dbraw/zinc/36/75/97/186367597.db2.gz KJYGCBXHKIVCNK-GFCCVEGCSA-N 1 2 271.320 2.236 10 0 CEAELO C[N@H+](C[C@H]1CCCOC1)c1ccccc1C(N)=S ZINC000111178386 186365850 /nfs/dbraw/zinc/36/58/50/186365850.db2.gz SCAXTTLSHNYOBR-LLVKDONJSA-N 1 2 264.394 2.184 10 0 CEAELO C[N@@H+](C[C@H]1CCCOC1)c1ccccc1C(N)=S ZINC000111178386 186365852 /nfs/dbraw/zinc/36/58/52/186365852.db2.gz SCAXTTLSHNYOBR-LLVKDONJSA-N 1 2 264.394 2.184 10 0 CEAELO CC(C)n1nnnc1C[NH2+][C@@H](C)c1ccsc1 ZINC000669939282 540051559 /nfs/dbraw/zinc/05/15/59/540051559.db2.gz RSQFBIKCOZDGFT-VIFPVBQESA-N 1 2 251.359 2.166 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000075766244 363488233 /nfs/dbraw/zinc/48/82/33/363488233.db2.gz VVRBXCWSJBQASI-WDMOLILDSA-N 1 2 269.772 2.483 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000075766244 363488236 /nfs/dbraw/zinc/48/82/36/363488236.db2.gz VVRBXCWSJBQASI-WDMOLILDSA-N 1 2 269.772 2.483 10 0 CEAELO C[C@H](CNC(=O)CCCC1CCCC1)[NH+]1CCOCC1 ZINC000079506388 363610741 /nfs/dbraw/zinc/61/07/41/363610741.db2.gz CCJXCNNSGNTQIA-CQSZACIVSA-N 1 2 282.428 2.184 10 0 CEAELO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Br)o1 ZINC000294937523 199260664 /nfs/dbraw/zinc/26/06/64/199260664.db2.gz GRWMLCGPWBMNJB-WPRPVWTQSA-N 1 2 274.158 2.387 10 0 CEAELO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Br)o1 ZINC000294937523 199260666 /nfs/dbraw/zinc/26/06/66/199260666.db2.gz GRWMLCGPWBMNJB-WPRPVWTQSA-N 1 2 274.158 2.387 10 0 CEAELO COC(=O)c1cnc(-n2c[nH+]c(C)c2)c(Cl)c1 ZINC000145814019 366572758 /nfs/dbraw/zinc/57/27/58/366572758.db2.gz ULCOJNPATNTFKJ-UHFFFAOYSA-N 1 2 251.673 2.016 10 0 CEAELO O=C(c1cc(F)ccc1F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177754925 189067193 /nfs/dbraw/zinc/06/71/93/189067193.db2.gz NBBQSVZBPIXNAP-GFCCVEGCSA-N 1 2 291.301 2.466 10 0 CEAELO O=C(c1cc(Cl)c[nH]1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177801116 189070640 /nfs/dbraw/zinc/07/06/40/189070640.db2.gz URCVYYHGSQVODK-LLVKDONJSA-N 1 2 278.743 2.169 10 0 CEAELO C[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccnc1 ZINC000177805497 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ZINC000177829125 165211173 /nfs/dbraw/zinc/21/11/73/165211173.db2.gz MOBGXZMNDLNYKJ-DOMZBBRYSA-N 1 2 271.368 2.447 10 0 CEAELO CC(C)n1nnnc1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000177829125 165211178 /nfs/dbraw/zinc/21/11/78/165211178.db2.gz MOBGXZMNDLNYKJ-DOMZBBRYSA-N 1 2 271.368 2.447 10 0 CEAELO CCCCC[C@@H](CC)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000180107291 165298675 /nfs/dbraw/zinc/29/86/75/165298675.db2.gz QQYGMAJLDGHYBF-ZIAGYGMSSA-N 1 2 270.417 2.040 10 0 CEAELO CCCCC[C@@H](CC)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000180107291 165298679 /nfs/dbraw/zinc/29/86/79/165298679.db2.gz QQYGMAJLDGHYBF-ZIAGYGMSSA-N 1 2 270.417 2.040 10 0 CEAELO C[C@H](C(=O)Nc1cc(Cl)ccc1N)n1cc[nH+]c1 ZINC000019255580 170759168 /nfs/dbraw/zinc/75/91/68/170759168.db2.gz CLGHOCBELXTIAT-MRVPVSSYSA-N 1 2 264.716 2.318 10 0 CEAELO O=C(Nc1cccc(Cl)c1F)[C@@H]1CSC[NH2+]1 ZINC000020472618 171215463 /nfs/dbraw/zinc/21/54/63/171215463.db2.gz OWLLTXYMRRCHRA-QMMMGPOBSA-N 1 2 260.721 2.080 10 0 CEAELO [NH3+][C@H](c1nc(-c2cccnc2)no1)c1ccccc1 ZINC000021808601 171328445 /nfs/dbraw/zinc/32/84/45/171328445.db2.gz GJDTUWKGCXSPCL-LBPRGKRZSA-N 1 2 252.277 2.180 10 0 CEAELO Nc1ccc(F)c(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000022170520 171367734 /nfs/dbraw/zinc/36/77/34/171367734.db2.gz ONUIQKHLLGUJIT-UHFFFAOYSA-N 1 2 262.288 2.023 10 0 CEAELO C[C@H](Sc1ccc(N)[nH+]c1)C(=O)NC(C)(C)C ZINC000037192577 173022019 /nfs/dbraw/zinc/02/20/19/173022019.db2.gz SQAAGVDJHBRPRI-QMMMGPOBSA-N 1 2 253.371 2.059 10 0 CEAELO Cc1csc(C[NH2+]CC(=O)Nc2ccccc2F)n1 ZINC000038091644 174105783 /nfs/dbraw/zinc/10/57/83/174105783.db2.gz DKGNRFXMJBSMFL-UHFFFAOYSA-N 1 2 279.340 2.319 10 0 CEAELO COc1ccc(-c2[nH]c([C@H]3C[C@H](OC)C[NH2+]3)nc2C)cc1 ZINC000040637668 174361791 /nfs/dbraw/zinc/36/17/91/174361791.db2.gz IKNBBIZJPMEITQ-UONOGXRCSA-N 1 2 287.363 2.443 10 0 CEAELO COc1ccc(-c2[nH]c([C@@H]3C[C@H](OC)C[NH2+]3)nc2C)cc1 ZINC000040637667 174362067 /nfs/dbraw/zinc/36/20/67/174362067.db2.gz IKNBBIZJPMEITQ-KBPBESRZSA-N 1 2 287.363 2.443 10 0 CEAELO CCc1ccccc1Nc1[nH+]cnc(N(C)C)c1N ZINC000040688189 174375860 /nfs/dbraw/zinc/37/58/60/174375860.db2.gz MNKAGYVKMHPNCX-UHFFFAOYSA-N 1 2 257.341 2.431 10 0 CEAELO CCOC1CC[NH+](CC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000040689783 174376466 /nfs/dbraw/zinc/37/64/66/174376466.db2.gz CAYMBLPVXWNAFB-UHFFFAOYSA-N 1 2 291.347 2.099 10 0 CEAELO CCCc1cc(NC[C@H](O)c2ccc(N)cc2)nc[nH+]1 ZINC000040765820 174397853 /nfs/dbraw/zinc/39/78/53/174397853.db2.gz JTCIWZBZCMUXSP-AWEZNQCLSA-N 1 2 272.352 2.157 10 0 CEAELO C[NH2+]Cc1ccccc1CNc1nc(C2CC2)ns1 ZINC000404524311 414786941 /nfs/dbraw/zinc/78/69/41/414786941.db2.gz QRNGCJJVRHLHHU-UHFFFAOYSA-N 1 2 274.393 2.169 10 0 CEAELO C[NH2+][C@@H](c1nccs1)c1ccc(OC)c(OC)c1OC ZINC000041184672 174507335 /nfs/dbraw/zinc/50/73/35/174507335.db2.gz QPNONROLIZHPDP-LLVKDONJSA-N 1 2 294.376 2.478 10 0 CEAELO Cc1ccc(C(N)=S)c(N(CCO)C2CCCCC2)[nH+]1 ZINC000043396984 175036692 /nfs/dbraw/zinc/03/66/92/175036692.db2.gz XGEUGUZQMQMDEA-UHFFFAOYSA-N 1 2 293.436 2.156 10 0 CEAELO CCOC(=O)[C@](C)(CCN(CC)c1ccccc1)[NH2+]C ZINC000045232145 175335635 /nfs/dbraw/zinc/33/56/35/175335635.db2.gz ZKLOAJMEQXFTBQ-INIZCTEOSA-N 1 2 278.396 2.444 10 0 CEAELO CC[NH2+][C@](C)(CN(CC(F)(F)F)C(C)C)C(=O)OCC ZINC000045273919 175344525 /nfs/dbraw/zinc/34/45/25/175344525.db2.gz HOJCZYWUUCWSKB-GFCCVEGCSA-N 1 2 298.349 2.190 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281515 175352644 /nfs/dbraw/zinc/35/26/44/175352644.db2.gz CMEOJFKGYZPFDH-OAHLLOKOSA-N 1 2 270.417 2.341 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281515 175352645 /nfs/dbraw/zinc/35/26/45/175352645.db2.gz CMEOJFKGYZPFDH-OAHLLOKOSA-N 1 2 270.417 2.341 10 0 CEAELO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CCC(F)(F)CC1 ZINC000655525446 415327102 /nfs/dbraw/zinc/32/71/02/415327102.db2.gz ITUAQNVTCHLGBC-PSASIEDQSA-N 1 2 296.308 2.314 10 0 CEAELO COC(=O)[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)C(C)C ZINC000071090634 176031426 /nfs/dbraw/zinc/03/14/26/176031426.db2.gz KYPAPNAVUYWUPU-GJZGRUSLSA-N 1 2 277.364 2.088 10 0 CEAELO CCOC(=O)[C@H](CO[C@H]1CCC[C@@H](CC)C1)[NH2+]C ZINC000071133996 176035780 /nfs/dbraw/zinc/03/57/80/176035780.db2.gz NBJPSYSUKWUVQL-AGIUHOORSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@H](CO[C@@H]1CCC[C@@H](CC)C1)[NH2+]C ZINC000071133998 176035820 /nfs/dbraw/zinc/03/58/20/176035820.db2.gz NBJPSYSUKWUVQL-UPJWGTAASA-N 1 2 257.374 2.123 10 0 CEAELO Cc1noc(C)c1-c1nc(C)c(C(C)C)c(NN)[nH+]1 ZINC000071138444 176037021 /nfs/dbraw/zinc/03/70/21/176037021.db2.gz ANAZNGAHEIBNGL-UHFFFAOYSA-N 1 2 261.329 2.466 10 0 CEAELO Cc1ncsc1CNc1[nH+]cccc1C(N)=S ZINC000071213651 176085497 /nfs/dbraw/zinc/08/54/97/176085497.db2.gz MSMPWMBGSFKPRB-UHFFFAOYSA-N 1 2 264.379 2.093 10 0 CEAELO c1nc2ncnc(Nc3ccc4c(c3)CCC[NH2+]4)c2[nH]1 ZINC000071214990 176086355 /nfs/dbraw/zinc/08/63/55/176086355.db2.gz PLDNBTVUZRCTQF-UHFFFAOYSA-N 1 2 266.308 2.455 10 0 CEAELO CN(C)c1[nH+]cccc1NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335627 176127155 /nfs/dbraw/zinc/12/71/55/176127155.db2.gz HUXBTVCGEJWBIM-UHFFFAOYSA-N 1 2 292.383 2.179 10 0 CEAELO CCc1[nH+]c2ccc(C(=O)N3CCCC3)cn2c1C ZINC000071545036 176195932 /nfs/dbraw/zinc/19/59/32/176195932.db2.gz JRIGWGRXRZLUEW-UHFFFAOYSA-N 1 2 257.337 2.441 10 0 CEAELO Cc1[nH+]c2cc(CC(=O)NCc3ccncc3)ccc2n1C ZINC000074974988 176644701 /nfs/dbraw/zinc/64/47/01/176644701.db2.gz BUMCTZJVYHFLRL-UHFFFAOYSA-N 1 2 294.358 2.136 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000076725120 177070965 /nfs/dbraw/zinc/07/09/65/177070965.db2.gz UOZMXBRDNDYCOK-LBPRGKRZSA-N 1 2 281.425 2.332 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000076725120 177070966 /nfs/dbraw/zinc/07/09/66/177070966.db2.gz UOZMXBRDNDYCOK-LBPRGKRZSA-N 1 2 281.425 2.332 10 0 CEAELO CC(C)CCC[C@@H](C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000077930233 177311099 /nfs/dbraw/zinc/31/10/99/177311099.db2.gz FTVHMSIVXJEHAW-HUUCEWRRSA-N 1 2 299.459 2.221 10 0 CEAELO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)Nc1cccc(Cl)c1 ZINC000074902162 419412399 /nfs/dbraw/zinc/41/23/99/419412399.db2.gz DUWPQHMXLRJDFH-CYBMUJFWSA-N 1 2 297.786 2.134 10 0 CEAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1cccc(Cl)c1 ZINC000074902162 419412406 /nfs/dbraw/zinc/41/24/06/419412406.db2.gz DUWPQHMXLRJDFH-CYBMUJFWSA-N 1 2 297.786 2.134 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@H+](Cc1cccnc1)C2 ZINC000106370116 278075432 /nfs/dbraw/zinc/07/54/32/278075432.db2.gz YORHSIUFDSKDII-UHFFFAOYSA-N 1 2 270.380 2.497 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1cccnc1)C2 ZINC000106370116 278075434 /nfs/dbraw/zinc/07/54/34/278075434.db2.gz YORHSIUFDSKDII-UHFFFAOYSA-N 1 2 270.380 2.497 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cccnc1)C2 ZINC000106370116 278075436 /nfs/dbraw/zinc/07/54/36/278075436.db2.gz YORHSIUFDSKDII-UHFFFAOYSA-N 1 2 270.380 2.497 10 0 CEAELO Cc1cc(Br)cnc1N1CCn2cc[nH+]c2C1 ZINC000228320751 278627688 /nfs/dbraw/zinc/62/76/88/278627688.db2.gz AZBAVMIXPUVTGB-UHFFFAOYSA-N 1 2 293.168 2.369 10 0 CEAELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(O)c1 ZINC000194909883 280198359 /nfs/dbraw/zinc/19/83/59/280198359.db2.gz WNSDABZZBCMESY-ZWNOBZJWSA-N 1 2 258.325 2.169 10 0 CEAELO C[C@H]1CC[C@@H]([N@@H+]2CCC3(CCC3)S(=O)(=O)CC2)C1 ZINC000335177772 300039434 /nfs/dbraw/zinc/03/94/34/300039434.db2.gz RDBMSLMAVUOYRD-QWHCGFSZSA-N 1 2 271.426 2.218 10 0 CEAELO C[C@H]1CC[C@@H]([N@H+]2CCC3(CCC3)S(=O)(=O)CC2)C1 ZINC000335177772 300039438 /nfs/dbraw/zinc/03/94/38/300039438.db2.gz RDBMSLMAVUOYRD-QWHCGFSZSA-N 1 2 271.426 2.218 10 0 CEAELO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)c(C)[nH+]1 ZINC000176723860 312711465 /nfs/dbraw/zinc/71/14/65/312711465.db2.gz MOCCCSKKGVURSN-AAEUAGOBSA-N 1 2 263.341 2.387 10 0 CEAELO Cc1ccc(-c2noc([C@H]3C[N@@H+](C)C[C@@H](C)O3)n2)cc1 ZINC000527542890 313184350 /nfs/dbraw/zinc/18/43/50/313184350.db2.gz GYBOEYUKLBEBLE-DGCLKSJQSA-N 1 2 273.336 2.437 10 0 CEAELO Cc1ccc(-c2noc([C@H]3C[N@H+](C)C[C@@H](C)O3)n2)cc1 ZINC000527542890 313184352 /nfs/dbraw/zinc/18/43/52/313184352.db2.gz GYBOEYUKLBEBLE-DGCLKSJQSA-N 1 2 273.336 2.437 10 0 CEAELO CCC[NH2+][C@@](C)(Cn1nc(C)c(CC)c1C)C(=O)OCC ZINC000045459166 520047333 /nfs/dbraw/zinc/04/73/33/520047333.db2.gz CKBUHYNFRJCOCI-INIZCTEOSA-N 1 2 295.427 2.384 10 0 CEAELO CCC[NH2+][C@](C[N@H+](CC)[C@@H](C)CC)(C(=O)[O-])C1CC1 ZINC000069097578 520118691 /nfs/dbraw/zinc/11/86/91/520118691.db2.gz MTVXHBVIXUWZNW-WFASDCNBSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](CC)[C@@H](C)CC)(C(=O)[O-])C1CC1 ZINC000069097578 520118700 /nfs/dbraw/zinc/11/87/00/520118700.db2.gz MTVXHBVIXUWZNW-WFASDCNBSA-N 1 2 270.417 2.340 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)N(CC)CC(F)(F)F)C(=O)OC ZINC000068629509 520146062 /nfs/dbraw/zinc/14/60/62/520146062.db2.gz HWHAXZDHLBTMPL-JQWIXIFHSA-N 1 2 298.349 2.190 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccccc1CC)[NH2+]C ZINC000062594597 521246548 /nfs/dbraw/zinc/24/65/48/521246548.db2.gz AJCWQVFXEYAWLT-ZDUSSCGKSA-N 1 2 265.353 2.169 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)Oc1ccc(OC)cc1)C(=O)OC ZINC000068656852 522522939 /nfs/dbraw/zinc/52/29/39/522522939.db2.gz ZQNZGRZJLRZVFY-XHDPSFHLSA-N 1 2 281.352 2.004 10 0 CEAELO Nc1[nH+]c2c(cccc2F)n1CCOCC(F)(F)F ZINC000111640013 518197959 /nfs/dbraw/zinc/19/79/59/518197959.db2.gz MSVIKRCCSIMXJC-UHFFFAOYSA-N 1 2 277.221 2.337 10 0 CEAELO CC(C)c1[nH]n(CCCc2ccccc2)c(=O)c1CC[NH3+] ZINC000069506482 519558287 /nfs/dbraw/zinc/55/82/87/519558287.db2.gz IHHAHGYHGCMSME-HNNXBMFYSA-N 1 2 287.407 2.438 10 0 CEAELO CCC1=NN(c2ccc(F)cc2F)C(=O)[C@H]1CC[NH3+] ZINC000069506025 519849301 /nfs/dbraw/zinc/84/93/01/519849301.db2.gz YWBCKFBRJQCMAV-VIFPVBQESA-N 1 2 267.279 2.042 10 0 CEAELO CCCC1CC[NH+](C[C@@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069231657 519902024 /nfs/dbraw/zinc/90/20/24/519902024.db2.gz KRAOGWALBWOUTN-KRWDZBQOSA-N 1 2 294.439 2.484 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+]1CCCC(C)(C)C1)(C(=O)[O-])C1CC1 ZINC000069517014 520052604 /nfs/dbraw/zinc/05/26/04/520052604.db2.gz GWJOHYWCEZOELU-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@@](C[N@H+]1CCCC(C)(C)C1)(C(=O)[O-])C1CC1 ZINC000069517014 520052608 /nfs/dbraw/zinc/05/26/08/520052608.db2.gz GWJOHYWCEZOELU-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CC(C)n1ncc2cc(NCc3c[nH+]c[nH]3)cnc21 ZINC000054763751 520085213 /nfs/dbraw/zinc/08/52/13/520085213.db2.gz LCNLJDVDYADWIE-UHFFFAOYSA-N 1 2 256.313 2.347 10 0 CEAELO CC(C)n1ncc2cc(NCc3c[nH]c[nH+]3)cnc21 ZINC000054763751 520085222 /nfs/dbraw/zinc/08/52/22/520085222.db2.gz LCNLJDVDYADWIE-UHFFFAOYSA-N 1 2 256.313 2.347 10 0 CEAELO CC[NH2+][C@@](CN(C)c1ccc(F)cc1)(C(=O)OC)C1CC1 ZINC000069231132 520149757 /nfs/dbraw/zinc/14/97/57/520149757.db2.gz KMRKEDQCENTEFS-MRXNPFEDSA-N 1 2 294.370 2.193 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000068641945 520236471 /nfs/dbraw/zinc/23/64/71/520236471.db2.gz RNLNYLPLWGFBCI-MLGOLLRUSA-N 1 2 276.380 2.234 10 0 CEAELO CCNc1cc(C[N@@H+]2CCCC[C@H]2C(=O)OCC)ccn1 ZINC000052722196 520272313 /nfs/dbraw/zinc/27/23/13/520272313.db2.gz YMMAZZCQYCLGFQ-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CCNc1cc(C[N@H+]2CCCC[C@H]2C(=O)OCC)ccn1 ZINC000052722196 520272325 /nfs/dbraw/zinc/27/23/25/520272325.db2.gz YMMAZZCQYCLGFQ-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CCNc1ccccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000050649725 520343751 /nfs/dbraw/zinc/34/37/51/520343751.db2.gz WSFYPFUTBDOGFN-UHFFFAOYSA-N 1 2 277.349 2.314 10 0 CEAELO CCNc1nc2ccccc2cc1C[NH+]1CCOCC1 ZINC000050792201 520359669 /nfs/dbraw/zinc/35/96/69/520359669.db2.gz SBNQGMSBAMNYNA-UHFFFAOYSA-N 1 2 271.364 2.499 10 0 CEAELO CCNc1[nH+]cccc1Cn1cnc2sccc2c1=O ZINC000052732561 520378487 /nfs/dbraw/zinc/37/84/87/520378487.db2.gz NCWNXUSFVQQKOG-UHFFFAOYSA-N 1 2 286.360 2.333 10 0 CEAELO CCCCOCCOCC[C@H]([NH2+]C(C)C)C(=O)OCC ZINC000062542819 520789610 /nfs/dbraw/zinc/78/96/10/520789610.db2.gz CLDNMHRDHNNCPH-AWEZNQCLSA-N 1 2 289.416 2.140 10 0 CEAELO CCOc1ccc(-c2[nH+]c(C3CC3)n(N)c2N)cc1 ZINC000052839095 520815523 /nfs/dbraw/zinc/81/55/23/520815523.db2.gz OOACMIYPRXRUME-UHFFFAOYSA-N 1 2 258.325 2.122 10 0 CEAELO CCN(CC[C@H]([NH2+]C(C)C)C(=O)OC)c1ccccc1 ZINC000062443902 521158224 /nfs/dbraw/zinc/15/82/24/521158224.db2.gz BQVFNTPPNNLIHA-HNNXBMFYSA-N 1 2 278.396 2.443 10 0 CEAELO CCOC(=O)[C@@](COc1ccc(F)cc1F)([NH2+]C)C1CC1 ZINC000069196899 521168725 /nfs/dbraw/zinc/16/87/25/521168725.db2.gz CPIYJAOTYPDZHM-HNNXBMFYSA-N 1 2 299.317 2.275 10 0 CEAELO CCOC(=O)[C@H](CCOc1cccc2cccnc21)[NH2+]C ZINC000062545755 521247607 /nfs/dbraw/zinc/24/76/07/521247607.db2.gz SCTZBRGBWCQJMJ-ZDUSSCGKSA-N 1 2 288.347 2.155 10 0 CEAELO CCOc1ccccc1OCC[C@H]([NH2+]C(C)C)C(=O)OC ZINC000062548193 521566062 /nfs/dbraw/zinc/56/60/62/521566062.db2.gz LVGPCDIGMLLSTH-ZDUSSCGKSA-N 1 2 295.379 2.394 10 0 CEAELO CCC1(C)CC[NH+](c2ccc(N)c(C(N)=O)c2)CC1 ZINC000062960704 521678325 /nfs/dbraw/zinc/67/83/25/521678325.db2.gz YDOJGRBPEFXFSL-UHFFFAOYSA-N 1 2 261.369 2.384 10 0 CEAELO CCc1[nH+]c(-c2cccc(Br)c2)c(N)n1N ZINC000052838763 522146553 /nfs/dbraw/zinc/14/65/53/522146553.db2.gz LCLSQFNNAHDYPS-UHFFFAOYSA-N 1 2 281.157 2.171 10 0 CEAELO CCc1[nH+]c(-c2ccc(Cl)c(F)c2)c(N)n1N ZINC000052838922 522147424 /nfs/dbraw/zinc/14/74/24/522147424.db2.gz UULSPSZPDJZHBG-UHFFFAOYSA-N 1 2 254.696 2.201 10 0 CEAELO COC(=O)c1cccc(NCc2[nH]c[nH+]c2C)c1C ZINC000054795426 522239236 /nfs/dbraw/zinc/23/92/36/522239236.db2.gz QLWSYZZQZWCZNM-UHFFFAOYSA-N 1 2 259.309 2.425 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)Oc1ccc(C)cc1OC)C(=O)OC ZINC000068657141 522418369 /nfs/dbraw/zinc/41/83/69/522418369.db2.gz BUPOZFSCOOYATJ-LRDDRELGSA-N 1 2 295.379 2.312 10 0 CEAELO C[NH2+][C@H](CCSc1ccc(F)cc1)C(=O)OC ZINC000062598913 522463313 /nfs/dbraw/zinc/46/33/13/522463313.db2.gz MIUZKYCALCTAFM-LLVKDONJSA-N 1 2 257.330 2.069 10 0 CEAELO CCc1nc2ccccc2n1CC[C@@](C)([NH2+]C)C(=O)OC ZINC000062807988 522501297 /nfs/dbraw/zinc/50/12/97/522501297.db2.gz VFPBLINXIBRJOR-MRXNPFEDSA-N 1 2 289.379 2.140 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)n1cc(C(F)(F)F)cn1)C(=O)OC ZINC000068650407 522526168 /nfs/dbraw/zinc/52/61/68/522526168.db2.gz JWFUAZAHGDGHJO-GZMMTYOYSA-N 1 2 293.289 2.004 10 0 CEAELO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(F)ccc1C(N)=S ZINC000069402738 523350117 /nfs/dbraw/zinc/35/01/17/523350117.db2.gz MMEQOQSBYCFCJL-MFKMUULPSA-N 1 2 296.411 2.459 10 0 CEAELO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(F)ccc1C(N)=S ZINC000069402738 523350123 /nfs/dbraw/zinc/35/01/23/523350123.db2.gz MMEQOQSBYCFCJL-MFKMUULPSA-N 1 2 296.411 2.459 10 0 CEAELO CCn1cc[nH+]c1-n1ccnc1-c1ccc(N)cc1 ZINC000050614498 523512495 /nfs/dbraw/zinc/51/24/95/523512495.db2.gz OLXAESMVDWSDRE-UHFFFAOYSA-N 1 2 253.309 2.338 10 0 CEAELO CN(Cc1[nH+]ccn1C)c1ccc(Cl)cc1C(N)=S ZINC000062255873 523594697 /nfs/dbraw/zinc/59/46/97/523594697.db2.gz VCPFSDFHHMSUNC-UHFFFAOYSA-N 1 2 294.811 2.344 10 0 CEAELO CCc1cc(N)nc(-c2cc(OC)cc(OC)c2)[nH+]1 ZINC000050866824 523789795 /nfs/dbraw/zinc/78/97/95/523789795.db2.gz PRYQFUHOZQWXDZ-UHFFFAOYSA-N 1 2 259.309 2.305 10 0 CEAELO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc(C)o2)n1 ZINC000182568583 523835992 /nfs/dbraw/zinc/83/59/92/523835992.db2.gz KTTKOVGVPBAJEB-JTQLQIEISA-N 1 2 261.325 2.497 10 0 CEAELO COC(=O)[C@H](CCOc1ccc(OC)cc1)[NH2+]C(C)C ZINC000062550662 523899517 /nfs/dbraw/zinc/89/95/17/523899517.db2.gz QRNWNEXVJZSXTA-AWEZNQCLSA-N 1 2 281.352 2.004 10 0 CEAELO COC(=O)[C@H]([NH2+]CC1CC1)c1cccc2cccnc21 ZINC000069503450 523924548 /nfs/dbraw/zinc/92/45/48/523924548.db2.gz UZKIHKBQUXWKFM-OAHLLOKOSA-N 1 2 270.332 2.449 10 0 CEAELO COc1ccc([NH2+]CCCC(=O)N(C)C)c(C)c1 ZINC000061567108 524676185 /nfs/dbraw/zinc/67/61/85/524676185.db2.gz OYBVLWDZZAVKCQ-UHFFFAOYSA-N 1 2 250.342 2.284 10 0 CEAELO Cc1ccc(NC(=O)c2cccc(NN)[nH+]2)cc1C ZINC000051093432 525244053 /nfs/dbraw/zinc/24/40/53/525244053.db2.gz OHBSQMPIZWKQGM-UHFFFAOYSA-N 1 2 256.309 2.236 10 0 CEAELO Cc1c(C)n(Cc2cnc(C)cn2)c2nc(C)[nH+]c(N)c12 ZINC000061322266 525688516 /nfs/dbraw/zinc/68/85/16/525688516.db2.gz RGCYUXDSSUHENU-UHFFFAOYSA-N 1 2 282.351 2.085 10 0 CEAELO CSCc1noc([C@@H]2[NH2+]CCc3sccc32)n1 ZINC000054494169 525771371 /nfs/dbraw/zinc/77/13/71/525771371.db2.gz UXWGYVRESLGTTF-SNVBAGLBSA-N 1 2 267.379 2.229 10 0 CEAELO COc1cccc(NC(=O)Nc2cc[nH+]cc2N)c1 ZINC000062726035 526195550 /nfs/dbraw/zinc/19/55/50/526195550.db2.gz IPSVNIVYABOAFR-UHFFFAOYSA-N 1 2 258.281 2.316 10 0 CEAELO C[C@H]1CCCCN1c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061535428 526252573 /nfs/dbraw/zinc/25/25/73/526252573.db2.gz VNJGHYIOQRTUAY-VIFPVBQESA-N 1 2 278.747 2.090 10 0 CEAELO Cc1[nH]c(CNc2ccc3c(c2)NC(=O)CS3)c[nH+]1 ZINC000054821991 526899024 /nfs/dbraw/zinc/89/90/24/526899024.db2.gz COYWBZZFCSYBFW-UHFFFAOYSA-N 1 2 274.349 2.374 10 0 CEAELO Cc1[nH]cc(CNc2ccc3c(c2)NC(=O)CS3)[nH+]1 ZINC000054821991 526899028 /nfs/dbraw/zinc/89/90/28/526899028.db2.gz COYWBZZFCSYBFW-UHFFFAOYSA-N 1 2 274.349 2.374 10 0 CEAELO O=C1CCCN1c1ccccc1NCc1c[nH+]c[nH]1 ZINC000054763734 526982096 /nfs/dbraw/zinc/98/20/96/526982096.db2.gz DTLBNPFGNLEBIN-UHFFFAOYSA-N 1 2 256.309 2.149 10 0 CEAELO O=C1CCCN1c1ccccc1NCc1c[nH]c[nH+]1 ZINC000054763734 526982101 /nfs/dbraw/zinc/98/21/01/526982101.db2.gz DTLBNPFGNLEBIN-UHFFFAOYSA-N 1 2 256.309 2.149 10 0 CEAELO NNc1cccc(C(=O)Nc2ccc(F)c(F)c2F)[nH+]1 ZINC000051090046 527283349 /nfs/dbraw/zinc/28/33/49/527283349.db2.gz WYBDYNGSSDTGBF-UHFFFAOYSA-N 1 2 282.225 2.037 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)CCOc1ccccc1 ZINC000062725763 527536731 /nfs/dbraw/zinc/53/67/31/527536731.db2.gz BHTDOBODNYQXIZ-UHFFFAOYSA-N 1 2 257.293 2.071 10 0 CEAELO Nc1[nH+]cccc1CN1C(=O)CCc2cc(F)ccc21 ZINC000052733417 527568457 /nfs/dbraw/zinc/56/84/57/527568457.db2.gz NDSYZVVKSJCUOS-UHFFFAOYSA-N 1 2 271.295 2.282 10 0 CEAELO Cc1nc(N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)cc[nH+]1 ZINC000888078966 624708105 /nfs/dbraw/zinc/70/81/05/624708105.db2.gz NWXOPTUWRBAPQA-GOEBONIOSA-N 1 2 299.378 2.334 10 0 CEAELO CCC[C@@H]([NH3+])c1nc(-c2ccc(O)c(F)c2)no1 ZINC000232348578 628947879 /nfs/dbraw/zinc/94/78/79/628947879.db2.gz XVWQOXNQRQXWFX-SECBINFHSA-N 1 2 251.261 2.381 10 0 CEAELO CCCNc1cc(NCC[C@@H]2CCCO2)nc[nH+]1 ZINC000131926713 652481616 /nfs/dbraw/zinc/48/16/16/652481616.db2.gz UACKHAXYJLUDJE-NSHDSACASA-N 1 2 250.346 2.280 10 0 CEAELO CCCNc1cc(NCC[C@@H]2CCCO2)[nH+]cn1 ZINC000131926713 652481618 /nfs/dbraw/zinc/48/16/18/652481618.db2.gz UACKHAXYJLUDJE-NSHDSACASA-N 1 2 250.346 2.280 10 0 CEAELO COC(=O)[C@@H](c1ccc(F)c(Br)c1)[NH+](C)C ZINC000095532650 185004653 /nfs/dbraw/zinc/00/46/53/185004653.db2.gz DTVCRJNSMOAENX-SNVBAGLBSA-N 1 2 290.132 2.364 10 0 CEAELO C[NH+](C)[C@](C)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000095532542 185005335 /nfs/dbraw/zinc/00/53/35/185005335.db2.gz LGYZEONSUPDGMV-NSHDSACASA-N 1 2 261.152 2.256 10 0 CEAELO CC[C@H](SC)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000124720350 187150367 /nfs/dbraw/zinc/15/03/67/187150367.db2.gz VNGNRSQOUIEIIG-NEPJUHHUSA-N 1 2 267.398 2.016 10 0 CEAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2nncn2C)o1 ZINC000124807447 365661416 /nfs/dbraw/zinc/66/14/16/365661416.db2.gz MTHWAVXBTPHTRZ-GFCCVEGCSA-N 1 2 260.341 2.444 10 0 CEAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2nncn2C)o1 ZINC000124807447 365661420 /nfs/dbraw/zinc/66/14/20/365661420.db2.gz MTHWAVXBTPHTRZ-GFCCVEGCSA-N 1 2 260.341 2.444 10 0 CEAELO CCCC[C@@H](CCC)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000124916629 365663209 /nfs/dbraw/zinc/66/32/09/365663209.db2.gz VDFJEYFXVUVVOO-HUUCEWRRSA-N 1 2 299.459 2.223 10 0 CEAELO CCCC[C@@H](CCC)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000124916629 365663215 /nfs/dbraw/zinc/66/32/15/365663215.db2.gz VDFJEYFXVUVVOO-HUUCEWRRSA-N 1 2 299.459 2.223 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H](C)C1)C2 ZINC000220574877 539258203 /nfs/dbraw/zinc/25/82/03/539258203.db2.gz PHTPVVGCEBQTGU-ZYHUDNBSSA-N 1 2 261.369 2.082 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H](C)C1)CC2 ZINC000220574877 539258204 /nfs/dbraw/zinc/25/82/04/539258204.db2.gz PHTPVVGCEBQTGU-ZYHUDNBSSA-N 1 2 261.369 2.082 10 0 CEAELO CCOC(=O)[C@]1(C)C[N@H+](Cc2ccccc2)CCC1=O ZINC000034342760 343419252 /nfs/dbraw/zinc/41/92/52/343419252.db2.gz FHWVQKMCUWPKKK-MRXNPFEDSA-N 1 2 275.348 2.031 10 0 CEAELO CCOC(=O)[C@]1(C)C[N@@H+](Cc2ccccc2)CCC1=O ZINC000034342760 343419254 /nfs/dbraw/zinc/41/92/54/343419254.db2.gz FHWVQKMCUWPKKK-MRXNPFEDSA-N 1 2 275.348 2.031 10 0 CEAELO CCOC(=O)[C@@H](CO)CCCCCCn1cc[nH+]c1 ZINC000039320231 343436075 /nfs/dbraw/zinc/43/60/75/343436075.db2.gz DXGJREAFVQOJMN-CYBMUJFWSA-N 1 2 268.357 2.005 10 0 CEAELO CCn1c(C)nnc1C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177382894 539318647 /nfs/dbraw/zinc/31/86/47/539318647.db2.gz ZMUHPWYZVWPHDJ-CQSZACIVSA-N 1 2 280.416 2.243 10 0 CEAELO CCn1c(C)nnc1C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177382894 539318649 /nfs/dbraw/zinc/31/86/49/539318649.db2.gz ZMUHPWYZVWPHDJ-CQSZACIVSA-N 1 2 280.416 2.243 10 0 CEAELO COC(=O)c1ccc(C[NH+]2[C@@H](C)COC[C@@H]2C)c(F)c1 ZINC000135593934 344382417 /nfs/dbraw/zinc/38/24/17/344382417.db2.gz RGQJMWQEAUCEJE-QWRGUYRKSA-N 1 2 281.327 2.222 10 0 CEAELO CC(=O)Nc1ccc2c(c1)c(Cc1c[nH]c[nH+]1)cn2C ZINC000147270034 344412083 /nfs/dbraw/zinc/41/20/83/344412083.db2.gz FWFQYZBSFXQYTG-UHFFFAOYSA-N 1 2 268.320 2.451 10 0 CEAELO C[NH+](C)Cc1nc(Br)cc(Br)n1 ZINC000160960013 344462743 /nfs/dbraw/zinc/46/27/43/344462743.db2.gz FVFNUTWSHQQXBB-UHFFFAOYSA-N 1 2 294.978 2.063 10 0 CEAELO CC[C@H](C)N(C)c1nc[nH+]c(N)c1Br ZINC000234003150 344582996 /nfs/dbraw/zinc/58/29/96/344582996.db2.gz XELSUCNWXZVEKC-LURJTMIESA-N 1 2 259.151 2.056 10 0 CEAELO CC[C@H](C)N(C)c1[nH+]cnc(N)c1Br ZINC000234003150 344583000 /nfs/dbraw/zinc/58/30/00/344583000.db2.gz XELSUCNWXZVEKC-LURJTMIESA-N 1 2 259.151 2.056 10 0 CEAELO CN(Cc1ccco1)c1cc(N[C@@H]2CCCOC2)[nH+]cn1 ZINC000328655183 344758159 /nfs/dbraw/zinc/75/81/59/344758159.db2.gz YCPKRKVRTFYWFF-GFCCVEGCSA-N 1 2 288.351 2.297 10 0 CEAELO CN(Cc1ccco1)c1cc(N[C@@H]2CCCOC2)nc[nH+]1 ZINC000328655183 344758162 /nfs/dbraw/zinc/75/81/62/344758162.db2.gz YCPKRKVRTFYWFF-GFCCVEGCSA-N 1 2 288.351 2.297 10 0 CEAELO CCc1ccc(C[N@@H+]2CCO[C@H](c3nncn3CC)C2)o1 ZINC000328622509 344755514 /nfs/dbraw/zinc/75/55/14/344755514.db2.gz BGQHAAFSQLSZQB-AWEZNQCLSA-N 1 2 290.367 2.027 10 0 CEAELO CCc1ccc(C[N@H+]2CCO[C@H](c3nncn3CC)C2)o1 ZINC000328622509 344755516 /nfs/dbraw/zinc/75/55/16/344755516.db2.gz BGQHAAFSQLSZQB-AWEZNQCLSA-N 1 2 290.367 2.027 10 0 CEAELO Cc1ccccc1CC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000328630816 344756366 /nfs/dbraw/zinc/75/63/66/344756366.db2.gz QFTBGWMWIGRZFS-OAHLLOKOSA-N 1 2 297.402 2.455 10 0 CEAELO C[C@@H](C(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1)c1cccnc1 ZINC000328625250 344756496 /nfs/dbraw/zinc/75/64/96/344756496.db2.gz KNHMIXUETBUEKT-KGLIPLIRSA-N 1 2 298.390 2.103 10 0 CEAELO Cc1ccc(NC(=O)Cc2cccc3[nH+]ccn32)nc1 ZINC000584605496 344963608 /nfs/dbraw/zinc/96/36/08/344963608.db2.gz QROCJJTUMQGXOF-UHFFFAOYSA-N 1 2 266.304 2.219 10 0 CEAELO O=c1cc(-c2c[nH]c3[nH+]ccc(N4CCOCC4)c23)cc[nH]1 ZINC000584621800 344967164 /nfs/dbraw/zinc/96/71/64/344967164.db2.gz FQAVQBDJOAYQPO-UHFFFAOYSA-N 1 2 296.330 2.167 10 0 CEAELO Cn1cc[nH+]c1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000584648002 344972980 /nfs/dbraw/zinc/97/29/80/344972980.db2.gz SXFBRUGZMJPMMA-NSHDSACASA-N 1 2 265.357 2.220 10 0 CEAELO CCCn1cc[nH+]c1[C@@H](NN)c1cccc(OCC)c1 ZINC000097480705 185614242 /nfs/dbraw/zinc/61/42/42/185614242.db2.gz GFTLACAGQXIWRY-AWEZNQCLSA-N 1 2 274.368 2.245 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)Oc1cc(C)ccc1F)C(=O)OC ZINC000085560562 179094535 /nfs/dbraw/zinc/09/45/35/179094535.db2.gz PTBXWDASODCJLM-ABAIWWIYSA-N 1 2 283.343 2.443 10 0 CEAELO COC(=O)c1cccnc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000599626004 346547934 /nfs/dbraw/zinc/54/79/34/346547934.db2.gz CHODTHAGZULPFJ-JTQLQIEISA-N 1 2 284.306 2.488 10 0 CEAELO COC(=O)c1cccnc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000599626004 346547938 /nfs/dbraw/zinc/54/79/38/346547938.db2.gz CHODTHAGZULPFJ-JTQLQIEISA-N 1 2 284.306 2.488 10 0 CEAELO CCC[NH+]1CCN(c2nc3c(s2)CCCC3=O)CC1 ZINC000086441283 179293108 /nfs/dbraw/zinc/29/31/08/179293108.db2.gz YPJHPFTXEXDYAS-UHFFFAOYSA-N 1 2 279.409 2.194 10 0 CEAELO CCOC(=O)[C@H](CCSc1nc(C)c(C)c(C)n1)[NH2+]C ZINC000086644965 179316300 /nfs/dbraw/zinc/31/63/00/179316300.db2.gz CFKQJCMTLTUKIU-LBPRGKRZSA-N 1 2 297.424 2.035 10 0 CEAELO CCCC(CCC)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000125785401 282602916 /nfs/dbraw/zinc/60/29/16/282602916.db2.gz PLFZDRYZGKSZLQ-ZBFHGGJFSA-N 1 2 296.455 2.382 10 0 CEAELO Cc1cc(NN)[nH+]c(COC2CCC(C)CC2)n1 ZINC000087735904 179479720 /nfs/dbraw/zinc/47/97/20/179479720.db2.gz LBXRVOUDEZNIHI-UHFFFAOYSA-N 1 2 250.346 2.166 10 0 CEAELO Nc1ccc([C@H]2COCC[N@@H+]2Cc2ccccc2)cn1 ZINC000616639879 348544112 /nfs/dbraw/zinc/54/41/12/348544112.db2.gz RKQITCYNCUELMI-OAHLLOKOSA-N 1 2 269.348 2.068 10 0 CEAELO Nc1ccc([C@H]2COCC[N@H+]2Cc2ccccc2)cn1 ZINC000616639879 348544116 /nfs/dbraw/zinc/54/41/16/348544116.db2.gz RKQITCYNCUELMI-OAHLLOKOSA-N 1 2 269.348 2.068 10 0 CEAELO CC(C)(C)OC(=O)N1CCCOC[C@H]1c1ccc(N)[nH+]c1 ZINC000616648031 348546102 /nfs/dbraw/zinc/54/61/02/348546102.db2.gz RZWBXFWXRGPLNS-LBPRGKRZSA-N 1 2 293.367 2.193 10 0 CEAELO CCC[C@H](COC)Nc1nc[nH+]c2cc(N)ccc21 ZINC000087821490 179493170 /nfs/dbraw/zinc/49/31/70/179493170.db2.gz FMAUMNFCPCEOKC-LLVKDONJSA-N 1 2 260.341 2.439 10 0 CEAELO c1ccc(C[N@@H+]2CCO[C@@H](Nc3ccccn3)C2)cc1 ZINC000616604171 348531947 /nfs/dbraw/zinc/53/19/47/348531947.db2.gz RGTWTUPSDICLHR-MRXNPFEDSA-N 1 2 269.348 2.352 10 0 CEAELO c1ccc(C[N@H+]2CCO[C@@H](Nc3ccccn3)C2)cc1 ZINC000616604171 348531949 /nfs/dbraw/zinc/53/19/49/348531949.db2.gz RGTWTUPSDICLHR-MRXNPFEDSA-N 1 2 269.348 2.352 10 0 CEAELO O=S(=O)(c1ccccc1)N1CCCC[C@@H]1c1c[nH+]c[nH]1 ZINC000616615940 348534875 /nfs/dbraw/zinc/53/48/75/348534875.db2.gz YPNPSYHSMLUSMM-CQSZACIVSA-N 1 2 291.376 2.326 10 0 CEAELO O=S(=O)(c1ccccc1)N1CCCC[C@@H]1c1c[nH]c[nH+]1 ZINC000616615940 348534877 /nfs/dbraw/zinc/53/48/77/348534877.db2.gz YPNPSYHSMLUSMM-CQSZACIVSA-N 1 2 291.376 2.326 10 0 CEAELO CC(=O)N1CC[C@@H](c2ccc(N)[nH+]c2)c2ccccc21 ZINC000616675966 348557226 /nfs/dbraw/zinc/55/72/26/348557226.db2.gz VASZHWQXKYNOLW-ZDUSSCGKSA-N 1 2 267.332 2.383 10 0 CEAELO CCN1C[C@@H](c2ccc(N)[nH+]c2)Nc2ccccc21 ZINC000616680289 348558928 /nfs/dbraw/zinc/55/89/28/348558928.db2.gz APEOQTHGIOLAMO-ZDUSSCGKSA-N 1 2 254.337 2.487 10 0 CEAELO COC(=O)N1c2ccccc2NC[C@H]1c1c[nH+]c[nH]1 ZINC000616686114 348560981 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ZINC000224856885 370282752 /nfs/dbraw/zinc/28/27/52/370282752.db2.gz AMPYFPZTQHCHDH-UHFFFAOYSA-N 1 2 259.309 2.200 10 0 CEAELO CN(CCC(F)(F)F)c1nc[nH+]c(N)c1Cl ZINC000234269286 370532191 /nfs/dbraw/zinc/53/21/91/370532191.db2.gz HIPMDUWDYCHLKA-UHFFFAOYSA-N 1 2 254.643 2.101 10 0 CEAELO CN(CCC(F)(F)F)c1[nH+]cnc(N)c1Cl ZINC000234269286 370532195 /nfs/dbraw/zinc/53/21/95/370532195.db2.gz HIPMDUWDYCHLKA-UHFFFAOYSA-N 1 2 254.643 2.101 10 0 CEAELO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)COC(C)(C)C)o1 ZINC000247214888 371077096 /nfs/dbraw/zinc/07/70/96/371077096.db2.gz UWVRBWYWGXORAL-KGLIPLIRSA-N 1 2 297.395 2.137 10 0 CEAELO Cc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)COC(C)(C)C)o1 ZINC000247214888 371077101 /nfs/dbraw/zinc/07/71/01/371077101.db2.gz UWVRBWYWGXORAL-KGLIPLIRSA-N 1 2 297.395 2.137 10 0 CEAELO C[C@@H](CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC000248519492 371205250 /nfs/dbraw/zinc/20/52/50/371205250.db2.gz AZQQGHRUCLOOAT-QLFBSQMISA-N 1 2 296.455 2.286 10 0 CEAELO 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254.337 2.177 10 0 CEAELO CC(=O)NCCCN(C)c1ccc2ccccc2[nH+]1 ZINC000301297710 379250902 /nfs/dbraw/zinc/25/09/02/379250902.db2.gz SPLQNELEVOFUOY-UHFFFAOYSA-N 1 2 257.337 2.197 10 0 CEAELO CCOC(=O)[C@@H](CC)N1CCCc2cc([NH3+])ccc21 ZINC000084104234 535457672 /nfs/dbraw/zinc/45/76/72/535457672.db2.gz ZTBTWZMOLKHUEF-CYBMUJFWSA-N 1 2 262.353 2.363 10 0 CEAELO CCC[C@@H]1C[C@H]1Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000267600910 190340421 /nfs/dbraw/zinc/34/04/21/190340421.db2.gz FMJBTDYOPDABQS-JHJVBQTASA-N 1 2 276.384 2.038 10 0 CEAELO CCC[C@@H]1C[C@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000267600910 190340422 /nfs/dbraw/zinc/34/04/22/190340422.db2.gz FMJBTDYOPDABQS-JHJVBQTASA-N 1 2 276.384 2.038 10 0 CEAELO CC(C)(C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000081560587 177819004 /nfs/dbraw/zinc/81/90/04/177819004.db2.gz FOSYDATVMIHGLW-NSHDSACASA-N 1 2 251.374 2.460 10 0 CEAELO CC1(C)Cc2cccc(-c3nccc(NN)[nH+]3)c2O1 ZINC000080508089 177660386 /nfs/dbraw/zinc/66/03/86/177660386.db2.gz KELOBNBYCCGWPP-UHFFFAOYSA-N 1 2 256.309 2.143 10 0 CEAELO C[C@@H]1C[NH+](Cc2nc3ccc(N)cc3o2)C[C@@H](C)O1 ZINC000094541892 184815095 /nfs/dbraw/zinc/81/50/95/184815095.db2.gz PVSKJJNRRWKTLX-NXEZZACHSA-N 1 2 261.325 2.019 10 0 CEAELO C[C@H]1C[C@H](C)CN(c2nc(N)[nH+]cc2Br)C1 ZINC000087805639 135051263 /nfs/dbraw/zinc/05/12/63/135051263.db2.gz UVBWAXNHPHTOJE-YUMQZZPRSA-N 1 2 285.189 2.304 10 0 CEAELO Brc1cccnc1N1CCn2cc[nH+]c2C1 ZINC000062330390 394570198 /nfs/dbraw/zinc/57/01/98/394570198.db2.gz FHNZCGFUVPXOFO-UHFFFAOYSA-N 1 2 279.141 2.061 10 0 CEAELO COCCCN(C)c1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000110308213 394736589 /nfs/dbraw/zinc/73/65/89/394736589.db2.gz RCWFCVVIKBZFHN-ZDUSSCGKSA-N 1 2 278.400 2.186 10 0 CEAELO COCCCN(C)c1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000110308213 394736592 /nfs/dbraw/zinc/73/65/92/394736592.db2.gz RCWFCVVIKBZFHN-ZDUSSCGKSA-N 1 2 278.400 2.186 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N(C)C(C)C)C2 ZINC000190725039 395343393 /nfs/dbraw/zinc/34/33/93/395343393.db2.gz UUPVVRASWZPAEY-UHFFFAOYSA-N 1 2 278.400 2.362 10 0 CEAELO CCn1c(C)nnc1C[NH+]1CCC(OCC(C)C)CC1 ZINC000195097948 395459300 /nfs/dbraw/zinc/45/93/00/395459300.db2.gz QEHDHFQXXBJDFL-UHFFFAOYSA-N 1 2 280.416 2.243 10 0 CEAELO Cc1cncc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000189885342 153109849 /nfs/dbraw/zinc/10/98/49/153109849.db2.gz GTAMUOJOTRGVGC-CYBMUJFWSA-N 1 2 275.377 2.420 10 0 CEAELO Cc1cncc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000189885342 153109854 /nfs/dbraw/zinc/10/98/54/153109854.db2.gz GTAMUOJOTRGVGC-CYBMUJFWSA-N 1 2 275.377 2.420 10 0 CEAELO CCc1nnc(C[N@H+](C)CCOc2ccc(C)cc2)n1C ZINC000195038772 153269683 /nfs/dbraw/zinc/26/96/83/153269683.db2.gz IHBUTVUEPAUBLJ-UHFFFAOYSA-N 1 2 288.395 2.197 10 0 CEAELO CCc1nnc(C[N@@H+](C)CCOc2ccc(C)cc2)n1C ZINC000195038772 153269687 /nfs/dbraw/zinc/26/96/87/153269687.db2.gz IHBUTVUEPAUBLJ-UHFFFAOYSA-N 1 2 288.395 2.197 10 0 CEAELO CC(C)n1nnnc1C[N@H+](C)CCCOc1ccccc1 ZINC000195072062 153277493 /nfs/dbraw/zinc/27/74/93/153277493.db2.gz JLDRWKGYKDGCDX-UHFFFAOYSA-N 1 2 289.383 2.155 10 0 CEAELO CC(C)n1nnnc1C[N@@H+](C)CCCOc1ccccc1 ZINC000195072062 153277498 /nfs/dbraw/zinc/27/74/98/153277498.db2.gz JLDRWKGYKDGCDX-UHFFFAOYSA-N 1 2 289.383 2.155 10 0 CEAELO FC(F)(F)COCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507187 153293610 /nfs/dbraw/zinc/29/36/10/153293610.db2.gz CEGMHSHXINEFII-UHFFFAOYSA-N 1 2 277.290 2.168 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2)o1 ZINC000220913304 153307380 /nfs/dbraw/zinc/30/73/80/153307380.db2.gz FWNMNHCJFMYVPO-LLVKDONJSA-N 1 2 259.309 2.272 10 0 CEAELO CCC(CC)(CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)SC ZINC000262972165 154003689 /nfs/dbraw/zinc/00/36/89/154003689.db2.gz LYVXCOTUAFXUTL-SECBINFHSA-N 1 2 280.384 2.022 10 0 CEAELO COC(=O)[C@@]12CCC[C@H]1CN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000302194430 154189548 /nfs/dbraw/zinc/18/95/48/154189548.db2.gz SBSCCPNKQWMYPK-BLLLJJGKSA-N 1 2 287.363 2.134 10 0 CEAELO O=C(Nc1cccc(Cl)c1F)[C@H]1CSC[NH2+]1 ZINC000020472619 171215536 /nfs/dbraw/zinc/21/55/36/171215536.db2.gz OWLLTXYMRRCHRA-MRVPVSSYSA-N 1 2 260.721 2.080 10 0 CEAELO Cc1c(Cl)cc(C(=O)N2CC[NH+](C)CC2)c(F)c1F ZINC000021266612 171300504 /nfs/dbraw/zinc/30/05/04/171300504.db2.gz CQMQYVFXPVARQD-UHFFFAOYSA-N 1 2 288.725 2.314 10 0 CEAELO Cc1cc(N(C)CCC(N)=S)nc(C(C)C)[nH+]1 ZINC000035663808 172342484 /nfs/dbraw/zinc/34/24/84/172342484.db2.gz DVLDWMNWLZGVMZ-UHFFFAOYSA-N 1 2 252.387 2.021 10 0 CEAELO COC(=O)c1occc1CSc1ccc(N)[nH+]c1 ZINC000037192233 173021358 /nfs/dbraw/zinc/02/13/58/173021358.db2.gz VSWQFMFHULNIBV-UHFFFAOYSA-N 1 2 264.306 2.336 10 0 CEAELO CC[NH+](CC)CCn1c(C)[nH+]c2cc(C(=O)[O-])ccc21 ZINC000037309503 173112756 /nfs/dbraw/zinc/11/27/56/173112756.db2.gz HAIDYVKWVRULIM-UHFFFAOYSA-N 1 2 275.352 2.385 10 0 CEAELO C[NH+](C)CC(C)(C)CNCc1nc(=O)c2sccc2[nH]1 ZINC000037328659 173129629 /nfs/dbraw/zinc/12/96/29/173129629.db2.gz OOGMMKWCPFYZDH-UHFFFAOYSA-N 1 2 294.424 2.074 10 0 CEAELO Cc1noc(C[NH2+]Cc2ccccc2N2CCCC2)n1 ZINC000038034083 174031935 /nfs/dbraw/zinc/03/19/35/174031935.db2.gz JDPYBAJDZHKREO-UHFFFAOYSA-N 1 2 272.352 2.268 10 0 CEAELO Cc1noc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000038034231 174032942 /nfs/dbraw/zinc/03/29/42/174032942.db2.gz NVXNOMOOBFLJIP-OAHLLOKOSA-N 1 2 286.379 2.132 10 0 CEAELO Cc1cc(Nc2nc[nH+]c(NCc3ccco3)c2N)no1 ZINC000040680969 174375523 /nfs/dbraw/zinc/37/55/23/174375523.db2.gz OOFLRGDGUDVHPK-UHFFFAOYSA-N 1 2 286.295 2.304 10 0 CEAELO COCCNc1nc[nH+]c(N(CC(C)C)CC(C)C)c1N ZINC000040735724 174389188 /nfs/dbraw/zinc/38/91/88/174389188.db2.gz DEEJGCLCTLBUPS-UHFFFAOYSA-N 1 2 295.431 2.236 10 0 CEAELO Cc1ccc(C(N)=S)c(N(C)Cc2ccncc2)[nH+]1 ZINC000043396688 175036271 /nfs/dbraw/zinc/03/62/71/175036271.db2.gz ZSVGUQWUECGTFG-UHFFFAOYSA-N 1 2 272.377 2.056 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1nccs1 ZINC000045172238 175321835 /nfs/dbraw/zinc/32/18/35/175321835.db2.gz FFFQPGMDMPQRRO-MRVPVSSYSA-N 1 2 250.371 2.344 10 0 CEAELO CC[NH2+][C@@](C)(CN(CC)c1cccc(F)c1)C(=O)OC ZINC000045275398 175345511 /nfs/dbraw/zinc/34/55/11/175345511.db2.gz NRCAQAICLPLCII-HNNXBMFYSA-N 1 2 282.359 2.193 10 0 CEAELO CC[NH2+][C@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277340 175347395 /nfs/dbraw/zinc/34/73/95/175347395.db2.gz KYVADACBSXFMBD-UKRRQHHQSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277340 175347397 /nfs/dbraw/zinc/34/73/97/175347397.db2.gz KYVADACBSXFMBD-UKRRQHHQSA-N 1 2 268.401 2.094 10 0 CEAELO CCC(CC)C[N@H+](CC)C[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045277760 175347466 /nfs/dbraw/zinc/34/74/66/175347466.db2.gz FQWMZKJKBVWKPX-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CCC(CC)C[N@@H+](CC)C[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045277760 175347467 /nfs/dbraw/zinc/34/74/67/175347467.db2.gz FQWMZKJKBVWKPX-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CC[NH2+][C@H](CN(CC)c1cccc(F)c1)C(=O)OCC ZINC000045421292 175379713 /nfs/dbraw/zinc/37/97/13/175379713.db2.gz TXICPGQJYBCYCL-CQSZACIVSA-N 1 2 282.359 2.193 10 0 CEAELO C[C@@H](CNC(=O)c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000046269827 175394885 /nfs/dbraw/zinc/39/48/85/175394885.db2.gz QOUNHJORBHZZEO-AWEZNQCLSA-N 1 2 298.386 2.290 10 0 CEAELO CNC(=O)c1ccc(N[C@H](C)c2[nH+]ccn2C)c(C)c1 ZINC000070444759 175936881 /nfs/dbraw/zinc/93/68/81/175936881.db2.gz OLOQLWMUQUEJHT-LLVKDONJSA-N 1 2 272.352 2.261 10 0 CEAELO CCOC(=O)[C@H](COc1cc(F)ccc1F)[NH2+]C(C)C ZINC000071168413 176049263 /nfs/dbraw/zinc/04/92/63/176049263.db2.gz PILGNRLKQHLFTC-LBPRGKRZSA-N 1 2 287.306 2.273 10 0 CEAELO CCOC(=O)[C@@](C)(CCOc1cc(F)ccc1F)[NH2+]C ZINC000071168546 176049997 /nfs/dbraw/zinc/04/99/97/176049997.db2.gz AGACSAHLDNIWDH-CQSZACIVSA-N 1 2 287.306 2.275 10 0 CEAELO CC[C@H]1COCC[N@@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265836 176099196 /nfs/dbraw/zinc/09/91/96/176099196.db2.gz BNKOQVJZSIFWEP-LBPRGKRZSA-N 1 2 282.384 2.071 10 0 CEAELO CC[C@H]1COCC[N@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265836 176099198 /nfs/dbraw/zinc/09/91/98/176099198.db2.gz BNKOQVJZSIFWEP-LBPRGKRZSA-N 1 2 282.384 2.071 10 0 CEAELO CC[NH2+][C@](C)(CSc1ccc(Cl)cn1)C(=O)OC ZINC000079447807 177491688 /nfs/dbraw/zinc/49/16/88/177491688.db2.gz WAGPJEKUUWHGBR-GFCCVEGCSA-N 1 2 288.800 2.368 10 0 CEAELO O[C@@H](COCc1ccccc1)C[N@@H+]1CCCC(F)(F)C1 ZINC000405110697 419402088 /nfs/dbraw/zinc/40/20/88/419402088.db2.gz NFXJGZCELGTDQH-CQSZACIVSA-N 1 2 285.334 2.295 10 0 CEAELO O[C@@H](COCc1ccccc1)C[N@H+]1CCCC(F)(F)C1 ZINC000405110697 419402095 /nfs/dbraw/zinc/40/20/95/419402095.db2.gz NFXJGZCELGTDQH-CQSZACIVSA-N 1 2 285.334 2.295 10 0 CEAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000252370418 280244817 /nfs/dbraw/zinc/24/48/17/280244817.db2.gz XVPKGYNNLRBFAQ-APIJFGDWSA-N 1 2 282.428 2.275 10 0 CEAELO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@@](C)(O)CC)n1 ZINC000249428444 280396806 /nfs/dbraw/zinc/39/68/06/280396806.db2.gz YPGFCHUXUYXNDT-GWCFXTLKSA-N 1 2 287.429 2.477 10 0 CEAELO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@@](C)(O)CC)n1 ZINC000249428444 280396807 /nfs/dbraw/zinc/39/68/07/280396807.db2.gz YPGFCHUXUYXNDT-GWCFXTLKSA-N 1 2 287.429 2.477 10 0 CEAELO CCOC(=O)c1csc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)n1 ZINC000432785234 281339959 /nfs/dbraw/zinc/33/99/59/281339959.db2.gz SFDGKPFSYJMZTQ-ONGXEEELSA-N 1 2 266.366 2.304 10 0 CEAELO CCOC(=O)c1csc(C[N@H+]2C[C@@H]3CCC[C@@H]32)n1 ZINC000432785234 281339965 /nfs/dbraw/zinc/33/99/65/281339965.db2.gz SFDGKPFSYJMZTQ-ONGXEEELSA-N 1 2 266.366 2.304 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cc(F)cc2c1OCOC2 ZINC000172667977 288375384 /nfs/dbraw/zinc/37/53/84/288375384.db2.gz MUSLXHRHSUUNLH-GHMZBOCLSA-N 1 2 281.327 2.301 10 0 CEAELO CC[NH2+][C@H](CCN(C)c1ccccc1)C(=O)OCC ZINC000062440621 520186409 /nfs/dbraw/zinc/18/64/09/520186409.db2.gz WOVYOMFHKPZQFX-CQSZACIVSA-N 1 2 264.369 2.054 10 0 CEAELO CCCNc1snnc1C[N@H+](CCO)C1CCCCC1 ZINC000050816360 520202497 /nfs/dbraw/zinc/20/24/97/520202497.db2.gz UCYVZKOWEZAGNU-UHFFFAOYSA-N 1 2 298.456 2.487 10 0 CEAELO CCCNc1snnc1C[N@@H+](CCO)C1CCCCC1 ZINC000050816360 520202505 /nfs/dbraw/zinc/20/25/05/520202505.db2.gz UCYVZKOWEZAGNU-UHFFFAOYSA-N 1 2 298.456 2.487 10 0 CEAELO CCOC(=O)[C@H](CCOC1CCC(C)CC1)[NH2+]C ZINC000062544189 521247319 /nfs/dbraw/zinc/24/73/19/521247319.db2.gz XVRPFHKRZVZJTA-BPCQOVAHSA-N 1 2 257.374 2.123 10 0 CEAELO CCC(CC)[N@H+](C)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069099450 521543047 /nfs/dbraw/zinc/54/30/47/521543047.db2.gz JXIVHSUFHWSDJX-HNNXBMFYSA-N 1 2 268.401 2.092 10 0 CEAELO CCC(CC)[N@@H+](C)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069099450 521543049 /nfs/dbraw/zinc/54/30/49/521543049.db2.gz JXIVHSUFHWSDJX-HNNXBMFYSA-N 1 2 268.401 2.092 10 0 CEAELO CCCN(c1nc(Cl)nc(-n2cc[nH+]c2)n1)C(C)C ZINC000061537071 521697830 /nfs/dbraw/zinc/69/78/30/521697830.db2.gz YVRJRIXCNPNUDO-UHFFFAOYSA-N 1 2 280.763 2.336 10 0 CEAELO COC(=O)c1ccc(F)cc1NCc1c[nH]c(C)[nH+]1 ZINC000054822105 522076489 /nfs/dbraw/zinc/07/64/89/522076489.db2.gz QXMAYIMECMCUQX-UHFFFAOYSA-N 1 2 263.272 2.256 10 0 CEAELO COC(=O)c1cc(C[NH+]2[C@H](C)COC[C@H]2C)cs1 ZINC000411286532 533806534 /nfs/dbraw/zinc/80/65/34/533806534.db2.gz WBZANAAYRRQLFW-NXEZZACHSA-N 1 2 269.366 2.144 10 0 CEAELO CCC1=NN(c2ccc(F)cc2)C(=O)[C@H]1CCC[NH3+] ZINC000069506807 519849165 /nfs/dbraw/zinc/84/91/65/519849165.db2.gz SGQDRSHSNBZASK-LBPRGKRZSA-N 1 2 263.316 2.293 10 0 CEAELO CCc1[nH]n(C2CCCCCC2)c(=O)c1CC[NH3+] ZINC000069506615 519849363 /nfs/dbraw/zinc/84/93/63/519849363.db2.gz IDVPZDLDZJJHJV-LBPRGKRZSA-N 1 2 251.374 2.282 10 0 CEAELO CCCNC(=O)c1sc(C[NH+]2CCCC2)nc1C ZINC000049666533 519906154 /nfs/dbraw/zinc/90/61/54/519906154.db2.gz HLFGQLSJUMEJGY-UHFFFAOYSA-N 1 2 267.398 2.187 10 0 CEAELO CCC[NH2+][C@H](CCOc1ccccc1)C(=O)OCC ZINC000062550057 520078457 /nfs/dbraw/zinc/07/84/57/520078457.db2.gz ZNEZGZSAXLQPBL-CQSZACIVSA-N 1 2 265.353 2.387 10 0 CEAELO CC[NH2+][C@@H](c1nnc([C@H]2CCOC2)o1)c1ccccc1 ZINC000050618141 520113772 /nfs/dbraw/zinc/11/37/72/520113772.db2.gz ZDVGLJOIOBSTIV-QWHCGFSZSA-N 1 2 273.336 2.272 10 0 CEAELO CC[NH2+][C@@](COc1ccccc1F)(C(=O)OC)C1CC1 ZINC000069197244 520159006 /nfs/dbraw/zinc/15/90/06/520159006.db2.gz CTECKBRFMZGPBY-OAHLLOKOSA-N 1 2 281.327 2.136 10 0 CEAELO CC[NH2+][C@H](CCN1c2ccccc2CC[C@@H]1C)C(=O)OC ZINC000062436803 520190769 /nfs/dbraw/zinc/19/07/69/520190769.db2.gz CCCXKYRZQGNDIB-DZGCQCFKSA-N 1 2 290.407 2.369 10 0 CEAELO CC[NH2+][C@H](CCSc1nc(C)cc(C)n1)C(=O)OCC ZINC000062602992 520194702 /nfs/dbraw/zinc/19/47/02/520194702.db2.gz NJYHNASKNJXOBE-GFCCVEGCSA-N 1 2 297.424 2.117 10 0 CEAELO CCCO[C@H]1CCCN(c2cc[nH+]c(C(N)=S)c2)C1 ZINC000061813054 520287505 /nfs/dbraw/zinc/28/75/05/520287505.db2.gz CFYRCFVLYKGBQS-LBPRGKRZSA-N 1 2 279.409 2.111 10 0 CEAELO O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000174759686 534506666 /nfs/dbraw/zinc/50/66/66/534506666.db2.gz DUILOKAXVJZBSV-MNOVXSKESA-N 1 2 291.301 2.150 10 0 CEAELO CC1CCC([N@H+](C)C[C@@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069146429 520935381 /nfs/dbraw/zinc/93/53/81/520935381.db2.gz GJCWSXXFWWSJDW-QOJXUVEWSA-N 1 2 294.439 2.482 10 0 CEAELO CC1CCC([N@@H+](C)C[C@@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069146429 520935387 /nfs/dbraw/zinc/93/53/87/520935387.db2.gz GJCWSXXFWWSJDW-QOJXUVEWSA-N 1 2 294.439 2.482 10 0 CEAELO CCCCSC[C@]([NH2+]CC)(C(=O)OC)C1CC1 ZINC000069184198 520957555 /nfs/dbraw/zinc/95/75/55/520957555.db2.gz WXQFHCKMCDRODT-CYBMUJFWSA-N 1 2 259.415 2.451 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccccc1CC)[NH2+]C ZINC000062594599 521061893 /nfs/dbraw/zinc/06/18/93/521061893.db2.gz AJCWQVFXEYAWLT-CYBMUJFWSA-N 1 2 265.353 2.169 10 0 CEAELO CCOC(=O)[C@@](C)(COc1cc(C)ccc1C)[NH2+]C ZINC000045515213 521147390 /nfs/dbraw/zinc/14/73/90/521147390.db2.gz OXGGKUFWKKABLF-OAHLLOKOSA-N 1 2 265.353 2.223 10 0 CEAELO CCOC(=O)[C@H](CCSC1CCOCC1)[NH2+]C(C)C ZINC000062605271 521247679 /nfs/dbraw/zinc/24/76/79/521247679.db2.gz GTLXDBDAIQVBJY-ZDUSSCGKSA-N 1 2 289.441 2.218 10 0 CEAELO CCOC(=O)[C@H](CCSc1ccccc1)[NH2+]C ZINC000062597918 521249520 /nfs/dbraw/zinc/24/95/20/521249520.db2.gz GAYSXRZIUUZOPO-LBPRGKRZSA-N 1 2 253.367 2.320 10 0 CEAELO CCCc1nc([C@H]([NH3+])c2cc(F)c(F)c(F)c2)no1 ZINC000062720009 521536551 /nfs/dbraw/zinc/53/65/51/521536551.db2.gz VTAFEONLMNTZHQ-LLVKDONJSA-N 1 2 271.242 2.488 10 0 CEAELO CCCN(CC[NH+](C)C)c1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054552175 521658835 /nfs/dbraw/zinc/65/88/35/521658835.db2.gz BPMIAAGPYZKALV-UHFFFAOYSA-N 1 2 291.395 2.047 10 0 CEAELO COc1cc(-c2n[nH]c([C@@H](C)[NH3+])n2)cc(Cl)c1OC ZINC000061843995 521912219 /nfs/dbraw/zinc/91/22/19/521912219.db2.gz YEVDHSUADUYWFF-ZCFIWIBFSA-N 1 2 282.731 2.162 10 0 CEAELO COC(=O)c1ccc(F)cc1NCc1c[nH+]c(C)[nH]1 ZINC000054822105 522076481 /nfs/dbraw/zinc/07/64/81/522076481.db2.gz QXMAYIMECMCUQX-UHFFFAOYSA-N 1 2 263.272 2.256 10 0 CEAELO C[NH2+][C@@H](CCSc1ccc(F)cc1)C(=O)OC ZINC000062598912 522350678 /nfs/dbraw/zinc/35/06/78/522350678.db2.gz MIUZKYCALCTAFM-NSHDSACASA-N 1 2 257.330 2.069 10 0 CEAELO CNc1ccc(Cn2ccc(=O)c3ccccc32)c[nH+]1 ZINC000050830056 522627602 /nfs/dbraw/zinc/62/76/02/522627602.db2.gz GIEDFAQCJLKAME-UHFFFAOYSA-N 1 2 265.316 2.487 10 0 CEAELO C[N@H+](C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CCCCC1 ZINC000069095798 523086664 /nfs/dbraw/zinc/08/66/64/523086664.db2.gz PWYZJYWIYGGGHC-INIZCTEOSA-N 1 2 280.412 2.236 10 0 CEAELO C[N@@H+](C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CCCCC1 ZINC000069095798 523086674 /nfs/dbraw/zinc/08/66/74/523086674.db2.gz PWYZJYWIYGGGHC-INIZCTEOSA-N 1 2 280.412 2.236 10 0 CEAELO CC[C@H]1C[N@H+](Cc2cc3ccccc3nc2N)CCO1 ZINC000050813680 523287509 /nfs/dbraw/zinc/28/75/09/523287509.db2.gz WGEJJLZCGVIXPJ-AWEZNQCLSA-N 1 2 271.364 2.428 10 0 CEAELO CC[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N)CCO1 ZINC000050813680 523287516 /nfs/dbraw/zinc/28/75/16/523287516.db2.gz WGEJJLZCGVIXPJ-AWEZNQCLSA-N 1 2 271.364 2.428 10 0 CEAELO COC(=O)[C@@H](CCN(C)c1ccc(C)cc1)[NH2+]C(C)C ZINC000062529795 523571884 /nfs/dbraw/zinc/57/18/84/523571884.db2.gz OWXYAGSEKUPJAX-OAHLLOKOSA-N 1 2 278.396 2.361 10 0 CEAELO COC(=O)[C@@H](Cn1cc(-c2ccccc2)cn1)[NH2+]C(C)C ZINC000054961896 523597065 /nfs/dbraw/zinc/59/70/65/523597065.db2.gz 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/nfs/dbraw/zinc/20/61/23/526206123.db2.gz DQXORFTVQOUOBH-LLVKDONJSA-N 1 2 253.367 2.004 10 0 CEAELO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](O)C2)c(C)s1 ZINC000049136834 526206127 /nfs/dbraw/zinc/20/61/27/526206127.db2.gz DQXORFTVQOUOBH-LLVKDONJSA-N 1 2 253.367 2.004 10 0 CEAELO Cc1[nH+]c(-c2ccc3c(c2)OCCO3)nc(N)c1C ZINC000050867495 526580298 /nfs/dbraw/zinc/58/02/98/526580298.db2.gz AEAWZGBTWKHEHS-UHFFFAOYSA-N 1 2 257.293 2.114 10 0 CEAELO O=S(=O)(Nc1ccc2c(c1)C[NH2+]CC2)c1cccs1 ZINC000069052785 527250041 /nfs/dbraw/zinc/25/00/41/527250041.db2.gz HOCKRGCZLIBQTK-UHFFFAOYSA-N 1 2 294.401 2.195 10 0 CEAELO Nc1cc(CN2C(=O)CCc3ccc(F)cc32)cc[nH+]1 ZINC000052732682 527448702 /nfs/dbraw/zinc/44/87/02/527448702.db2.gz UHRLRANFBWJYEO-UHFFFAOYSA-N 1 2 271.295 2.282 10 0 CEAELO CCCCc1noc(C[S@](=O)Cc2[nH+]ccn2CC)n1 ZINC000176831358 529061451 /nfs/dbraw/zinc/06/14/51/529061451.db2.gz WIHNGGMKCGCTMV-HXUWFJFHSA-N 1 2 296.396 2.078 10 0 CEAELO Cc1cc(Br)cn2c([C@@H](C)O)c[nH+]c12 ZINC000082693490 178187435 /nfs/dbraw/zinc/18/74/35/178187435.db2.gz HVLRVBILEWMIJZ-SSDOTTSWSA-N 1 2 255.115 2.459 10 0 CEAELO CCCCOC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121817865 365619140 /nfs/dbraw/zinc/61/91/40/365619140.db2.gz NHDUAXXVSGKIRW-CYBMUJFWSA-N 1 2 265.357 2.280 10 0 CEAELO CCCCOC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121817865 365619145 /nfs/dbraw/zinc/61/91/45/365619145.db2.gz NHDUAXXVSGKIRW-CYBMUJFWSA-N 1 2 265.357 2.280 10 0 CEAELO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1OCCc2ccccc21 ZINC000096609906 185108185 /nfs/dbraw/zinc/10/81/85/185108185.db2.gz BLWOUWXCQNVALJ-HZPDHXFCSA-N 1 2 289.375 2.328 10 0 CEAELO COC(=O)[C@H]1CCCC[N@H+]1C[C@H]1OCCc2ccccc21 ZINC000096609906 185108186 /nfs/dbraw/zinc/10/81/86/185108186.db2.gz BLWOUWXCQNVALJ-HZPDHXFCSA-N 1 2 289.375 2.328 10 0 CEAELO [NH3+][C@H](c1ncon1)c1ccc(F)c(Br)c1 ZINC000036761987 343424548 /nfs/dbraw/zinc/42/45/48/343424548.db2.gz UQSZAAYUDDQJFT-QMMMGPOBSA-N 1 2 272.077 2.019 10 0 CEAELO OCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000049868583 362381512 /nfs/dbraw/zinc/38/15/12/362381512.db2.gz HMSZCGYHVDSIIK-UHFFFAOYSA-N 1 2 275.179 2.108 10 0 CEAELO Cc1nc(NCc2c[nH+]c[nH]2)ccc1Br ZINC000235952851 344593727 /nfs/dbraw/zinc/59/37/27/344593727.db2.gz JWTOUHMKNIYKDF-UHFFFAOYSA-N 1 2 267.130 2.488 10 0 CEAELO CC[C@@H](C)N(C)c1nc[nH+]c(N)c1Br ZINC000233866386 344582178 /nfs/dbraw/zinc/58/21/78/344582178.db2.gz XELSUCNWXZVEKC-ZCFIWIBFSA-N 1 2 259.151 2.056 10 0 CEAELO CC[C@@H](C)N(C)c1[nH+]cnc(N)c1Br ZINC000233866386 344582180 /nfs/dbraw/zinc/58/21/80/344582180.db2.gz XELSUCNWXZVEKC-ZCFIWIBFSA-N 1 2 259.151 2.056 10 0 CEAELO C[C@H](c1ccccc1F)[N@@H+]1CCO[C@H](c2nncn2C)C1 ZINC000328634086 344757149 /nfs/dbraw/zinc/75/71/49/344757149.db2.gz MMJWVYFAZQUUSN-RISCZKNCSA-N 1 2 290.342 2.089 10 0 CEAELO C[C@H](c1ccccc1F)[N@H+]1CCO[C@H](c2nncn2C)C1 ZINC000328634086 344757150 /nfs/dbraw/zinc/75/71/50/344757150.db2.gz MMJWVYFAZQUUSN-RISCZKNCSA-N 1 2 290.342 2.089 10 0 CEAELO C[C@@H](CO)CSCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000097459536 185610131 /nfs/dbraw/zinc/61/01/31/185610131.db2.gz KCHPDMKOWVFIKN-QMMMGPOBSA-N 1 2 251.355 2.007 10 0 CEAELO CCCc1nc(N)c(I)c(CC)[nH+]1 ZINC000085460592 179068924 /nfs/dbraw/zinc/06/89/24/179068924.db2.gz RICRJQDAZDDTII-UHFFFAOYSA-N 1 2 291.136 2.178 10 0 CEAELO Nc1nc(N2CCCC2)[nH+]c(C2CC2)c1Br ZINC000085462777 179069418 /nfs/dbraw/zinc/06/94/18/179069418.db2.gz AOKLLYGGIDESBI-UHFFFAOYSA-N 1 2 283.173 2.299 10 0 CEAELO CC[NH2+][C@@](COc1cc(C)ccc1F)(C(=O)OC)C1CC1 ZINC000085560260 179093603 /nfs/dbraw/zinc/09/36/03/179093603.db2.gz CAZNNLKCPITROS-MRXNPFEDSA-N 1 2 295.354 2.444 10 0 CEAELO CCO[C@H]1C[C@@H]([NH2+]C(C)(C)C(=O)OC)C12CCCC2 ZINC000085679654 179112962 /nfs/dbraw/zinc/11/29/62/179112962.db2.gz RDQGJGHZYPUFGC-NEPJUHHUSA-N 1 2 269.385 2.265 10 0 CEAELO [NH3+][C@@]1(c2nc(Cc3ccc(F)cc3Cl)no2)CCOC1 ZINC000085852251 179188493 /nfs/dbraw/zinc/18/84/93/179188493.db2.gz INBXIEFOGAUIMF-ZDUSSCGKSA-N 1 2 297.717 2.027 10 0 CEAELO Cc1csc(SCc2cc(NN)cc[nH+]2)n1 ZINC000086135794 179236474 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ZINC000616677366 348557518 /nfs/dbraw/zinc/55/75/18/348557518.db2.gz LVKYTXQZSJYYKX-CYBMUJFWSA-N 1 2 257.293 2.124 10 0 CEAELO COC(=O)N1CCc2ccccc2[C@@H]1c1c[nH]c[nH+]1 ZINC000616677366 348557521 /nfs/dbraw/zinc/55/75/21/348557521.db2.gz LVKYTXQZSJYYKX-CYBMUJFWSA-N 1 2 257.293 2.124 10 0 CEAELO COC(=O)N1c2ccccc2NC[C@@H]1c1c[nH+]c[nH]1 ZINC000616691371 348561873 /nfs/dbraw/zinc/56/18/73/348561873.db2.gz IKRNXGRYAZLPSZ-GFCCVEGCSA-N 1 2 258.281 2.149 10 0 CEAELO COC(=O)N1c2ccccc2NC[C@@H]1c1c[nH]c[nH+]1 ZINC000616691371 348561874 /nfs/dbraw/zinc/56/18/74/348561874.db2.gz IKRNXGRYAZLPSZ-GFCCVEGCSA-N 1 2 258.281 2.149 10 0 CEAELO C[C@H](Oc1nc(Cl)nc(-n2cc[nH+]c2)n1)C(F)(F)F ZINC000090672798 180020924 /nfs/dbraw/zinc/02/09/24/180020924.db2.gz QXRRIMNRYWXYQU-YFKPBYRVSA-N 1 2 293.636 2.040 10 0 CEAELO CC[NH2+][C@@](CO[C@@H](C)C(F)(F)F)(C(=O)OCC)C1CC1 ZINC000090674369 180021699 /nfs/dbraw/zinc/02/16/99/180021699.db2.gz VUBUXKSBJKNXDW-JOYOIKCWSA-N 1 2 297.317 2.275 10 0 CEAELO CC[C@@H](C)[C@@H]([NH2+]Cc1ccn(CC)c1)C(=O)OC ZINC000091011636 180086169 /nfs/dbraw/zinc/08/61/69/180086169.db2.gz LUXFOEOEFWBUER-DGCLKSJQSA-N 1 2 252.358 2.185 10 0 CEAELO CC[C@@H](C)[C@H]([NH2+]Cc1c[nH]c2ncccc12)C(=O)OC ZINC000091016685 180087341 /nfs/dbraw/zinc/08/73/41/180087341.db2.gz KHBXSUMGALMZCL-MFKMUULPSA-N 1 2 275.352 2.240 10 0 CEAELO CCOC(=O)[C@H](NCC(F)(F)F)c1c[nH+]cn1C(C)C ZINC000091272841 180117835 /nfs/dbraw/zinc/11/78/35/180117835.db2.gz ABWDRSGPGCMTDW-SNVBAGLBSA-N 1 2 293.289 2.220 10 0 CEAELO CC(C)n1c[nH+]cc1[C@H](O)c1ccc2c(c1)OCCO2 ZINC000091273713 180118130 /nfs/dbraw/zinc/11/81/30/180118130.db2.gz KECFKVMBCUIZMR-OAHLLOKOSA-N 1 2 274.320 2.317 10 0 CEAELO c1[nH+]cn(C2CC2)c1CNc1cccc(-c2nn[nH]n2)c1 ZINC000091275081 180118826 /nfs/dbraw/zinc/11/88/26/180118826.db2.gz XBCQXCBBWADVIY-UHFFFAOYSA-N 1 2 281.323 2.010 10 0 CEAELO c1cn(-c2ccccc2NCc2c[nH+]cn2C2CC2)nn1 ZINC000091274566 180118912 /nfs/dbraw/zinc/11/89/12/180118912.db2.gz IDTYCHIFRUITKG-UHFFFAOYSA-N 1 2 280.335 2.411 10 0 CEAELO O[C@@H](c1c[nH+]cn1C1CC1)c1ccc2c(c1)OCCO2 ZINC000091277527 180119813 /nfs/dbraw/zinc/11/98/13/180119813.db2.gz LEFHNXZJHYUABN-OAHLLOKOSA-N 1 2 272.304 2.071 10 0 CEAELO Cn1c[nH+]cc1COc1cccc2c1CCC[C@H]2O ZINC000091278694 180121145 /nfs/dbraw/zinc/12/11/45/180121145.db2.gz LGBODGNANSGXSD-CQSZACIVSA-N 1 2 258.321 2.369 10 0 CEAELO CC(C)(C(=O)C[C@H]1Cc2ccccc21)[NH+]1CCOCC1 ZINC000091565492 180193534 /nfs/dbraw/zinc/19/35/34/180193534.db2.gz WDNNSFRFDLNJMV-CQSZACIVSA-N 1 2 273.376 2.396 10 0 CEAELO CC(C)([C@@H](O)c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000091565734 180193610 /nfs/dbraw/zinc/19/36/10/180193610.db2.gz GHAZFMWEYQYBJC-ZDUSSCGKSA-N 1 2 271.307 2.109 10 0 CEAELO CC(C)([C@H](O)c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000091565828 180193686 /nfs/dbraw/zinc/19/36/86/180193686.db2.gz DLMGTCJSYGGWJQ-CYBMUJFWSA-N 1 2 269.772 2.484 10 0 CEAELO C[N@@H+]1CCO[C@@H](C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000091688452 180227037 /nfs/dbraw/zinc/22/70/37/180227037.db2.gz OYEBTQYTKLCAIL-CYBMUJFWSA-N 1 2 288.174 2.436 10 0 CEAELO C[N@H+]1CCO[C@@H](C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000091688452 180227038 /nfs/dbraw/zinc/22/70/38/180227038.db2.gz OYEBTQYTKLCAIL-CYBMUJFWSA-N 1 2 288.174 2.436 10 0 CEAELO C[C@H](c1ncnn1-c1ccc(F)cc1F)n1cc[nH+]c1 ZINC000091745443 180244017 /nfs/dbraw/zinc/24/40/17/180244017.db2.gz RKEDJDIOCNSHBP-SECBINFHSA-N 1 2 275.262 2.351 10 0 CEAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(C)on3)C2)c1 ZINC000105900428 186088205 /nfs/dbraw/zinc/08/82/05/186088205.db2.gz HVXIHCLGBJGZAE-AWEZNQCLSA-N 1 2 260.341 2.325 10 0 CEAELO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C)on3)C2)c1 ZINC000105900428 186088206 /nfs/dbraw/zinc/08/82/06/186088206.db2.gz HVXIHCLGBJGZAE-AWEZNQCLSA-N 1 2 260.341 2.325 10 0 CEAELO CCCc1noc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)n1 ZINC000105901138 186088322 /nfs/dbraw/zinc/08/83/22/186088322.db2.gz AFTBQKRZLXEARE-CYBMUJFWSA-N 1 2 289.383 2.364 10 0 CEAELO CCCc1noc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)n1 ZINC000105901138 186088324 /nfs/dbraw/zinc/08/83/24/186088324.db2.gz AFTBQKRZLXEARE-CYBMUJFWSA-N 1 2 289.383 2.364 10 0 CEAELO Cc1cc(NC(=O)CCOc2cccc(N)c2)cc[nH+]1 ZINC000092348512 180367601 /nfs/dbraw/zinc/36/76/01/180367601.db2.gz GAHBUYHQKGFFDB-UHFFFAOYSA-N 1 2 271.320 2.380 10 0 CEAELO Cc1cc(NS(=O)(=O)c2c(F)cc(N)cc2F)cc[nH+]1 ZINC000092348703 180367727 /nfs/dbraw/zinc/36/77/27/180367727.db2.gz FOUHPPNORLDDBH-UHFFFAOYSA-N 1 2 299.302 2.051 10 0 CEAELO Cc1nc2ccccc2n1Cc1cc(NN)cc[nH+]1 ZINC000092425427 180383013 /nfs/dbraw/zinc/38/30/13/180383013.db2.gz HKENWCFDIARRSG-UHFFFAOYSA-N 1 2 253.309 2.074 10 0 CEAELO COCC[NH2+]CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000092493910 180397120 /nfs/dbraw/zinc/39/71/20/180397120.db2.gz DBQLAMCRKFPACB-MGPQQGTHSA-N 1 2 271.401 2.226 10 0 CEAELO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109086909 186243244 /nfs/dbraw/zinc/24/32/44/186243244.db2.gz MEEUEWIMBMSNJE-NWDGAFQWSA-N 1 2 291.301 2.081 10 0 CEAELO c1ccc2c(c1)C[C@H](c1nc(C[NH2+]C3CC3)no1)CO2 ZINC000110540991 186302475 /nfs/dbraw/zinc/30/24/75/186302475.db2.gz UORIWZRYWISPQT-NSHDSACASA-N 1 2 271.320 2.040 10 0 CEAELO CCOc1cc(NCCn2cc[nH+]c2)c(N)cc1F ZINC000110633352 186307265 /nfs/dbraw/zinc/30/72/65/186307265.db2.gz RBNXTIHIUBUJCT-UHFFFAOYSA-N 1 2 264.304 2.115 10 0 CEAELO COc1cc([N@@H+]2CCC[C@H]2CCCO)ccc1N ZINC000111055562 186349065 /nfs/dbraw/zinc/34/90/65/186349065.db2.gz OWBZXTACAVLERJ-NSHDSACASA-N 1 2 250.342 2.019 10 0 CEAELO COc1cc([N@H+]2CCC[C@H]2CCCO)ccc1N ZINC000111055562 186349067 /nfs/dbraw/zinc/34/90/67/186349067.db2.gz OWBZXTACAVLERJ-NSHDSACASA-N 1 2 250.342 2.019 10 0 CEAELO CCCOc1cc(NCCOCCOC)ccc1[NH3+] ZINC000111054341 186347991 /nfs/dbraw/zinc/34/79/91/186347991.db2.gz WXRCOCUPSFYGKX-UHFFFAOYSA-N 1 2 268.357 2.133 10 0 CEAELO Nc1ccc(Sc2nc(N)cc(N)[nH+]2)c(C(F)F)c1 ZINC000111292750 186391268 /nfs/dbraw/zinc/39/12/68/186391268.db2.gz UZWYOACIERUNMB-UHFFFAOYSA-N 1 2 283.307 2.312 10 0 CEAELO Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c(C)[nH+]1 ZINC000152366939 188013592 /nfs/dbraw/zinc/01/35/92/188013592.db2.gz IIDYUKDUASPFKE-OCCSQVGLSA-N 1 2 277.368 2.371 10 0 CEAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000124870141 283024087 /nfs/dbraw/zinc/02/40/87/283024087.db2.gz RTZRDUMISURIKR-ZJIFWQFVSA-N 1 2 294.439 2.040 10 0 CEAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000124870141 283024093 /nfs/dbraw/zinc/02/40/93/283024093.db2.gz RTZRDUMISURIKR-ZJIFWQFVSA-N 1 2 294.439 2.040 10 0 CEAELO [NH3+][C@@H](c1cncs1)c1ncsc1Br ZINC000575501310 366292683 /nfs/dbraw/zinc/29/26/83/366292683.db2.gz XXUPDUYXFZFYEY-YFKPBYRVSA-N 1 2 276.184 2.410 10 0 CEAELO COc1ccccc1[C@H](C)[NH2+]Cc1nnnn1C(C)C ZINC000341054975 215814574 /nfs/dbraw/zinc/81/45/74/215814574.db2.gz GZBFFKUXOHEOTD-NSHDSACASA-N 1 2 275.356 2.113 10 0 CEAELO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccn2)CCN1CCOC ZINC000177132232 189031286 /nfs/dbraw/zinc/03/12/86/189031286.db2.gz MGPYADZNBXWQPH-LSDHHAIUSA-N 1 2 277.412 2.185 10 0 CEAELO CC[C@@H]1C[N@H+]([C@@H](C)c2ccccn2)CCN1CCOC ZINC000177132232 189031287 /nfs/dbraw/zinc/03/12/87/189031287.db2.gz MGPYADZNBXWQPH-LSDHHAIUSA-N 1 2 277.412 2.185 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)c1cccc(C)c1 ZINC000081532719 363727330 /nfs/dbraw/zinc/72/73/30/363727330.db2.gz VFJNJBVWSUWROY-UHFFFAOYSA-N 1 2 264.350 2.185 10 0 CEAELO CC[N@H+](CCc1nccs1)Cc1nnc(C(C)C)n1C ZINC000179039966 189164387 /nfs/dbraw/zinc/16/43/87/189164387.db2.gz MWSBLCHWTOVIGD-UHFFFAOYSA-N 1 2 293.440 2.460 10 0 CEAELO CC[N@@H+](CCc1nccs1)Cc1nnc(C(C)C)n1C ZINC000179039966 189164388 /nfs/dbraw/zinc/16/43/88/189164388.db2.gz MWSBLCHWTOVIGD-UHFFFAOYSA-N 1 2 293.440 2.460 10 0 CEAELO COc1c(C[N@H+](C)Cc2scnc2C)c(C)nn1C ZINC000179428205 189194089 /nfs/dbraw/zinc/19/40/89/189194089.db2.gz TWWDMTRIFGGERL-UHFFFAOYSA-N 1 2 280.397 2.134 10 0 CEAELO COc1c(C[N@@H+](C)Cc2scnc2C)c(C)nn1C ZINC000179428205 189194090 /nfs/dbraw/zinc/19/40/90/189194090.db2.gz TWWDMTRIFGGERL-UHFFFAOYSA-N 1 2 280.397 2.134 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ncc(C)s2)C1 ZINC000180463676 189256803 /nfs/dbraw/zinc/25/68/03/189256803.db2.gz KXFJFQLYNUYKKQ-LBPRGKRZSA-N 1 2 281.425 2.332 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC000180463676 189256804 /nfs/dbraw/zinc/25/68/04/189256804.db2.gz KXFJFQLYNUYKKQ-LBPRGKRZSA-N 1 2 281.425 2.332 10 0 CEAELO CCc1nn(C)cc1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000180008003 542259089 /nfs/dbraw/zinc/25/90/89/542259089.db2.gz UOWRDBRCTHDQDQ-ZDUSSCGKSA-N 1 2 292.408 2.013 10 0 CEAELO CCc1nn(C)cc1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000180008003 542259092 /nfs/dbraw/zinc/25/90/92/542259092.db2.gz UOWRDBRCTHDQDQ-ZDUSSCGKSA-N 1 2 292.408 2.013 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc(O)c1)C2 ZINC000182433816 189323218 /nfs/dbraw/zinc/32/32/18/189323218.db2.gz KZHHOJALWWGRKK-UHFFFAOYSA-N 1 2 299.374 2.448 10 0 CEAELO Cc1nc(N[C@@H](CO)c2ccco2)c2c([nH+]1)CCCC2 ZINC000302121974 201350340 /nfs/dbraw/zinc/35/03/40/201350340.db2.gz YIFLIBQXRQQYRM-ZDUSSCGKSA-N 1 2 273.336 2.402 10 0 CEAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cncc(F)c1 ZINC000090223637 364051008 /nfs/dbraw/zinc/05/10/08/364051008.db2.gz DXRILSBDUKGQHQ-NOZJJQNGSA-N 1 2 275.331 2.306 10 0 CEAELO COc1cc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)ccc1Cl ZINC000335007454 364342730 /nfs/dbraw/zinc/34/27/30/364342730.db2.gz DJHTVWUDNBTEFI-SECBINFHSA-N 1 2 290.697 2.284 10 0 CEAELO CS[C@H](C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112664988 364824191 /nfs/dbraw/zinc/82/41/91/364824191.db2.gz HWPYWNQJBVMWRO-SNVBAGLBSA-N 1 2 281.425 2.180 10 0 CEAELO CCc1nnc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000114483541 364948166 /nfs/dbraw/zinc/94/81/66/364948166.db2.gz GHGSAHTYOBVUFP-LLVKDONJSA-N 1 2 261.329 2.082 10 0 CEAELO CCc1nnc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000114483541 364948168 /nfs/dbraw/zinc/94/81/68/364948168.db2.gz GHGSAHTYOBVUFP-LLVKDONJSA-N 1 2 261.329 2.082 10 0 CEAELO CCC[C@H](C(=O)OCC)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000114802480 364966720 /nfs/dbraw/zinc/96/67/20/364966720.db2.gz XAXRLVRPLVAOBJ-CQSZACIVSA-N 1 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JJRVVTJOZFHRDH-GFCCVEGCSA-N 1 2 270.380 2.497 10 0 CEAELO CCc1nnc(C[N@H+]2CCc3ccccc3[C@H]2C)n1C ZINC000170955339 367451642 /nfs/dbraw/zinc/45/16/42/367451642.db2.gz JJRVVTJOZFHRDH-GFCCVEGCSA-N 1 2 270.380 2.497 10 0 CEAELO Cn1cc([C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)cn1 ZINC000171412254 367536556 /nfs/dbraw/zinc/53/65/56/367536556.db2.gz RGGDDQVYANLLFR-GFCCVEGCSA-N 1 2 289.383 2.438 10 0 CEAELO Cn1cc([C@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)cn1 ZINC000171412254 367536560 /nfs/dbraw/zinc/53/65/60/367536560.db2.gz RGGDDQVYANLLFR-GFCCVEGCSA-N 1 2 289.383 2.438 10 0 CEAELO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000171570743 367569804 /nfs/dbraw/zinc/56/98/04/367569804.db2.gz PUQLMMAAMZYULR-LBPRGKRZSA-N 1 2 287.388 2.450 10 0 CEAELO COC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000173318052 367896586 /nfs/dbraw/zinc/89/65/86/367896586.db2.gz GZNAYGRUTQJPKF-HOTGVXAUSA-N 1 2 299.374 2.471 10 0 CEAELO COC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000173318052 367896592 /nfs/dbraw/zinc/89/65/92/367896592.db2.gz GZNAYGRUTQJPKF-HOTGVXAUSA-N 1 2 299.374 2.471 10 0 CEAELO COC[C@@H](C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173931672 367962258 /nfs/dbraw/zinc/96/22/58/367962258.db2.gz LLOKMHBCWFFWKQ-CHWSQXEVSA-N 1 2 287.363 2.332 10 0 CEAELO CCCS(=O)(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173968248 367967171 /nfs/dbraw/zinc/96/71/71/367967171.db2.gz VOIOHUSTNCQCKC-LBPRGKRZSA-N 1 2 293.392 2.263 10 0 CEAELO C[C@@](O)(CNc1ccc2ccccc2[nH+]1)C(F)(F)F ZINC000346201701 368589442 /nfs/dbraw/zinc/58/94/42/368589442.db2.gz BECDQYXALVQPCI-GFCCVEGCSA-N 1 2 270.254 2.382 10 0 CEAELO Cc1[nH+]c(-c2ccncc2)nc(N(C)CC2CC(O)C2)c1C ZINC000276083186 193208392 /nfs/dbraw/zinc/20/83/92/193208392.db2.gz VBWRIIQXPFYRLI-UHFFFAOYSA-N 1 2 298.390 2.363 10 0 CEAELO COc1cc[nH+]c(CN2CCO[C@@H]3CCCC[C@@H]32)c1OC ZINC000190396894 369620061 /nfs/dbraw/zinc/62/00/61/369620061.db2.gz JMALHCUVIUFJJW-UONOGXRCSA-N 1 2 292.379 2.242 10 0 CEAELO COc1ccnc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1OC ZINC000190396894 369620066 /nfs/dbraw/zinc/62/00/66/369620066.db2.gz JMALHCUVIUFJJW-UONOGXRCSA-N 1 2 292.379 2.242 10 0 CEAELO COc1ccnc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1OC ZINC000190396894 369620071 /nfs/dbraw/zinc/62/00/71/369620071.db2.gz JMALHCUVIUFJJW-UONOGXRCSA-N 1 2 292.379 2.242 10 0 CEAELO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CCCO[C@H]3C)cn21 ZINC000191546464 369723718 /nfs/dbraw/zinc/72/37/18/369723718.db2.gz QLXUJQSWEVMPKU-GXTWGEPZSA-N 1 2 287.363 2.074 10 0 CEAELO CCc1nnc(C[NH+]2CCC(c3ccncc3)CC2)n1C ZINC000191615533 369726541 /nfs/dbraw/zinc/72/65/41/369726541.db2.gz VRYLHYWMGRVHEH-UHFFFAOYSA-N 1 2 285.395 2.152 10 0 CEAELO CCCCOC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000195177663 370111499 /nfs/dbraw/zinc/11/14/99/370111499.db2.gz LIKZWLDDDLAOMQ-HUUCEWRRSA-N 1 2 297.395 2.139 10 0 CEAELO CCCCOC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000195177663 370111505 /nfs/dbraw/zinc/11/15/05/370111505.db2.gz LIKZWLDDDLAOMQ-HUUCEWRRSA-N 1 2 297.395 2.139 10 0 CEAELO C[NH2+]c1ccc(N2CCOCC2)c(Br)c1 ZINC000226275432 370332922 /nfs/dbraw/zinc/33/29/22/370332922.db2.gz GOUIAJZIAOUZIE-UHFFFAOYSA-N 1 2 271.158 2.327 10 0 CEAELO CCn1cc([C@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)cn1 ZINC000248696710 371235957 /nfs/dbraw/zinc/23/59/57/371235957.db2.gz CSDZTVANMSISFI-HUUCEWRRSA-N 1 2 261.369 2.385 10 0 CEAELO CCn1cc([C@H]2C[N@H+]([C@@H]3C=CCCC3)CCO2)cn1 ZINC000248696710 371235967 /nfs/dbraw/zinc/23/59/67/371235967.db2.gz CSDZTVANMSISFI-HUUCEWRRSA-N 1 2 261.369 2.385 10 0 CEAELO F[C@@H]1C[NH2+][C@@H](c2nc(CCc3ccccc3)no2)C1 ZINC000261844167 371747614 /nfs/dbraw/zinc/74/76/14/371747614.db2.gz SEMNNEMVUPGNCD-NWDGAFQWSA-N 1 2 261.300 2.227 10 0 CEAELO CO[C@H]1C[C@H](CO)[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000344677799 217272336 /nfs/dbraw/zinc/27/23/36/217272336.db2.gz OLZCESXBUJPXKG-MNOVXSKESA-N 1 2 284.425 2.022 10 0 CEAELO CO[C@H]1C[C@H](CO)[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000344677799 217272337 /nfs/dbraw/zinc/27/23/37/217272337.db2.gz OLZCESXBUJPXKG-MNOVXSKESA-N 1 2 284.425 2.022 10 0 CEAELO CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000373090429 374263468 /nfs/dbraw/zinc/26/34/68/374263468.db2.gz WGJNPNCAMJIQRJ-AVGNSLFASA-N 1 2 277.368 2.134 10 0 CEAELO CCC[C@@]1([NH2+]Cc2nnsc2Cl)CCOC1 ZINC000390453498 375312833 /nfs/dbraw/zinc/31/28/33/375312833.db2.gz BLJKNOLMCYYQKF-SNVBAGLBSA-N 1 2 261.778 2.240 10 0 CEAELO Cc1nnc([C@H]2CCCC[N@@H+]2CCOCC2CC2)[nH]1 ZINC000328619770 376863856 /nfs/dbraw/zinc/86/38/56/376863856.db2.gz WGZZMWNZOFXARR-CYBMUJFWSA-N 1 2 264.373 2.067 10 0 CEAELO Cc1nnc([C@H]2CCCC[N@H+]2CCOCC2CC2)[nH]1 ZINC000328619770 376863865 /nfs/dbraw/zinc/86/38/65/376863865.db2.gz WGZZMWNZOFXARR-CYBMUJFWSA-N 1 2 264.373 2.067 10 0 CEAELO C[N@@H+]1CCO[C@@H](CNCc2cc(Cl)sc2Cl)C1 ZINC000312602134 249374262 /nfs/dbraw/zinc/37/42/62/249374262.db2.gz MWDFLYYZUVRRHE-VIFPVBQESA-N 1 2 295.235 2.475 10 0 CEAELO C[N@H+]1CCO[C@@H](CNCc2cc(Cl)sc2Cl)C1 ZINC000312602134 249374265 /nfs/dbraw/zinc/37/42/65/249374265.db2.gz MWDFLYYZUVRRHE-VIFPVBQESA-N 1 2 295.235 2.475 10 0 CEAELO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](O)[C@@H]2C)c(Cl)c1 ZINC000296434115 378529961 /nfs/dbraw/zinc/52/99/61/378529961.db2.gz WIFLSQBTZPVLFW-FZMZJTMJSA-N 1 2 296.798 2.432 10 0 CEAELO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](O)[C@@H]2C)c(Cl)c1 ZINC000296434115 378529966 /nfs/dbraw/zinc/52/99/66/378529966.db2.gz WIFLSQBTZPVLFW-FZMZJTMJSA-N 1 2 296.798 2.432 10 0 CEAELO Cc1cc2c(NCc3cc[nH+]c(N(C)C)c3)nccn2n1 ZINC000302321380 379355630 /nfs/dbraw/zinc/35/56/30/379355630.db2.gz RHHNWEKOEFBHMZ-UHFFFAOYSA-N 1 2 282.351 2.111 10 0 CEAELO COCCc1noc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)n1 ZINC000181628399 542275150 /nfs/dbraw/zinc/27/51/50/542275150.db2.gz KMJCMGFDAFVEFM-SECBINFHSA-N 1 2 297.305 2.388 10 0 CEAELO C[C@@H](O)c1ccc(NC(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000080537114 177667344 /nfs/dbraw/zinc/66/73/44/177667344.db2.gz GTXRJKFDXOOEJQ-SNVBAGLBSA-N 1 2 274.324 2.127 10 0 CEAELO CCCn1c[nH+]cc1[C@H](O)Cc1nc2ccccc2n1C ZINC000094168708 184758185 /nfs/dbraw/zinc/75/81/85/184758185.db2.gz SHTDKRBXTKSPMK-OAHLLOKOSA-N 1 2 284.363 2.456 10 0 CEAELO Cn1c[nH+]cc1[C@@H](O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094389745 184793007 /nfs/dbraw/zinc/79/30/07/184793007.db2.gz GVKOEMZYPMCMBQ-AAEUAGOBSA-N 1 2 282.409 2.146 10 0 CEAELO CC[C@H]1CO[C@H](C)CN1c1nc[nH+]c2cc(N)ccc21 ZINC000087820132 135051645 /nfs/dbraw/zinc/05/16/45/135051645.db2.gz KOILPVUMBLGTBG-PWSUYJOCSA-N 1 2 272.352 2.216 10 0 CEAELO OCc1ccc[nH+]c1N1CCC[C@@H](C(F)(F)F)C1 ZINC000088433101 135054644 /nfs/dbraw/zinc/05/46/44/135054644.db2.gz ZBZXFACELTWOBU-SNVBAGLBSA-N 1 2 260.259 2.353 10 0 CEAELO C[C@H]1NC(=O)CC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000334274400 394670939 /nfs/dbraw/zinc/67/09/39/394670939.db2.gz BJHNXXVWRUHKGB-VXNVDRBHSA-N 1 2 273.258 2.179 10 0 CEAELO CC(C)C1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000176355674 395138734 /nfs/dbraw/zinc/13/87/34/395138734.db2.gz OMRWHBCTBGXKJO-CQSZACIVSA-N 1 2 290.411 2.493 10 0 CEAELO CCCc1nc(NC2CCCCC2)nc(NC(C)C)[nH+]1 ZINC000584615156 395665523 /nfs/dbraw/zinc/66/55/23/395665523.db2.gz LGHWZFVBZPDHNK-UHFFFAOYSA-N 1 2 277.416 2.233 10 0 CEAELO CCCc1nc(NC(C)C)nc(NC2CCCCC2)[nH+]1 ZINC000584615156 395665524 /nfs/dbraw/zinc/66/55/24/395665524.db2.gz LGHWZFVBZPDHNK-UHFFFAOYSA-N 1 2 277.416 2.233 10 0 CEAELO c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCCn2ncnc21 ZINC000190942906 296608976 /nfs/dbraw/zinc/60/89/76/296608976.db2.gz KVLBDQZTLPUKFY-VXGBXAGGSA-N 1 2 258.325 2.373 10 0 CEAELO O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1COc2ccccc21 ZINC000194871648 153267226 /nfs/dbraw/zinc/26/72/26/153267226.db2.gz DVHJJBNHYUOVOF-CQSZACIVSA-N 1 2 293.326 2.127 10 0 CEAELO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000195029478 153272574 /nfs/dbraw/zinc/27/25/74/153272574.db2.gz TVYVDKOMSLGQTL-CQSZACIVSA-N 1 2 285.395 2.368 10 0 CEAELO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000195029478 153272582 /nfs/dbraw/zinc/27/25/82/153272582.db2.gz TVYVDKOMSLGQTL-CQSZACIVSA-N 1 2 285.395 2.368 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)CCc1ccccc1 ZINC000195519915 153294482 /nfs/dbraw/zinc/29/44/82/153294482.db2.gz ZTLGQALVVOTGQV-UHFFFAOYSA-N 1 2 278.377 2.061 10 0 CEAELO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000230646110 153395233 /nfs/dbraw/zinc/39/52/33/153395233.db2.gz OKKVKQMCQYAJSB-WDEREUQCSA-N 1 2 267.373 2.327 10 0 CEAELO CO[C@H](C)c1cccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263197097 154030521 /nfs/dbraw/zinc/03/05/21/154030521.db2.gz IOEJUHMJOLGHER-BXKDBHETSA-N 1 2 284.306 2.330 10 0 CEAELO C[C@@H]1CCCC[C@H]1CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263289378 154049373 /nfs/dbraw/zinc/04/93/73/154049373.db2.gz VMPVZMNUYJBXOV-GRYCIOLGSA-N 1 2 274.355 2.316 10 0 CEAELO C[C@H]1CC[C@H]([N@@H+]2CCC(C)(C)S(=O)(=O)CC2)C1 ZINC000336386067 300069182 /nfs/dbraw/zinc/06/91/82/300069182.db2.gz BWAPJHLMKPXOMA-RYUDHWBXSA-N 1 2 259.415 2.074 10 0 CEAELO C[C@H]1CC[C@H]([N@H+]2CCC(C)(C)S(=O)(=O)CC2)C1 ZINC000336386067 300069184 /nfs/dbraw/zinc/06/91/84/300069184.db2.gz BWAPJHLMKPXOMA-RYUDHWBXSA-N 1 2 259.415 2.074 10 0 CEAELO COc1cccc(C[NH+]2CCC(c3ccn[nH]3)CC2)n1 ZINC000171826993 162391039 /nfs/dbraw/zinc/39/10/39/162391039.db2.gz ALFMDXAHLUKJAH-UHFFFAOYSA-N 1 2 272.352 2.193 10 0 CEAELO C[C@@H]1C[C@@H](CC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC000170758440 165043140 /nfs/dbraw/zinc/04/31/40/165043140.db2.gz NKZSBVFDZHOVCV-QLFBSQMISA-N 1 2 296.455 2.286 10 0 CEAELO C[C@@H]1C[C@@H](CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC000170758440 165043144 /nfs/dbraw/zinc/04/31/44/165043144.db2.gz NKZSBVFDZHOVCV-QLFBSQMISA-N 1 2 296.455 2.286 10 0 CEAELO CCn1c(C)nnc1C[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000174480428 165106702 /nfs/dbraw/zinc/10/67/02/165106702.db2.gz PRKKKVCYOSEHBX-IUODEOHRSA-N 1 2 280.416 2.242 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000174480428 165106705 /nfs/dbraw/zinc/10/67/05/165106705.db2.gz PRKKKVCYOSEHBX-IUODEOHRSA-N 1 2 280.416 2.242 10 0 CEAELO COCCN1CC[N@H+](Cc2cc(F)ccc2C)C[C@H]1C ZINC000180099775 165296699 /nfs/dbraw/zinc/29/66/99/165296699.db2.gz YOJYEIQSQGXKEU-CQSZACIVSA-N 1 2 280.387 2.287 10 0 CEAELO COCCN1CC[N@@H+](Cc2cc(F)ccc2C)C[C@H]1C ZINC000180099775 165296703 /nfs/dbraw/zinc/29/67/03/165296703.db2.gz YOJYEIQSQGXKEU-CQSZACIVSA-N 1 2 280.387 2.287 10 0 CEAELO CC(C)c1nnc(C[NH2+][C@H](C)c2cccnc2)n1C ZINC000181640050 165353088 /nfs/dbraw/zinc/35/30/88/165353088.db2.gz PVQGUSFKOPBZIS-LLVKDONJSA-N 1 2 259.357 2.184 10 0 CEAELO C[C@H](CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC000183228032 165385970 /nfs/dbraw/zinc/38/59/70/165385970.db2.gz AZQQGHRUCLOOAT-RBSFLKMASA-N 1 2 296.455 2.286 10 0 CEAELO NC(=S)c1ccc(F)c(C[NH+]2CCSCC2)c1 ZINC000020257319 171112285 /nfs/dbraw/zinc/11/22/85/171112285.db2.gz PXUWFTOABCJJFI-UHFFFAOYSA-N 1 2 270.398 2.009 10 0 CEAELO Cc1ccc(NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000020359200 171157968 /nfs/dbraw/zinc/15/79/68/171157968.db2.gz GQJKEFAAXVSZPZ-UHFFFAOYSA-N 1 2 254.761 2.393 10 0 CEAELO COC(=O)[C@H]([NH3+])c1ccc(Oc2cccnc2)cc1 ZINC000035630198 172311663 /nfs/dbraw/zinc/31/16/63/172311663.db2.gz KQVQKEJHKGFEQO-CYBMUJFWSA-N 1 2 258.277 2.047 10 0 CEAELO C[C@@H]([NH2+]Cc1cc(C(N)=O)ccc1F)c1ccccn1 ZINC000035694790 172363851 /nfs/dbraw/zinc/36/38/51/172363851.db2.gz DEPCGOJZVZHIBL-SNVBAGLBSA-N 1 2 273.311 2.170 10 0 CEAELO Cn1c(Cl)cnc1CSc1ccc(N)[nH+]c1 ZINC000037192502 173022248 /nfs/dbraw/zinc/02/22/48/173022248.db2.gz JKPVVNLIPWSTEW-UHFFFAOYSA-N 1 2 254.746 2.343 10 0 CEAELO CCN(CC)C(=O)[C@H](C)Sc1ccc(N)[nH+]c1 ZINC000037192522 173022502 /nfs/dbraw/zinc/02/25/02/173022502.db2.gz GKUWRUFVKKJTAD-VIFPVBQESA-N 1 2 253.371 2.013 10 0 CEAELO C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)c1nncn1C ZINC000037293919 173098633 /nfs/dbraw/zinc/09/86/33/173098633.db2.gz UKCAGPJMWSUSOG-ZWNOBZJWSA-N 1 2 274.393 2.454 10 0 CEAELO O=c1nc(C[NH2+]CCc2ccccc2)[nH]c2ccsc21 ZINC000037328632 173129010 /nfs/dbraw/zinc/12/90/10/173129010.db2.gz RZPCGSOEDDNSCZ-UHFFFAOYSA-N 1 2 285.372 2.317 10 0 CEAELO Nc1ccc(Cn2cc[nH+]c2)c(Br)c1 ZINC000037460502 173223983 /nfs/dbraw/zinc/22/39/83/173223983.db2.gz LNLREEFORSPNHV-UHFFFAOYSA-N 1 2 252.115 2.276 10 0 CEAELO CCOC(=O)[C@@H]([NH3+])c1c(OC)ccc2ccccc21 ZINC000037514847 173247005 /nfs/dbraw/zinc/24/70/05/173247005.db2.gz GKUJQAJQCJBIHL-AWEZNQCLSA-N 1 2 259.305 2.411 10 0 CEAELO CCOC(=O)[C@@H]([NH3+])c1cc(Cl)c2c(c1)OCCCO2 ZINC000037514855 173247063 /nfs/dbraw/zinc/24/70/63/173247063.db2.gz DCTCDXDUJLWOAD-NSHDSACASA-N 1 2 285.727 2.064 10 0 CEAELO O=C([O-])[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccsc2)CC1 ZINC000038042747 174047223 /nfs/dbraw/zinc/04/72/23/174047223.db2.gz CUIJVQOMIVAODR-AWEZNQCLSA-N 1 2 294.420 2.262 10 0 CEAELO O=C([O-])[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2ccsc2)CC1 ZINC000038042747 174047224 /nfs/dbraw/zinc/04/72/24/174047224.db2.gz CUIJVQOMIVAODR-AWEZNQCLSA-N 1 2 294.420 2.262 10 0 CEAELO COCCCNC(=O)Cn1c(C)[nH+]c2cc(C)c(C)cc21 ZINC000040295524 174223569 /nfs/dbraw/zinc/22/35/69/174223569.db2.gz LPKFQCYMGLDUDH-UHFFFAOYSA-N 1 2 289.379 2.114 10 0 CEAELO Cc1nc(C[NH2+]Cc2cccc3c2OCO3)oc1C ZINC000040667330 174366942 /nfs/dbraw/zinc/36/69/42/174366942.db2.gz HYGHSQWLFWNLHR-UHFFFAOYSA-N 1 2 260.293 2.310 10 0 CEAELO Nc1c(N2CCc3ccccc32)nc[nH+]c1N1CCCC1 ZINC000040687288 174376122 /nfs/dbraw/zinc/37/61/22/174376122.db2.gz JHNOPKSFQODCKT-UHFFFAOYSA-N 1 2 281.363 2.353 10 0 CEAELO CC(=O)c1cccc(Nc2ncnc(-n3cc[nH+]c3)c2N)c1 ZINC000040705555 174379537 /nfs/dbraw/zinc/37/95/37/174379537.db2.gz PBKFPXYISLYNRX-UHFFFAOYSA-N 1 2 294.318 2.191 10 0 CEAELO CCN(CC)c1[nH+]cnc(NNc2ccccc2)c1N ZINC000040723195 174385322 /nfs/dbraw/zinc/38/53/22/174385322.db2.gz LYTJMYUIOBYHCQ-UHFFFAOYSA-N 1 2 272.356 2.344 10 0 CEAELO COc1ccccc1Nc1nc[nH+]c(N2CCCC2)c1N ZINC000040724377 174386491 /nfs/dbraw/zinc/38/64/91/174386491.db2.gz WUGVIBREBIAPOT-UHFFFAOYSA-N 1 2 285.351 2.411 10 0 CEAELO O=C(C[N@H+]1CCC[C@@H]1CCCO)c1ccccc1F ZINC000052761238 414748567 /nfs/dbraw/zinc/74/85/67/414748567.db2.gz JNKKLUKBYOUNCC-GFCCVEGCSA-N 1 2 265.328 2.245 10 0 CEAELO O=C(C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1F ZINC000052761238 414748572 /nfs/dbraw/zinc/74/85/72/414748572.db2.gz JNKKLUKBYOUNCC-GFCCVEGCSA-N 1 2 265.328 2.245 10 0 CEAELO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662889126 414790431 /nfs/dbraw/zinc/79/04/31/414790431.db2.gz HJKYWQIQNHKLDF-MXWKQRLJSA-N 1 2 260.328 2.021 10 0 CEAELO O[C@@H]1C[C@H](Nc2ccc3ccccc3[nH+]2)[C@H]1n1cccn1 ZINC000664115498 415177035 /nfs/dbraw/zinc/17/70/35/415177035.db2.gz LAVFGBIXJVKGBV-SQWLQELKSA-N 1 2 280.331 2.218 10 0 CEAELO Cc1noc(CNc2ccc3[nH+]cccc3c2N)n1 ZINC000044988027 175285198 /nfs/dbraw/zinc/28/51/98/175285198.db2.gz APTZDGBYCJMDSX-UHFFFAOYSA-N 1 2 255.281 2.121 10 0 CEAELO CCOC(=O)[C@](C)(CCN(CC(F)(F)F)C(C)C)[NH2+]C ZINC000045273978 175344401 /nfs/dbraw/zinc/34/44/01/175344401.db2.gz LPSRZUHHSHUCFL-LBPRGKRZSA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@@](C)(C[N@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277749 175347164 /nfs/dbraw/zinc/34/71/64/175347164.db2.gz ZHDGAWILKOXAAH-AWEZNQCLSA-N 1 2 258.406 2.197 10 0 CEAELO CC[NH2+][C@@](C)(C[N@@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277749 175347165 /nfs/dbraw/zinc/34/71/65/175347165.db2.gz ZHDGAWILKOXAAH-AWEZNQCLSA-N 1 2 258.406 2.197 10 0 CEAELO C[C@@H](Nc1ccccc1-n1cncn1)c1[nH+]ccn1C ZINC000070444325 175936011 /nfs/dbraw/zinc/93/60/11/175936011.db2.gz QJOUJORUOQXWNJ-LLVKDONJSA-N 1 2 268.324 2.174 10 0 CEAELO COC(=O)[C@](C)(Cc1ccc(OC)cc1)[NH2+]C(C)C ZINC000071169709 176050381 /nfs/dbraw/zinc/05/03/81/176050381.db2.gz RHQDHHIYJALEJZ-HNNXBMFYSA-N 1 2 265.353 2.167 10 0 CEAELO COC(=O)c1ccc(Nc2ccc3c(c2)CCC[NH2+]3)nn1 ZINC000071214944 176086132 /nfs/dbraw/zinc/08/61/32/176086132.db2.gz GSJYIJWDJHSDMO-UHFFFAOYSA-N 1 2 284.319 2.365 10 0 CEAELO CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCCCCC(=O)[O-] ZINC000071293858 176111478 /nfs/dbraw/zinc/11/14/78/176111478.db2.gz QVEFKSROZSJIRS-ZDUSSCGKSA-N 1 2 258.406 2.197 10 0 CEAELO C[C@H](C[NH+]1CCCCC1)[NH2+]CCCCCC(=O)[O-] ZINC000071293801 176111518 /nfs/dbraw/zinc/11/15/18/176111518.db2.gz AKHSKRAPRQLCEB-CYBMUJFWSA-N 1 2 256.390 2.095 10 0 CEAELO O=C(NCCc1cn2cc(F)ccc2[nH+]1)c1ccco1 ZINC000071489969 176190232 /nfs/dbraw/zinc/19/02/32/176190232.db2.gz MSPCAILXUOUBFT-UHFFFAOYSA-N 1 2 273.267 2.039 10 0 CEAELO CCOCCCNC(=O)c1ccc2[nH+]c(CC)c(C)n2c1 ZINC000071540649 176195830 /nfs/dbraw/zinc/19/58/30/176195830.db2.gz XBPFUOPUDQFICZ-UHFFFAOYSA-N 1 2 289.379 2.362 10 0 CEAELO Cc1cc(NC(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)cc[nH+]1 ZINC000074668704 176596706 /nfs/dbraw/zinc/59/67/06/176596706.db2.gz HXWKNMNKARZJJH-JTQLQIEISA-N 1 2 297.314 2.362 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCCC1CCCCC1 ZINC000077365194 177257775 /nfs/dbraw/zinc/25/77/75/177257775.db2.gz SSFQYKGPMDCMGO-ZIAGYGMSSA-N 1 2 282.428 2.182 10 0 CEAELO C[C@H]1COC[C@H](C)[NH+]1CCOCC(F)(F)C(F)(F)F ZINC000189376919 270261186 /nfs/dbraw/zinc/26/11/86/270261186.db2.gz QSHQYCJASRFCGG-IUCAKERBSA-N 1 2 291.260 2.310 10 0 CEAELO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](O)CC[C@@H]2C)c(Cl)c1 ZINC000399259456 270368665 /nfs/dbraw/zinc/36/86/65/270368665.db2.gz NTOUMWFVVBEDSY-RYUDHWBXSA-N 1 2 296.798 2.432 10 0 CEAELO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)CC[C@@H]2C)c(Cl)c1 ZINC000399259456 270368668 /nfs/dbraw/zinc/36/86/68/270368668.db2.gz NTOUMWFVVBEDSY-RYUDHWBXSA-N 1 2 296.798 2.432 10 0 CEAELO CC(C)C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000176531960 278668481 /nfs/dbraw/zinc/66/84/81/278668481.db2.gz VHKRDMQPMXXZIK-CYBMUJFWSA-N 1 2 296.436 2.236 10 0 CEAELO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263115136 279004478 /nfs/dbraw/zinc/00/44/78/279004478.db2.gz ANORCHJRJCTSGF-XBFCOCLRSA-N 1 2 294.345 2.388 10 0 CEAELO C[C@@H]1CC[C@@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)O1 ZINC000132216477 279973217 /nfs/dbraw/zinc/97/32/17/279973217.db2.gz YSURATHIRGQMKP-RISCZKNCSA-N 1 2 271.320 2.378 10 0 CEAELO Cc1ccc([C@H](C)NC(=O)NCCn2cc[nH+]c2)cc1F ZINC000151014111 280086291 /nfs/dbraw/zinc/08/62/91/280086291.db2.gz PCDYDLBNKYCLRA-LBPRGKRZSA-N 1 2 290.342 2.391 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(CCOCC(F)F)C2 ZINC000189228498 280146876 /nfs/dbraw/zinc/14/68/76/280146876.db2.gz USPHINCIPCRRPE-UHFFFAOYSA-N 1 2 287.354 2.183 10 0 CEAELO C[C@H](CNC(=O)CC1(C)CCCCC1)[NH+]1CCOCC1 ZINC000163138821 297458479 /nfs/dbraw/zinc/45/84/79/297458479.db2.gz RSSQVVQKNBALFA-CQSZACIVSA-N 1 2 282.428 2.184 10 0 CEAELO CCn1c(C)nnc1C[NH2+][C@@H](COC)c1ccccc1 ZINC000181651146 312793007 /nfs/dbraw/zinc/79/30/07/312793007.db2.gz PCWXIDSFNVWGMB-AWEZNQCLSA-N 1 2 274.368 2.084 10 0 CEAELO OC[C@H]1OC[C@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306618481 333008178 /nfs/dbraw/zinc/00/81/78/333008178.db2.gz SOYKOCDOUIBHOG-QZTJIDSGSA-N 1 2 283.371 2.449 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](C)C(CC)CC)(C(=O)[O-])C1CC1 ZINC000069099487 520048074 /nfs/dbraw/zinc/04/80/74/520048074.db2.gz IWTXBRBPDMSNQI-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](C)C(CC)CC)(C(=O)[O-])C1CC1 ZINC000069099487 520048083 /nfs/dbraw/zinc/04/80/83/520048083.db2.gz IWTXBRBPDMSNQI-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CCCCCCOC[C@]([NH2+]C)(C(=O)OC)C1CC1 ZINC000069195318 520100883 /nfs/dbraw/zinc/10/08/83/520100883.db2.gz HEHFFNAWLQNOCA-CQSZACIVSA-N 1 2 257.374 2.125 10 0 CEAELO CC[N@H+](C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1)C1CCCC1 ZINC000069099250 521233679 /nfs/dbraw/zinc/23/36/79/521233679.db2.gz NJJJADRVJCRQCE-INIZCTEOSA-N 1 2 282.428 2.482 10 0 CEAELO CC[N@@H+](C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1)C1CCCC1 ZINC000069099250 521233687 /nfs/dbraw/zinc/23/36/87/521233687.db2.gz NJJJADRVJCRQCE-INIZCTEOSA-N 1 2 282.428 2.482 10 0 CEAELO C(C[C@@H]1CCCCO1)c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000069403360 518395205 /nfs/dbraw/zinc/39/52/05/518395205.db2.gz VKVDTTWTMSXUAB-RYUDHWBXSA-N 1 2 265.357 2.386 10 0 CEAELO CC(C)(C)CNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061538341 518671677 /nfs/dbraw/zinc/67/16/77/518671677.db2.gz DZUACAMSVFBSSF-UHFFFAOYSA-N 1 2 266.736 2.169 10 0 CEAELO CC(=O)N1CCc2cc(NCc3[nH]c[nH+]c3C)ccc21 ZINC000054794991 519632952 /nfs/dbraw/zinc/63/29/52/519632952.db2.gz LZMLFISDOIZNNZ-UHFFFAOYSA-N 1 2 270.336 2.239 10 0 CEAELO CCC1=NN(c2ccc(F)cc2F)C(=O)[C@H]1CCC[NH3+] ZINC000069506772 519849406 /nfs/dbraw/zinc/84/94/06/519849406.db2.gz PTGUDQSVUKCYMV-JTQLQIEISA-N 1 2 281.306 2.433 10 0 CEAELO CC(C)c1[nH+]c(-c2cc(F)ccc2F)c(N)n1N ZINC000052840008 519858359 /nfs/dbraw/zinc/85/83/59/519858359.db2.gz IMICGGKHQJIKSQ-UHFFFAOYSA-N 1 2 252.268 2.248 10 0 CEAELO CCC[NH2+][C@@H](CCn1cc[nH+]c1-c1ccccc1)C(=O)[O-] ZINC000062536422 520007266 /nfs/dbraw/zinc/00/72/66/520007266.db2.gz QPSWSIBEWJJWHE-AWEZNQCLSA-N 1 2 287.363 2.393 10 0 CEAELO CCC[NH2+][C@@H](COc1cc(F)cc(F)c1)C(=O)OCC ZINC000054934029 520011412 /nfs/dbraw/zinc/01/14/12/520011412.db2.gz JUVOYRHUNNCPJY-ZDUSSCGKSA-N 1 2 287.306 2.275 10 0 CEAELO CCC[NH2+][C@@](CSc1ccccn1)(C(=O)OC)C1CC1 ZINC000069187083 520057133 /nfs/dbraw/zinc/05/71/33/520057133.db2.gz UPOHHTHSIZHWRI-OAHLLOKOSA-N 1 2 294.420 2.495 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc2c(c1)CCC2)C(=O)OC ZINC000062545576 520092499 /nfs/dbraw/zinc/09/24/99/520092499.db2.gz IYZDGSCMJSNBHM-HNNXBMFYSA-N 1 2 277.364 2.095 10 0 CEAELO CC[NH2+][C@@](C)(COc1cccc(COC)c1)C(=O)OCC ZINC000069508582 520137285 /nfs/dbraw/zinc/13/72/85/520137285.db2.gz AFSFJVBSOUQAEW-INIZCTEOSA-N 1 2 295.379 2.143 10 0 CEAELO CC[NH2+][C@@](COc1ccccc1OC)(C(=O)OC)C1CC1 ZINC000069197636 520157887 /nfs/dbraw/zinc/15/78/87/520157887.db2.gz OZUJZVDGPDQGEG-MRXNPFEDSA-N 1 2 293.363 2.005 10 0 CEAELO CC[NH2+][C@@](COc1cccc(F)c1)(C(=O)OC)C1CC1 ZINC000069197680 520158011 /nfs/dbraw/zinc/15/80/11/520158011.db2.gz BSHMQRNYPNBKFA-OAHLLOKOSA-N 1 2 281.327 2.136 10 0 CEAELO CCCNc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000061630901 520163955 /nfs/dbraw/zinc/16/39/55/520163955.db2.gz NQYMYWNZLMGUDS-GFCCVEGCSA-N 1 2 296.802 2.007 10 0 CEAELO CCCNc1ccc(Cl)c(C[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000061630901 520163962 /nfs/dbraw/zinc/16/39/62/520163962.db2.gz NQYMYWNZLMGUDS-GFCCVEGCSA-N 1 2 296.802 2.007 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)N(C)CC(F)(F)F)C(=O)OCC ZINC000068627571 520233903 /nfs/dbraw/zinc/23/39/03/520233903.db2.gz LZGMDAKONYBKFU-ZYHUDNBSSA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@](CN(C)c1ccccc1)(C(=O)OCC)C1CC1 ZINC000069094358 520244557 /nfs/dbraw/zinc/24/45/57/520244557.db2.gz VFRJMCOZBNVLJD-KRWDZBQOSA-N 1 2 290.407 2.444 10 0 CEAELO CC[NH2+][C@](COc1cc(F)cc(F)c1)(C(=O)OC)C1CC1 ZINC000069198579 520250926 /nfs/dbraw/zinc/25/09/26/520250926.db2.gz LXQJBHIRENASCV-HNNXBMFYSA-N 1 2 299.317 2.275 10 0 CEAELO CCCCOCCO[C@@H](C)C[C@](C)([NH2+]C)C(=O)OCC ZINC000068653029 520790956 /nfs/dbraw/zinc/79/09/56/520790956.db2.gz LSOOJJSDUKALKM-ZFWWWQNUSA-N 1 2 289.416 2.140 10 0 CEAELO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccnc(NC)c1 ZINC000052722168 521100270 /nfs/dbraw/zinc/10/02/70/521100270.db2.gz PIOMCLQOZTYDGV-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccnc(NC)c1 ZINC000052722168 521100276 /nfs/dbraw/zinc/10/02/76/521100276.db2.gz PIOMCLQOZTYDGV-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CCOC(=O)[C@H](CCN(C)c1cc(C)cc(C)c1)[NH2+]C ZINC000062528731 521243572 /nfs/dbraw/zinc/24/35/72/521243572.db2.gz FQNHOBSCXWDEAW-HNNXBMFYSA-N 1 2 278.396 2.281 10 0 CEAELO CCOC(=O)[C@H](CCn1nc(C)c(CC)c1C)[NH2+]C1CC1 ZINC000062536803 521249096 /nfs/dbraw/zinc/24/90/96/521249096.db2.gz FYHKCXXZSBVTFX-HNNXBMFYSA-N 1 2 293.411 2.136 10 0 CEAELO CCN(C[C@]([NH2+]C)(C(=O)OC)C1CC1)c1ccc(C)cc1 ZINC000069231301 521275769 /nfs/dbraw/zinc/27/57/69/521275769.db2.gz PSGPESZCBNMPAP-QGZVFWFLSA-N 1 2 290.407 2.363 10 0 CEAELO CCN(C[C@]([NH2+]C)(C(=O)OC)C1CC1)c1ccccc1F ZINC000069231526 521276772 /nfs/dbraw/zinc/27/67/72/521276772.db2.gz OSLXPDZKYOFEOP-MRXNPFEDSA-N 1 2 294.370 2.193 10 0 CEAELO CCOC(=O)[C@](COc1ccccc1C)([NH2+]C)C1CC1 ZINC000069197479 521343430 /nfs/dbraw/zinc/34/34/30/521343430.db2.gz PJHJBQKNFSOUPI-MRXNPFEDSA-N 1 2 277.364 2.305 10 0 CEAELO CCOc1ccccc1C(=O)Nc1cc[nH+]cc1N ZINC000062725722 521462382 /nfs/dbraw/zinc/46/23/82/521462382.db2.gz LYCMBTDOOJFAKV-UHFFFAOYSA-N 1 2 257.293 2.315 10 0 CEAELO CC[N@@H+]1CCC[C@H](Nc2[nH+]c3c(cc2C(=O)[O-])CCC3)C1 ZINC000054529716 521650014 /nfs/dbraw/zinc/65/00/14/521650014.db2.gz XTVKFXLLSHYRKC-LBPRGKRZSA-N 1 2 289.379 2.165 10 0 CEAELO CC[N@H+]1CCC[C@H](Nc2[nH+]c3c(cc2C(=O)[O-])CCC3)C1 ZINC000054529716 521650016 /nfs/dbraw/zinc/65/00/16/521650016.db2.gz XTVKFXLLSHYRKC-LBPRGKRZSA-N 1 2 289.379 2.165 10 0 CEAELO CCc1ccccc1OCC[C@@H]([NH2+]C1CC1)C(=O)OC ZINC000062594589 521921752 /nfs/dbraw/zinc/92/17/52/521921752.db2.gz WFZAJBGBRQXLND-CQSZACIVSA-N 1 2 277.364 2.312 10 0 CEAELO CC[C@@H](C)N1CC[NH+]([C@H]2CCCCCC2=O)CC1 ZINC000055064225 522131103 /nfs/dbraw/zinc/13/11/03/522131103.db2.gz SCPDHZBACWRRQR-KGLIPLIRSA-N 1 2 252.402 2.304 10 0 CEAELO C[NH2+][C@@](C)(CCn1c[nH+]c2cc(C)c(C)cc21)C(=O)[O-] ZINC000045431084 522413362 /nfs/dbraw/zinc/41/33/62/522413362.db2.gz FIJDFIXYCUGGNT-HNNXBMFYSA-N 1 2 275.352 2.106 10 0 CEAELO C[NH2+][C@@](CO[C@@H]1CCC[C@@H](C)C1)(C(=O)OC)C1CC1 ZINC000069195453 522428043 /nfs/dbraw/zinc/42/80/43/522428043.db2.gz FUMZIVMVJDGKDT-UXIGCNINSA-N 1 2 269.385 2.123 10 0 CEAELO 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274.364 2.235 10 0 CEAELO CC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C)C1 ZINC000111689989 627827337 /nfs/dbraw/zinc/82/73/37/627827337.db2.gz IGXWFDZUCDDRHZ-AWEZNQCLSA-N 1 2 274.364 2.235 10 0 CEAELO COC[C@@H]([NH3+])c1nc(CSc2ccc(F)cc2)no1 ZINC000167540596 639520967 /nfs/dbraw/zinc/52/09/67/639520967.db2.gz XINXKFALZSQZIS-SNVBAGLBSA-N 1 2 283.328 2.147 10 0 CEAELO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069819036 641601551 /nfs/dbraw/zinc/60/15/51/641601551.db2.gz RKIWMTZZIQCQTD-RISCZKNCSA-N 1 2 270.336 2.080 10 0 CEAELO Cc1cnc(=S)n(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000132394781 652517859 /nfs/dbraw/zinc/51/78/59/652517859.db2.gz GENPBLLJFZFQHH-CYBMUJFWSA-N 1 2 289.408 2.449 10 0 CEAELO Cc1cnc(=S)n(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000132394781 652517862 /nfs/dbraw/zinc/51/78/62/652517862.db2.gz GENPBLLJFZFQHH-CYBMUJFWSA-N 1 2 289.408 2.449 10 0 CEAELO COc1ccc2c(c1)[nH+]ccc2OCc1nccc(N)n1 ZINC000095977982 185051895 /nfs/dbraw/zinc/05/18/95/185051895.db2.gz 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AQGKQELDANSRSK-LBPRGKRZSA-N 1 2 287.363 2.339 10 0 CEAELO CN1CCN(C(=O)CC2=CCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328623493 344755956 /nfs/dbraw/zinc/75/59/56/344755956.db2.gz JFRGDERDCCGUQH-AWEZNQCLSA-N 1 2 288.395 2.115 10 0 CEAELO Cc1cc(I)cc(N(C)C)[nH+]1 ZINC000584628391 344968709 /nfs/dbraw/zinc/96/87/09/344968709.db2.gz NRHIAKGAKDWYIY-UHFFFAOYSA-N 1 2 262.094 2.061 10 0 CEAELO Cc1csc([C@@H]2C[N@H+](Cc3cccn3C)CCO2)n1 ZINC000092790340 232182544 /nfs/dbraw/zinc/18/25/44/232182544.db2.gz XQXWFUYKDJMPIT-ZDUSSCGKSA-N 1 2 277.393 2.364 10 0 CEAELO Cc1csc([C@@H]2C[N@@H+](Cc3cccn3C)CCO2)n1 ZINC000092790340 232182549 /nfs/dbraw/zinc/18/25/49/232182549.db2.gz XQXWFUYKDJMPIT-ZDUSSCGKSA-N 1 2 277.393 2.364 10 0 CEAELO CCCn1cc[nH+]c1[C@@H](NN)c1ccc(CC)cc1 ZINC000097487097 185615687 /nfs/dbraw/zinc/61/56/87/185615687.db2.gz DOIUHLYVKQXJOT-AWEZNQCLSA-N 1 2 258.369 2.408 10 0 CEAELO COc1ccc([C@H](C)[NH2+]Cc2nnc(C)o2)cc1OC ZINC000180879254 232398692 /nfs/dbraw/zinc/39/86/92/232398692.db2.gz LPUGWQPLKAAXNC-VIFPVBQESA-N 1 2 277.324 2.246 10 0 CEAELO Cc1cc[nH+]c(N)c1C(=O)c1ccc(Cl)cc1N ZINC000086111983 179233741 /nfs/dbraw/zinc/23/37/41/179233741.db2.gz HHBLWLPNYLXCIC-UHFFFAOYSA-N 1 2 261.712 2.439 10 0 CEAELO CN1CCN2c3[nH+]cccc3Cc3ccccc3[C@H]2C1=O ZINC000035645932 282972376 /nfs/dbraw/zinc/97/23/76/282972376.db2.gz NWXITVQAKIFZLZ-HNNXBMFYSA-N 1 2 279.343 2.006 10 0 in-vitro CEAELO CC(C)CN(CC(C)(C)C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000129937509 365907876 /nfs/dbraw/zinc/90/78/76/365907876.db2.gz OICYGSDHTSSDIB-AWEZNQCLSA-N 1 2 299.459 2.031 10 0 CEAELO CC(C)CN(CC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000129937509 365907882 /nfs/dbraw/zinc/90/78/82/365907882.db2.gz OICYGSDHTSSDIB-AWEZNQCLSA-N 1 2 299.459 2.031 10 0 CEAELO CC[C@H]1CN(c2nc3c(s2)CCCC3=O)CC[N@@H+]1C ZINC000086441838 179293745 /nfs/dbraw/zinc/29/37/45/179293745.db2.gz UXMZPNALLMLDAK-JTQLQIEISA-N 1 2 279.409 2.193 10 0 CEAELO CC[C@H]1CN(c2nc3c(s2)CCCC3=O)CC[N@H+]1C ZINC000086441838 179293747 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CCN[C@@H](C[N@@H+](C)CC)c1cc(OC)ccc1OC ZINC000043820455 175114023 /nfs/dbraw/zinc/11/40/23/175114023.db2.gz DBELRMHPAPCLBQ-AWEZNQCLSA-N 1 2 266.385 2.306 10 0 CEAELO O[C@@H]1CCCc2cc(OCCn3cc[nH+]c3)ccc21 ZINC000044746468 175242550 /nfs/dbraw/zinc/24/25/50/175242550.db2.gz BZKNCNSAKQUHOG-OAHLLOKOSA-N 1 2 258.321 2.332 10 0 CEAELO CC(C)[N@@H+]1CC[C@@H](C[NH2+]c2ccc(N)c(C(=O)[O-])c2)C1 ZINC000045141363 175316070 /nfs/dbraw/zinc/31/60/70/175316070.db2.gz YSBYAPOUZIPKCH-NSHDSACASA-N 1 2 277.368 2.109 10 0 CEAELO CC(C)[N@H+]1CC[C@@H](C[NH2+]c2ccc(N)c(C(=O)[O-])c2)C1 ZINC000045141363 175316071 /nfs/dbraw/zinc/31/60/71/175316071.db2.gz YSBYAPOUZIPKCH-NSHDSACASA-N 1 2 277.368 2.109 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277343 175347739 /nfs/dbraw/zinc/34/77/39/175347739.db2.gz XQVWRSWDJBALRD-GDBMZVCRSA-N 1 2 282.428 2.484 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277343 175347740 /nfs/dbraw/zinc/34/77/40/175347740.db2.gz XQVWRSWDJBALRD-GDBMZVCRSA-N 1 2 282.428 2.484 10 0 CEAELO CC[N@H+](CCC[C@](C)([NH3+])C(=O)[O-])c1cccc(C)c1 ZINC000045419987 175378103 /nfs/dbraw/zinc/37/81/03/175378103.db2.gz FBLUJGBXEVNJLR-HNNXBMFYSA-N 1 2 264.369 2.404 10 0 CEAELO CC[N@@H+](CCC[C@](C)([NH3+])C(=O)[O-])c1cccc(C)c1 ZINC000045419987 175378104 /nfs/dbraw/zinc/37/81/04/175378104.db2.gz FBLUJGBXEVNJLR-HNNXBMFYSA-N 1 2 264.369 2.404 10 0 CEAELO COCC[NH2+][C@]1(c2nccs2)CCOc2ccccc21 ZINC000053289754 175547216 /nfs/dbraw/zinc/54/72/16/175547216.db2.gz WCRKHJQGONGNAB-OAHLLOKOSA-N 1 2 290.388 2.405 10 0 CEAELO Nc1[nH+]cccc1CC(=O)c1ccc2nccnc2c1 ZINC000070432661 175928077 /nfs/dbraw/zinc/92/80/77/175928077.db2.gz BKAJKCZOQDSJPC-UHFFFAOYSA-N 1 2 264.288 2.032 10 0 CEAELO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc2c(c1)NCC2 ZINC000071102542 176033541 /nfs/dbraw/zinc/03/35/41/176033541.db2.gz AGZKUBRXFOPBRH-UHFFFAOYSA-N 1 2 289.360 2.159 10 0 CEAELO O=C(/C=C/c1ccco1)NCc1cn2cc(F)ccc2[nH+]1 ZINC000071446392 176175332 /nfs/dbraw/zinc/17/53/32/176175332.db2.gz BIGMSLSNFUANDY-GQCTYLIASA-N 1 2 285.278 2.396 10 0 CEAELO Nc1ccc(NC(=O)c2ccc(F)c(F)c2F)c[nH+]1 ZINC000071742250 176258492 /nfs/dbraw/zinc/25/84/92/176258492.db2.gz RXBCWDKUCILSLF-UHFFFAOYSA-N 1 2 267.210 2.333 10 0 CEAELO C[NH2+]CC(=O)OCc1c(C)c(Cl)c(C)cc1OC ZINC000076412970 177021192 /nfs/dbraw/zinc/02/11/92/177021192.db2.gz VBAGYOKCJYDWFR-UHFFFAOYSA-N 1 2 271.744 2.228 10 0 CEAELO C[C@@H](NC(=O)N1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875921 260288562 /nfs/dbraw/zinc/28/85/62/260288562.db2.gz JGVHVTWXHOKBCE-GFCCVEGCSA-N 1 2 270.336 2.349 10 0 CEAELO COC(=O)[C@H]1CC[C@H](c2ccc(Cl)cc2)C[NH2+]1 ZINC000079026423 277399625 /nfs/dbraw/zinc/39/96/25/277399625.db2.gz NFWZPPROMRPKHV-CMPLNLGQSA-N 1 2 253.729 2.349 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccccn1)C2 ZINC000112666278 278075215 /nfs/dbraw/zinc/07/52/15/278075215.db2.gz OIDJXHWYEBYEFC-UHFFFAOYSA-N 1 2 284.363 2.137 10 0 CEAELO Cc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263245870 278957262 /nfs/dbraw/zinc/95/72/62/278957262.db2.gz PGYFMGQZADIDQN-TZMCWYRMSA-N 1 2 294.345 2.308 10 0 CEAELO CC(C)[C@H]1CC[C@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000245514172 280247039 /nfs/dbraw/zinc/24/70/39/280247039.db2.gz PFXTZGFTBVXKBP-JYJNAYRXSA-N 1 2 296.455 2.286 10 0 CEAELO O=C(N[C@H]1C=CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000157906283 289224551 /nfs/dbraw/zinc/22/45/51/289224551.db2.gz JRLMPMUKNWMARL-UONOGXRCSA-N 1 2 274.368 2.166 10 0 CEAELO Cc1csc([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C)n1 ZINC000184144358 321727068 /nfs/dbraw/zinc/72/70/68/321727068.db2.gz TWPNPBTWAWNXNE-SECBINFHSA-N 1 2 277.397 2.308 10 0 CEAELO CC[NH2+][C@H](CCOC1CCCCCC1)C(=O)OC ZINC000062541153 520191293 /nfs/dbraw/zinc/19/12/93/520191293.db2.gz IJTSALQCUSILIW-CYBMUJFWSA-N 1 2 257.374 2.267 10 0 CEAELO CCCNc1snnc1C[N@H+](C)[C@H]1CCSC1 ZINC000050813295 520202941 /nfs/dbraw/zinc/20/29/41/520202941.db2.gz QRYJDUYMSHFBQK-VIFPVBQESA-N 1 2 272.443 2.297 10 0 CEAELO CCCNc1snnc1C[N@@H+](C)[C@H]1CCSC1 ZINC000050813295 520202946 /nfs/dbraw/zinc/20/29/46/520202946.db2.gz QRYJDUYMSHFBQK-VIFPVBQESA-N 1 2 272.443 2.297 10 0 CEAELO CCCC[N@H+](CC(N)=O)Cc1nc(NCC)ccc1Cl ZINC000061638399 520454246 /nfs/dbraw/zinc/45/42/46/520454246.db2.gz DWHHTALKLSLLQL-UHFFFAOYSA-N 1 2 298.818 2.254 10 0 CEAELO CCCC[N@@H+](CC(N)=O)Cc1nc(NCC)ccc1Cl ZINC000061638399 520454253 /nfs/dbraw/zinc/45/42/53/520454253.db2.gz DWHHTALKLSLLQL-UHFFFAOYSA-N 1 2 298.818 2.254 10 0 CEAELO CCCC[N@H+](CC)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069090178 520479126 /nfs/dbraw/zinc/47/91/26/520479126.db2.gz VIXCPOSXRREGIW-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CCCC[N@@H+](CC)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069090178 520479134 /nfs/dbraw/zinc/47/91/34/520479134.db2.gz VIXCPOSXRREGIW-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CCOC(=O)[C@](C)(CCOC1CCC1)[NH2+]C(C)C ZINC000050521610 521319997 /nfs/dbraw/zinc/31/99/97/521319997.db2.gz RGZNAPWMBVOMBI-AWEZNQCLSA-N 1 2 257.374 2.265 10 0 CEAELO CC(C)c1[nH]n(Cc2ccc(F)cc2)c(=O)c1CC[NH3+] ZINC000069506497 519557757 /nfs/dbraw/zinc/55/77/57/519557757.db2.gz BAEFXQRBPRBFFH-ZDUSSCGKSA-N 1 2 277.343 2.145 10 0 CEAELO CCc1[nH]n(Cc2cccc(C)c2)c(=O)c1CC[NH3+] ZINC000069506458 519849230 /nfs/dbraw/zinc/84/92/30/519849230.db2.gz DSFSSIGZIQYCHD-ZDUSSCGKSA-N 1 2 259.353 2.068 10 0 CEAELO CCCc1[nH]n(Cc2ccccc2)c(=O)c1CC[NH3+] ZINC000069506090 519894007 /nfs/dbraw/zinc/89/40/07/519894007.db2.gz DYEZPVBJFUAKDT-ZDUSSCGKSA-N 1 2 259.353 2.150 10 0 CEAELO CCC[NH2+][C@@H](CCOc1ccccc1)C(=O)OCC ZINC000062550053 520005128 /nfs/dbraw/zinc/00/51/28/520005128.db2.gz ZNEZGZSAXLQPBL-AWEZNQCLSA-N 1 2 265.353 2.387 10 0 CEAELO CCC[NH2+][C@@](C[NH+]1CCCCCC1)(C(=O)[O-])C1CC1 ZINC000069095134 520053435 /nfs/dbraw/zinc/05/34/35/520053435.db2.gz AGHRLJHATBLKSU-OAHLLOKOSA-N 1 2 268.401 2.095 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc2c(c1)CCC2)C(=O)OCC ZINC000062545565 520093022 /nfs/dbraw/zinc/09/30/22/520093022.db2.gz ZCLOPMKZTVIZRT-INIZCTEOSA-N 1 2 291.391 2.485 10 0 CEAELO CC[NH2+][C@@H](CCn1nc(C)c(Cl)c1C)C(=O)OCC ZINC000062538147 520097655 /nfs/dbraw/zinc/09/76/55/520097655.db2.gz GEHHESWEZMEHRQ-NSHDSACASA-N 1 2 287.791 2.085 10 0 CEAELO CCC[NH2+][C@](C[N@H+](CC(C)C)C1CC1)(C(=O)[O-])C1CC1 ZINC000069132031 520119896 /nfs/dbraw/zinc/11/98/96/520119896.db2.gz OBRSPBZZLFNMJM-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](CC(C)C)C1CC1)(C(=O)[O-])C1CC1 ZINC000069132031 520119903 /nfs/dbraw/zinc/11/99/03/520119903.db2.gz OBRSPBZZLFNMJM-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CCCNc1cc(CN2C(=O)N[C@@](C)(CC)C2=O)cc[nH+]1 ZINC000052732927 520136518 /nfs/dbraw/zinc/13/65/18/520136518.db2.gz YCIYJKBSDPGAMN-HNNXBMFYSA-N 1 2 290.367 2.124 10 0 CEAELO CC[NH2+][C@@](CN(C)c1ccccc1)(C(=O)OCC)C1CC1 ZINC000069094359 520148533 /nfs/dbraw/zinc/14/85/33/520148533.db2.gz VFRJMCOZBNVLJD-QGZVFWFLSA-N 1 2 290.407 2.444 10 0 CEAELO CCCNc1ccc(CN2C(=O)N[C@](C)(CC)C2=O)c[nH+]1 ZINC000050829138 520154222 /nfs/dbraw/zinc/15/42/22/520154222.db2.gz PDFQULVKDZFNNQ-OAHLLOKOSA-N 1 2 290.367 2.124 10 0 CEAELO CC[NH2+][C@H](CCN(CC)c1ccccc1)C(=O)OC ZINC000062443888 520187567 /nfs/dbraw/zinc/18/75/67/520187567.db2.gz SFPJEQRGSRIZEE-CQSZACIVSA-N 1 2 264.369 2.054 10 0 CEAELO CC[NH2+][C@](CO[C@@H](C)CC)(C(=O)OCC)C1CC1 ZINC000069198273 520248883 /nfs/dbraw/zinc/24/88/83/520248883.db2.gz NHSAJEOSUJQVRB-FZMZJTMJSA-N 1 2 257.374 2.123 10 0 CEAELO CC[NH2+][C@](COc1cc(F)ccc1F)(C(=O)OC)C1CC1 ZINC000069198660 520251002 /nfs/dbraw/zinc/25/10/02/520251002.db2.gz VJVXCEYNIIIPOY-HNNXBMFYSA-N 1 2 299.317 2.275 10 0 CEAELO CCCCOCCO[C@H](C)C[C@](C)([NH2+]CC)C(=O)OC ZINC000068653038 520792496 /nfs/dbraw/zinc/79/24/96/520792496.db2.gz SEOYAQXXGYXCPL-HIFRSBDPSA-N 1 2 289.416 2.140 10 0 CEAELO CCN(CC1CC1)c1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000069238510 520970152 /nfs/dbraw/zinc/97/01/52/520970152.db2.gz PZWWQLLMQCSKCV-UHFFFAOYSA-N 1 2 275.421 2.441 10 0 CEAELO CCOC(=O)[C@@H](CCN(CC)c1ccc(F)cc1)[NH2+]C ZINC000062530366 521058396 /nfs/dbraw/zinc/05/83/96/521058396.db2.gz BPQCWRUXIJDTSR-CQSZACIVSA-N 1 2 282.359 2.193 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccc(F)cc1)[NH2+]C1CC1 ZINC000062549970 521059941 /nfs/dbraw/zinc/05/99/41/521059941.db2.gz LECKOHFDRCVBOO-CQSZACIVSA-N 1 2 281.327 2.278 10 0 CEAELO CCOC(=O)[C@@H](CCn1cnc2ccccc21)[NH2+]C1CC1 ZINC000062535426 521063023 /nfs/dbraw/zinc/06/30/23/521063023.db2.gz RWLABLVYUHKFBX-CQSZACIVSA-N 1 2 287.363 2.110 10 0 CEAELO CCOC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000049369199 521211350 /nfs/dbraw/zinc/21/13/50/521211350.db2.gz SXVCRMDIDAOAGW-STQMWFEESA-N 1 2 287.363 2.475 10 0 CEAELO CCOC(=O)[C@H](CCOc1cccc(OC)c1)[NH2+]C(C)C ZINC000062548527 521247836 /nfs/dbraw/zinc/24/78/36/521247836.db2.gz OLAIFSADXQFING-HNNXBMFYSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccc(OC)cc1)[NH2+]C(C)C ZINC000062550659 521248008 /nfs/dbraw/zinc/24/80/08/521248008.db2.gz WOYGQRLRGFWUEG-HNNXBMFYSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@H](CO[C@@H]1CCCc2ccccc21)[NH2+]C ZINC000045502597 521253116 /nfs/dbraw/zinc/25/31/16/521253116.db2.gz CZUQUCMZJDZHFE-LSDHHAIUSA-N 1 2 277.364 2.232 10 0 CEAELO CCN(C[C@]([NH2+]C)(C(=O)OC)C1CC1)c1ccccc1C ZINC000069089968 521276138 /nfs/dbraw/zinc/27/61/38/521276138.db2.gz FWKDMBRIFBKNHM-QGZVFWFLSA-N 1 2 290.407 2.363 10 0 CEAELO CCC(C)(C)[N@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069446740 521304206 /nfs/dbraw/zinc/30/42/06/521304206.db2.gz NZRBVDNVJHLNKQ-OAHLLOKOSA-N 1 2 268.401 2.092 10 0 CEAELO CCC(C)(C)[N@@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069446740 521304210 /nfs/dbraw/zinc/30/42/10/521304210.db2.gz NZRBVDNVJHLNKQ-OAHLLOKOSA-N 1 2 268.401 2.092 10 0 CEAELO CCOC(=O)[C@](C)(CCO[C@@H](C)CC)[NH2+]C1CC1 ZINC000045545727 521320633 /nfs/dbraw/zinc/32/06/33/521320633.db2.gz MOHYMIINTWXXTJ-FZMZJTMJSA-N 1 2 257.374 2.265 10 0 CEAELO CCOC(=O)[C@](C)(CCOc1cccc(COC)c1)[NH2+]C ZINC000069508421 521320747 /nfs/dbraw/zinc/32/07/47/521320747.db2.gz HAVNABHIJNIQGN-INIZCTEOSA-N 1 2 295.379 2.143 10 0 CEAELO CCNC(=O)c1ccc(C)c(NCc2c[nH+]c(C)[nH]2)c1 ZINC000054822100 521747422 /nfs/dbraw/zinc/74/74/22/521747422.db2.gz AFXJQJLRFBVWNJ-UHFFFAOYSA-N 1 2 272.352 2.388 10 0 CEAELO CCNC(=O)c1ccc(C)c(NCc2c[nH]c(C)[nH+]2)c1 ZINC000054822100 521747423 /nfs/dbraw/zinc/74/74/23/521747423.db2.gz AFXJQJLRFBVWNJ-UHFFFAOYSA-N 1 2 272.352 2.388 10 0 CEAELO CNC(=O)c1cc(NCc2c[nH+]c(C)[nH]2)ccc1Cl ZINC000054822337 521784498 /nfs/dbraw/zinc/78/44/98/521784498.db2.gz ROPAYWOUMKCMKS-UHFFFAOYSA-N 1 2 278.743 2.343 10 0 CEAELO CNC(=O)c1cc(NCc2c[nH]c(C)[nH+]2)ccc1Cl ZINC000054822337 521784504 /nfs/dbraw/zinc/78/45/04/521784504.db2.gz ROPAYWOUMKCMKS-UHFFFAOYSA-N 1 2 278.743 2.343 10 0 CEAELO COC(=O)c1cccc(NCc2c[nH+]c(C)[nH]2)c1C ZINC000054821921 522240259 /nfs/dbraw/zinc/24/02/59/522240259.db2.gz CRKGFEDEOANBIK-UHFFFAOYSA-N 1 2 259.309 2.425 10 0 CEAELO COC(=O)c1cccc(NCc2c[nH]c(C)[nH+]2)c1C ZINC000054821921 522240269 /nfs/dbraw/zinc/24/02/69/522240269.db2.gz CRKGFEDEOANBIK-UHFFFAOYSA-N 1 2 259.309 2.425 10 0 CEAELO C[NH2+][C@@H](CCOc1cccc2ccccc21)C(=O)OC ZINC000062550521 522348872 /nfs/dbraw/zinc/34/88/72/522348872.db2.gz USBCWRJKAXKYGR-AWEZNQCLSA-N 1 2 273.332 2.370 10 0 CEAELO C[NH2+][C@@H](CCOc1cccc(C(C)C)c1)C(=O)OC ZINC000062548051 522349895 /nfs/dbraw/zinc/34/98/95/522349895.db2.gz JDGHCYGGYWULKF-AWEZNQCLSA-N 1 2 265.353 2.340 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)Oc1ccc(OC)cc1)C(=O)OC ZINC000068656849 522419494 /nfs/dbraw/zinc/41/94/94/522419494.db2.gz ZQNZGRZJLRZVFY-NHYWBVRUSA-N 1 2 281.352 2.004 10 0 CEAELO CN(CC(C)(C)C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061541226 522548341 /nfs/dbraw/zinc/54/83/41/522548341.db2.gz COFUBVJZNBWLLI-UHFFFAOYSA-N 1 2 280.763 2.193 10 0 CEAELO CNc1cc(COc2ccc(S(C)(=O)=O)cc2)cc[nH+]1 ZINC000052755530 522567356 /nfs/dbraw/zinc/56/73/56/522567356.db2.gz YVFYKBKWSLQNDL-UHFFFAOYSA-N 1 2 292.360 2.106 10 0 CEAELO CCc1[nH+]ccn1-c1nc(Cl)nc(OC(C)C)n1 ZINC000061543053 522579478 /nfs/dbraw/zinc/57/94/78/522579478.db2.gz LZVJIAXBEHBQHD-UHFFFAOYSA-N 1 2 267.720 2.060 10 0 CEAELO CNc1ccc(CN2CC(=O)Nc3ccccc32)c[nH+]1 ZINC000050812444 522607868 /nfs/dbraw/zinc/60/78/68/522607868.db2.gz AHOSACLRQUMLNY-UHFFFAOYSA-N 1 2 268.320 2.082 10 0 CEAELO COCC1CC[NH+](c2cc(C)ccc2C(N)=S)CC1 ZINC000070084498 522939070 /nfs/dbraw/zinc/93/90/70/522939070.db2.gz UCCXYCNGHGRRKK-UHFFFAOYSA-N 1 2 278.421 2.492 10 0 CEAELO CN(Cc1ccc(F)cc1)c1cc[nH+]c(C(N)=S)c1 ZINC000061812748 523254323 /nfs/dbraw/zinc/25/43/23/523254323.db2.gz MQNDUASWKXLNNY-UHFFFAOYSA-N 1 2 275.352 2.491 10 0 CEAELO CCn1cc[nH+]c1CN1C(=O)C(=O)c2ccc(C)c(C)c21 ZINC000054743660 523527702 /nfs/dbraw/zinc/52/77/02/523527702.db2.gz PFXBCHVKTGBTCP-UHFFFAOYSA-N 1 2 283.331 2.249 10 0 CEAELO CCc1c(C)nn([C@@H](C)C[C@](C)([NH2+]C)C(=O)OC)c1C ZINC000068649197 523716072 /nfs/dbraw/zinc/71/60/72/523716072.db2.gz ITCSHQLZWXLRPL-BONVTDFDSA-N 1 2 281.400 2.165 10 0 CEAELO COC(=O)[C@@](C)(C[C@H](C)Sc1ncccn1)[NH2+]C1CC1 ZINC000068638189 523817896 /nfs/dbraw/zinc/81/78/96/523817896.db2.gz VHBZZYRWBXUCPW-IINYFYTJSA-N 1 2 295.408 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ZUPUPWXSCUKFGW-ZDUSSCGKSA-N 1 2 287.363 2.248 10 0 CEAELO CSc1cccc(NC(=O)c2cccc(NN)[nH+]2)c1 ZINC000051089154 526137166 /nfs/dbraw/zinc/13/71/66/526137166.db2.gz RVUVLOCAPSAIOD-UHFFFAOYSA-N 1 2 274.349 2.341 10 0 CEAELO Cc1ccc(C(=O)[O-])c(N[C@H](CC(C)C)C[NH+](C)C)[nH+]1 ZINC000054530285 526233053 /nfs/dbraw/zinc/23/30/53/526233053.db2.gz QAPKPBMSSYLTQN-GFCCVEGCSA-N 1 2 279.384 2.476 10 0 CEAELO Cc1csc(CNc2cc(C(N)=S)cc[nH+]2)n1 ZINC000049534769 526361718 /nfs/dbraw/zinc/36/17/18/526361718.db2.gz XTFUCERDXNEBGO-UHFFFAOYSA-N 1 2 264.379 2.093 10 0 CEAELO Cc1[nH+]c(-c2ccccc2OC(F)(F)F)c(N)n1N ZINC000052838383 526609224 /nfs/dbraw/zinc/60/92/24/526609224.db2.gz QHASNVAOKVWANU-UHFFFAOYSA-N 1 2 272.230 2.053 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccc2c(c1)NC(=O)CS2 ZINC000054795649 527215574 /nfs/dbraw/zinc/21/55/74/527215574.db2.gz XVFSEHHULFQPRR-UHFFFAOYSA-N 1 2 274.349 2.374 10 0 CEAELO Nc1ccc(NC(=O)c2cccc3ncccc32)c[nH+]1 ZINC000061680252 527494338 /nfs/dbraw/zinc/49/43/38/527494338.db2.gz KPWRIYIHGGWEFL-UHFFFAOYSA-N 1 2 264.288 2.464 10 0 CEAELO Nc1ccc2c(c1)[nH+]cn2-c1ccc2c(c1)OCO2 ZINC000052852139 527510143 /nfs/dbraw/zinc/51/01/43/527510143.db2.gz CZSFKFFNXWPPOZ-UHFFFAOYSA-N 1 2 253.261 2.336 10 0 CEAELO O=C(c1ccnc(Cl)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177745386 625863338 /nfs/dbraw/zinc/86/33/38/625863338.db2.gz JYKVZCNSPNIHAX-GFCCVEGCSA-N 1 2 290.754 2.236 10 0 CEAELO CC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000111690119 627827678 /nfs/dbraw/zinc/82/76/78/627827678.db2.gz CPGCKZTWRHNCKD-GFCCVEGCSA-N 1 2 278.327 2.065 10 0 CEAELO CC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000111690119 627827680 /nfs/dbraw/zinc/82/76/80/627827680.db2.gz CPGCKZTWRHNCKD-GFCCVEGCSA-N 1 2 278.327 2.065 10 0 CEAELO CCCCC[C@@H](CC)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000179770045 628061098 /nfs/dbraw/zinc/06/10/98/628061098.db2.gz HZFWZWWDFOQXKA-LSDHHAIUSA-N 1 2 284.444 2.430 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(Cc2cccnc2)C1 ZINC000888102684 628871025 /nfs/dbraw/zinc/87/10/25/628871025.db2.gz GBDWWTNZJRPXLV-CABCVRRESA-N 1 2 286.379 2.384 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(CN1CCSC1=O)C2 ZINC000153030327 640388190 /nfs/dbraw/zinc/38/81/90/640388190.db2.gz ALPDMHHIYSXPMT-UHFFFAOYSA-N 1 2 294.424 2.028 10 0 CEAELO Cn1cc([C@H]2CC[N@H+](Cn3ccc(C(F)(F)F)n3)C2)cn1 ZINC000116258725 645236446 /nfs/dbraw/zinc/23/64/46/645236446.db2.gz DJXJBVODBVPULW-JTQLQIEISA-N 1 2 299.300 2.082 10 0 CEAELO Cn1cc([C@H]2CC[N@@H+](Cn3ccc(C(F)(F)F)n3)C2)cn1 ZINC000116258725 645236453 /nfs/dbraw/zinc/23/64/53/645236453.db2.gz DJXJBVODBVPULW-JTQLQIEISA-N 1 2 299.300 2.082 10 0 CEAELO COC(=O)[C@@H](c1ccccc1C(F)(F)F)[NH+](C)C ZINC000095532688 185004566 /nfs/dbraw/zinc/00/45/66/185004566.db2.gz RKLWQGYAZAFHDV-SNVBAGLBSA-N 1 2 261.243 2.481 10 0 CEAELO Nc1cn(Cc2ccc(Br)s2)c[nH+]1 ZINC000725249063 539194065 /nfs/dbraw/zinc/19/40/65/539194065.db2.gz AWHUDRLADJLFOC-UHFFFAOYSA-N 1 2 258.144 2.338 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)Cc1ccccc1)C2 ZINC000220573181 539258180 /nfs/dbraw/zinc/25/81/80/539258180.db2.gz MFYYSUIUFNNPKC-CQSZACIVSA-N 1 2 283.375 2.482 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)Cc1ccccc1)CC2 ZINC000220573181 539258181 /nfs/dbraw/zinc/25/81/81/539258181.db2.gz MFYYSUIUFNNPKC-CQSZACIVSA-N 1 2 283.375 2.482 10 0 CEAELO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCO[C@H]2C)c1 ZINC000130627994 344354058 /nfs/dbraw/zinc/35/40/58/344354058.db2.gz FWDDGENOTSOSCD-JSGCOSHPSA-N 1 2 285.347 2.088 10 0 CEAELO O=C1CC[C@@H]2CC[C@@H](c3[nH+]cc4c(Cl)nccn43)CN12 ZINC000145517345 344409139 /nfs/dbraw/zinc/40/91/39/344409139.db2.gz NSODZPCHLQEGBD-ZJUUUORDSA-N 1 2 290.754 2.251 10 0 CEAELO O=C(C[N@H+]1CCC[C@@H]1CCCO)Nc1c(F)cccc1F ZINC000052762921 362474291 /nfs/dbraw/zinc/47/42/91/362474291.db2.gz HSIJPWRIEMZNNM-LLVKDONJSA-N 1 2 298.333 2.140 10 0 CEAELO O=C(C[N@@H+]1CCC[C@@H]1CCCO)Nc1c(F)cccc1F ZINC000052762921 362474293 /nfs/dbraw/zinc/47/42/93/362474293.db2.gz HSIJPWRIEMZNNM-LLVKDONJSA-N 1 2 298.333 2.140 10 0 CEAELO Cc1cccnc1CNc1cc(N[C@@H]2CCCOC2)[nH+]cn1 ZINC000328654439 344758241 /nfs/dbraw/zinc/75/82/41/344758241.db2.gz XKVARQVSKZTWJI-CYBMUJFWSA-N 1 2 299.378 2.383 10 0 CEAELO Cc1cccnc1CNc1cc(N[C@@H]2CCCOC2)nc[nH+]1 ZINC000328654439 344758242 /nfs/dbraw/zinc/75/82/42/344758242.db2.gz XKVARQVSKZTWJI-CYBMUJFWSA-N 1 2 299.378 2.383 10 0 CEAELO Cc1cc(C(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)c(C)o1 ZINC000328626193 344756417 /nfs/dbraw/zinc/75/64/17/344756417.db2.gz LLZPIIBYNGNXEH-CYBMUJFWSA-N 1 2 287.363 2.428 10 0 CEAELO CCCCCCc1nc(NC(C)C)nc(NC(C)C)[nH+]1 ZINC000584615452 344966024 /nfs/dbraw/zinc/96/60/24/344966024.db2.gz QCITVLNHKUDEDV-UHFFFAOYSA-N 1 2 279.432 2.479 10 0 CEAELO CCOC(=O)C[C@]1(c2ccccc2)[NH2+]CCS1 ZINC000584629979 344969115 /nfs/dbraw/zinc/96/91/15/344969115.db2.gz CTHANBMPDBYKOJ-ZDUSSCGKSA-N 1 2 251.351 2.129 10 0 CEAELO C[C@@H]1C[S@](=O)C[C@H](c2ccc(F)c(Cl)c2)[NH2+]1 ZINC000085311676 179013159 /nfs/dbraw/zinc/01/31/59/179013159.db2.gz FKKIUBHOHFCZQC-VRSPKCAYSA-N 1 2 261.749 2.261 10 0 CEAELO N[NH2+][C@H](CC[C@@H]1CCCO1)[C@@H]1CCOC2(CCC2)C1 ZINC000097761644 185663959 /nfs/dbraw/zinc/66/39/59/185663959.db2.gz UJRYIGPHNXBTON-HZSPNIEDSA-N 1 2 268.401 2.127 10 0 CEAELO COC(=O)C(C)(C)[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000085400512 179051787 /nfs/dbraw/zinc/05/17/87/179051787.db2.gz VJNIHHKYOCSNJT-NWDGAFQWSA-N 1 2 271.401 2.367 10 0 CEAELO COC(=O)C(C)(C)[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000085400513 179052025 /nfs/dbraw/zinc/05/20/25/179052025.db2.gz VJNIHHKYOCSNJT-RYUDHWBXSA-N 1 2 271.401 2.367 10 0 CEAELO Cc1[nH+]c([C@H]2C[C@H]2C)nc(N)c1I ZINC000085459593 179068794 /nfs/dbraw/zinc/06/87/94/179068794.db2.gz TUEUIALHLQKBBG-XINAWCOVSA-N 1 2 289.120 2.095 10 0 CEAELO CCC(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085682166 179113771 /nfs/dbraw/zinc/11/37/71/179113771.db2.gz HXJGDZLMEMZKAN-CQSZACIVSA-N 1 2 260.381 2.172 10 0 CEAELO CCC(=O)[C@@H](C)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000085682166 179113773 /nfs/dbraw/zinc/11/37/73/179113773.db2.gz HXJGDZLMEMZKAN-CQSZACIVSA-N 1 2 260.381 2.172 10 0 CEAELO CCC(=O)[C@H](C)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000085682099 179114142 /nfs/dbraw/zinc/11/41/42/179114142.db2.gz VKMPPXIYAOPLMD-DZGCQCFKSA-N 1 2 260.381 2.343 10 0 CEAELO CCC(=O)[C@H](C)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000085682099 179114144 /nfs/dbraw/zinc/11/41/44/179114144.db2.gz VKMPPXIYAOPLMD-DZGCQCFKSA-N 1 2 260.381 2.343 10 0 CEAELO CCC(=O)[C@H](C)[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000085682099 179114146 /nfs/dbraw/zinc/11/41/46/179114146.db2.gz VKMPPXIYAOPLMD-DZGCQCFKSA-N 1 2 260.381 2.343 10 0 CEAELO CCC(=O)[C@H](C)[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000085682099 179114148 /nfs/dbraw/zinc/11/41/48/179114148.db2.gz VKMPPXIYAOPLMD-DZGCQCFKSA-N 1 2 260.381 2.343 10 0 CEAELO COC(=O)[C@H](CN1C[C@@H](C)Cc2ccccc21)[NH2+]C(C)C ZINC000112977836 136566781 /nfs/dbraw/zinc/56/67/81/136566781.db2.gz YHNSCMRZESFQRM-ZFWWWQNUSA-N 1 2 290.407 2.225 10 0 CEAELO CC(C)c1nc(C[NH+](C)C)[nH]c(=O)c1Br ZINC000085792290 179171754 /nfs/dbraw/zinc/17/17/54/179171754.db2.gz UAHSNUIBPYOYBJ-UHFFFAOYSA-N 1 2 274.162 2.130 10 0 CEAELO C[C@H]1[C@H]([NH2+]c2cc3c(cc2N)OCC(=O)N3)CC[C@@H]1C ZINC000086070613 179224573 /nfs/dbraw/zinc/22/45/73/179224573.db2.gz KKXZSNZTBDRNKA-IQJOONFLSA-N 1 2 275.352 2.446 10 0 CEAELO COC(=O)[C@@H](NC1=[NH+]C[C@H](C)CS1)c1ccccc1 ZINC000086633242 179315112 /nfs/dbraw/zinc/31/51/12/179315112.db2.gz ZLHUAGJEDIKLOP-JQWIXIFHSA-N 1 2 278.377 2.229 10 0 CEAELO CC(C)c1csc([C@@]2([NH3+])CCC[C@@H]2S(C)(=O)=O)n1 ZINC000086679299 179319469 /nfs/dbraw/zinc/31/94/69/179319469.db2.gz AFGAGKRJPUNGFS-CMPLNLGQSA-N 1 2 288.438 2.018 10 0 CEAELO NN=c1[nH]cc(C[N@H+](Cc2ccco2)C2CC2)s1 ZINC000086767741 179325897 /nfs/dbraw/zinc/32/58/97/179325897.db2.gz WJHUNOYDSYZIDF-UHFFFAOYSA-N 1 2 264.354 2.186 10 0 CEAELO NN=c1[nH]cc(C[N@@H+](Cc2ccco2)C2CC2)s1 ZINC000086767741 179325898 /nfs/dbraw/zinc/32/58/98/179325898.db2.gz WJHUNOYDSYZIDF-UHFFFAOYSA-N 1 2 264.354 2.186 10 0 CEAELO Cc1c[nH+]c(N)c(C(=O)[C@@H]2CSCCS2)c1 ZINC000086982421 179373682 /nfs/dbraw/zinc/37/36/82/179373682.db2.gz MMDZDBNIDIUDEC-VIFPVBQESA-N 1 2 254.380 2.004 10 0 CEAELO CC(C)CCC[C@H](C)NC(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066404371 362864398 /nfs/dbraw/zinc/86/43/98/362864398.db2.gz QSGDPHRWOSLDJP-RRFJBIMHSA-N 1 2 284.444 2.427 10 0 CEAELO CCn1ccnc1[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000086998600 179377988 /nfs/dbraw/zinc/37/79/88/179377988.db2.gz KFOLAASHSWGKIU-NSHDSACASA-N 1 2 255.243 2.368 10 0 CEAELO CCCC(CCC)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000125784958 282603074 /nfs/dbraw/zinc/60/30/74/282603074.db2.gz PLFZDRYZGKSZLQ-GDBMZVCRSA-N 1 2 296.455 2.382 10 0 CEAELO CCOC(=O)N1CC[NH2+][C@@H](c2ccc3ccccc3n2)C1 ZINC000616632756 348541144 /nfs/dbraw/zinc/54/11/44/348541144.db2.gz AGSXJASCWXGVSF-OAHLLOKOSA-N 1 2 285.347 2.338 10 0 CEAELO CC(C)(C)OC(=O)N1CCO[C@H](Nc2cccc[nH+]2)C1 ZINC000616643053 348544536 /nfs/dbraw/zinc/54/45/36/348544536.db2.gz RQNSUIRIPIXNCR-LBPRGKRZSA-N 1 2 279.340 2.087 10 0 CEAELO Cc1nc(CNc2nc(N)[nH+]cc2Cl)cs1 ZINC000087823466 179494295 /nfs/dbraw/zinc/49/42/95/179494295.db2.gz KINSHQZFOCOQTF-UHFFFAOYSA-N 1 2 255.734 2.089 10 0 CEAELO CC(=O)N1c2ccccc2NC[C@@H]1c1ccc[nH+]c1N ZINC000616585749 348526851 /nfs/dbraw/zinc/52/68/51/348526851.db2.gz NSKZMWRCEBOTCL-CQSZACIVSA-N 1 2 268.320 2.184 10 0 CEAELO CC(C)(C)OC(=O)N1CCCOC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616599858 348530210 /nfs/dbraw/zinc/53/02/10/348530210.db2.gz RMEPVYQFXNRDMO-GFCCVEGCSA-N 1 2 293.367 2.193 10 0 CEAELO CCN1C[C@@H](c2cc[nH+]c(N)c2)Nc2ccccc21 ZINC000616680308 348559098 /nfs/dbraw/zinc/55/90/98/348559098.db2.gz AVCMRUVSNVXJIV-ZDUSSCGKSA-N 1 2 254.337 2.487 10 0 CEAELO CC(=O)N1C[C@@H](Nc2cccc[nH+]2)Cc2ccccc21 ZINC000616689280 348561368 /nfs/dbraw/zinc/56/13/68/348561368.db2.gz DYTLFSAVSDYXBL-AWEZNQCLSA-N 1 2 267.332 2.471 10 0 CEAELO CC(=O)N1C[C@@H](c2ccc[nH+]c2N)Cc2ccccc21 ZINC000616689715 348561455 /nfs/dbraw/zinc/56/14/55/348561455.db2.gz LKMBZSLPEYWZMT-ZDUSSCGKSA-N 1 2 267.332 2.357 10 0 CEAELO NC(=O)c1ccc(F)c(NCc2cn3ccccc3[nH+]2)c1 ZINC000088627136 179643671 /nfs/dbraw/zinc/64/36/71/179643671.db2.gz OVJGWYHRRXDISU-UHFFFAOYSA-N 1 2 284.294 2.184 10 0 CEAELO CCOC(=O)[C@](C)(C[C@H](C)O[C@@H](C)C(F)(F)F)[NH2+]C ZINC000090674287 180021596 /nfs/dbraw/zinc/02/15/96/180021596.db2.gz AVUCRYDHVRAVPL-QXEWZRGKSA-N 1 2 285.306 2.274 10 0 CEAELO COC(=O)[C@](CO[C@@H](C)C(F)(F)F)([NH2+]C1CC1)C1CC1 ZINC000090674224 180021800 /nfs/dbraw/zinc/02/18/00/180021800.db2.gz YFVVJRZDWKTHDB-QPUJVOFHSA-N 1 2 295.301 2.028 10 0 CEAELO CC(C)n1c[nH+]cc1Cn1cc(Br)ccc1=O ZINC000090764611 180036980 /nfs/dbraw/zinc/03/69/80/180036980.db2.gz SHWFNQKEZHRPOO-UHFFFAOYSA-N 1 2 296.168 2.437 10 0 CEAELO CC[N@@H+](CC(=O)OC)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900839 180058646 /nfs/dbraw/zinc/05/86/46/180058646.db2.gz CMTLWWJPXILKSC-LBPRGKRZSA-N 1 2 283.755 2.138 10 0 CEAELO CC[N@H+](CC(=O)OC)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900839 180058648 /nfs/dbraw/zinc/05/86/48/180058648.db2.gz CMTLWWJPXILKSC-LBPRGKRZSA-N 1 2 283.755 2.138 10 0 CEAELO CC[NH2+]Cc1cnn(C[C@H]2Cc3cc(C)ccc3O2)c1 ZINC000090901924 180060066 /nfs/dbraw/zinc/06/00/66/180060066.db2.gz MECXUBLOFYWWJL-OAHLLOKOSA-N 1 2 271.364 2.305 10 0 CEAELO CCCn1ccc(C[NH2+][C@@H](C(=O)OC)C(C)C)c1 ZINC000091010176 180086439 /nfs/dbraw/zinc/08/64/39/180086439.db2.gz ITWPNWYBZHOCJZ-CYBMUJFWSA-N 1 2 252.358 2.185 10 0 CEAELO CC(C)n1c[nH+]cc1[C@H](Nc1cccc(F)c1)C(N)=O ZINC000091272593 180118083 /nfs/dbraw/zinc/11/80/83/180118083.db2.gz QURRLRMNBPMZFU-ZDUSSCGKSA-N 1 2 276.315 2.242 10 0 CEAELO CC[NH2+][C@H](c1nccn1C)c1ccncc1Cl ZINC000091464129 180162380 /nfs/dbraw/zinc/16/23/80/180162380.db2.gz KAFYTDXJFOFRMR-NSHDSACASA-N 1 2 250.733 2.167 10 0 CEAELO Cc1[nH]c2ccc(CN3C[C@@]4(CCOC4)CCC3=O)cc2[nH+]1 ZINC000091563385 180193004 /nfs/dbraw/zinc/19/30/04/180193004.db2.gz YUIQRTJJOWHXHR-KRWDZBQOSA-N 1 2 299.374 2.400 10 0 CEAELO Cc1[nH]c2cc(CN3C[C@@]4(CCOC4)CCC3=O)ccc2[nH+]1 ZINC000091563385 180193005 /nfs/dbraw/zinc/19/30/05/180193005.db2.gz YUIQRTJJOWHXHR-KRWDZBQOSA-N 1 2 299.374 2.400 10 0 CEAELO CC(C)([C@@H](O)Cc1ccccc1Cl)[NH+]1CCOCC1 ZINC000091565779 180193197 /nfs/dbraw/zinc/19/31/97/180193197.db2.gz MENYMSCZDSWEMU-AWEZNQCLSA-N 1 2 283.799 2.354 10 0 CEAELO Cc1ccc(CC(=O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000091565548 180193769 /nfs/dbraw/zinc/19/37/69/180193769.db2.gz SMVXOPMHODQFHT-UHFFFAOYSA-N 1 2 261.365 2.217 10 0 CEAELO C[N@@H+]1CCO[C@@H](c2nc(-c3ccccc3N)cs2)C1 ZINC000091722365 180240458 /nfs/dbraw/zinc/24/04/58/180240458.db2.gz KPDHQAGLXBOHKN-CYBMUJFWSA-N 1 2 275.377 2.395 10 0 CEAELO C[N@H+]1CCO[C@@H](c2nc(-c3ccccc3N)cs2)C1 ZINC000091722365 180240459 /nfs/dbraw/zinc/24/04/59/180240459.db2.gz KPDHQAGLXBOHKN-CYBMUJFWSA-N 1 2 275.377 2.395 10 0 CEAELO C[C@H](O)c1cc(Cl)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092059016 180315513 /nfs/dbraw/zinc/31/55/13/180315513.db2.gz AHIMNNAASNBTAN-JQWIXIFHSA-N 1 2 285.771 2.103 10 0 CEAELO C[C@H](O)c1cc(Cl)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092059016 180315515 /nfs/dbraw/zinc/31/55/15/180315515.db2.gz AHIMNNAASNBTAN-JQWIXIFHSA-N 1 2 285.771 2.103 10 0 CEAELO CC[N@@H+]1CCO[C@H](CSc2nc3ccc(N)cc3o2)C1 ZINC000092061133 180315598 /nfs/dbraw/zinc/31/55/98/180315598.db2.gz OFJSXUSSWBTSNG-NSHDSACASA-N 1 2 293.392 2.223 10 0 CEAELO CC[N@H+]1CCO[C@H](CSc2nc3ccc(N)cc3o2)C1 ZINC000092061133 180315600 /nfs/dbraw/zinc/31/56/00/180315600.db2.gz OFJSXUSSWBTSNG-NSHDSACASA-N 1 2 293.392 2.223 10 0 CEAELO COC(C)(C)c1noc([C@@](C)([NH3+])c2ccccc2)n1 ZINC000092137995 180333798 /nfs/dbraw/zinc/33/37/98/180333798.db2.gz GUHYHYLTUMJIOJ-AWEZNQCLSA-N 1 2 261.325 2.173 10 0 CEAELO COC(C)(C)c1noc([C@H]2[NH2+]CCc3ccccc32)n1 ZINC000092137654 180333814 /nfs/dbraw/zinc/33/38/14/180333814.db2.gz TUWJHMMAMJPUEC-LBPRGKRZSA-N 1 2 273.336 2.186 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)CSc1ccccc1 ZINC000092210325 180344857 /nfs/dbraw/zinc/34/48/57/180344857.db2.gz NNZAPJODWVSJRN-UHFFFAOYSA-N 1 2 259.334 2.395 10 0 CEAELO CNC(=O)c1ccc(NCc2cn3ccccc3[nH+]2)cc1 ZINC000105861860 186079514 /nfs/dbraw/zinc/07/95/14/186079514.db2.gz HJGIQNIXKUKWLT-UHFFFAOYSA-N 1 2 280.331 2.306 10 0 CEAELO CC1=NN(c2ccc(C)c(Cl)c2)C(=O)[C@@H]1CC[NH3+] ZINC000092319656 180361693 /nfs/dbraw/zinc/36/16/93/180361693.db2.gz HLQGSAWWYFZBRN-LLVKDONJSA-N 1 2 265.744 2.336 10 0 CEAELO CC1=NN(c2cccc(Cl)c2)C(=O)[C@@H]1CC[NH3+] ZINC000092319718 180361712 /nfs/dbraw/zinc/36/17/12/180361712.db2.gz VURMZKWMGYKIDL-LLVKDONJSA-N 1 2 251.717 2.028 10 0 CEAELO CCNc1cccc(CSCC(=O)OCC)[nH+]1 ZINC000092383015 180372455 /nfs/dbraw/zinc/37/24/55/180372455.db2.gz SDXHCBSSHJTXCY-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO O=c1c2ccccc2[nH]c(=S)n1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000105988598 186096934 /nfs/dbraw/zinc/09/69/34/186096934.db2.gz DCLKZQQEHLESFA-NSHDSACASA-N 1 2 287.388 2.094 10 0 CEAELO O=c1c2ccccc2[nH]c(=S)n1[C@H]1CC[N@H+](C2CC2)C1 ZINC000105988598 186096936 /nfs/dbraw/zinc/09/69/36/186096936.db2.gz DCLKZQQEHLESFA-NSHDSACASA-N 1 2 287.388 2.094 10 0 CEAELO O=c1c2ccccc2[nH]c(=S)n1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000105988595 186096977 /nfs/dbraw/zinc/09/69/77/186096977.db2.gz DCLKZQQEHLESFA-LLVKDONJSA-N 1 2 287.388 2.094 10 0 CEAELO O=c1c2ccccc2[nH]c(=S)n1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000105988595 186096978 /nfs/dbraw/zinc/09/69/78/186096978.db2.gz DCLKZQQEHLESFA-LLVKDONJSA-N 1 2 287.388 2.094 10 0 CEAELO Cc1cc(NC(=O)Cc2ccc(C(N)=S)cc2)cc[nH+]1 ZINC000092350127 180367927 /nfs/dbraw/zinc/36/79/27/180367927.db2.gz BQXOBWDXPRSBPH-UHFFFAOYSA-N 1 2 285.372 2.205 10 0 CEAELO Clc1ccccc1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105888763 186084858 /nfs/dbraw/zinc/08/48/58/186084858.db2.gz CERUUMUCJGOUQA-AWEZNQCLSA-N 1 2 291.782 2.438 10 0 CEAELO Clc1ccccc1C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105888763 186084859 /nfs/dbraw/zinc/08/48/59/186084859.db2.gz CERUUMUCJGOUQA-AWEZNQCLSA-N 1 2 291.782 2.438 10 0 CEAELO COc1cccc(N(C)Cc2cc(NN)cc[nH+]2)c1 ZINC000092421090 180382293 /nfs/dbraw/zinc/38/22/93/180382293.db2.gz PBSKHGCTYMAACM-UHFFFAOYSA-N 1 2 258.325 2.012 10 0 CEAELO CC(C)=CC[N@H+]1C[C@@H](C)O[C@@H](c2nc(C)no2)C1 ZINC000625907445 350597798 /nfs/dbraw/zinc/59/77/98/350597798.db2.gz WXXVQQHKXMJRFA-ZYHUDNBSSA-N 1 2 251.330 2.106 10 0 CEAELO CC(C)=CC[N@@H+]1C[C@@H](C)O[C@@H](c2nc(C)no2)C1 ZINC000625907445 350597802 /nfs/dbraw/zinc/59/78/02/350597802.db2.gz WXXVQQHKXMJRFA-ZYHUDNBSSA-N 1 2 251.330 2.106 10 0 CEAELO Cc1[nH+]c2c(ccc(N)c2C(=O)c2ccccc2)n1CCO ZINC000110259841 186289815 /nfs/dbraw/zinc/28/98/15/186289815.db2.gz BYSIHBFHORBMLI-UHFFFAOYSA-N 1 2 295.342 2.150 10 0 CEAELO CCc1nc(COc2ccccc2)[nH+]c(NN)c1C ZINC000110468594 186298106 /nfs/dbraw/zinc/29/81/06/186298106.db2.gz SHZLFXNJRPGXJP-UHFFFAOYSA-N 1 2 258.325 2.212 10 0 CEAELO CCOC(=O)[C@@](C)(CCSc1cnccn1)[NH2+]C1CC1 ZINC000110914944 186332517 /nfs/dbraw/zinc/33/25/17/186332517.db2.gz MNHBXUWOKUOSJU-CQSZACIVSA-N 1 2 295.408 2.033 10 0 CEAELO C[C@H]1CN(C(=O)c2cc3cc(N)ccc3s2)CC[N@@H+]1C ZINC000110699799 186313694 /nfs/dbraw/zinc/31/36/94/186313694.db2.gz ZZFSRJPZZYCUIL-JTQLQIEISA-N 1 2 289.404 2.260 10 0 CEAELO C[C@H]1CN(C(=O)c2cc3cc(N)ccc3s2)CC[N@H+]1C ZINC000110699799 186313696 /nfs/dbraw/zinc/31/36/96/186313696.db2.gz ZZFSRJPZZYCUIL-JTQLQIEISA-N 1 2 289.404 2.260 10 0 CEAELO CC[N@@H+]1CCN(c2nc3c(s2)C(=O)CCC3)C[C@@H]1C ZINC000110758249 186321298 /nfs/dbraw/zinc/32/12/98/186321298.db2.gz IWUUTYSNNBNTEN-JTQLQIEISA-N 1 2 279.409 2.193 10 0 CEAELO CC[N@H+]1CCN(c2nc3c(s2)C(=O)CCC3)C[C@@H]1C ZINC000110758249 186321299 /nfs/dbraw/zinc/32/12/99/186321299.db2.gz IWUUTYSNNBNTEN-JTQLQIEISA-N 1 2 279.409 2.193 10 0 CEAELO Nc1c(-c2cnn(-c3ccccc3)n2)[nH+]c2ccccn12 ZINC000110780333 186324305 /nfs/dbraw/zinc/32/43/05/186324305.db2.gz PLKIKRVQTCTNDV-UHFFFAOYSA-N 1 2 276.303 2.164 10 0 CEAELO CCOC(CC[NH+]1CCN(C(C)(C)C)CC1)OCC ZINC000110785189 186324603 /nfs/dbraw/zinc/32/46/03/186324603.db2.gz JHNBDBCVDCKNDC-UHFFFAOYSA-N 1 2 272.433 2.192 10 0 CEAELO CCCNc1[nH+]cccc1CSCCS(C)(=O)=O ZINC000111007196 186342684 /nfs/dbraw/zinc/34/26/84/186342684.db2.gz FPUHRRUXSIRDKP-UHFFFAOYSA-N 1 2 288.438 2.181 10 0 CEAELO CCOc1cc(N[C@H](CO)CC(C)C)ccc1[NH3+] ZINC000111050854 186347884 /nfs/dbraw/zinc/34/78/84/186347884.db2.gz XXEOWVHAYYRDRZ-LBPRGKRZSA-N 1 2 252.358 2.486 10 0 CEAELO CCOC(=O)[C@H](CCSCCCOC)[NH2+]C(C)C ZINC000111660449 186438574 /nfs/dbraw/zinc/43/85/74/186438574.db2.gz LWBIBNRIXUVINE-LBPRGKRZSA-N 1 2 277.430 2.076 10 0 CEAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccsc3)CCO2)c1 ZINC000122500035 187035636 /nfs/dbraw/zinc/03/56/36/187035636.db2.gz JHHLFSFZXSZHRT-AWEZNQCLSA-N 1 2 277.393 2.154 10 0 CEAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccsc3)CCO2)c1 ZINC000122500035 187035637 /nfs/dbraw/zinc/03/56/37/187035637.db2.gz JHHLFSFZXSZHRT-AWEZNQCLSA-N 1 2 277.393 2.154 10 0 CEAELO CCc1nc([C@@H]2C[N@H+](C[C@H]3CC=CCC3)CCO2)n[nH]1 ZINC000156703978 188277348 /nfs/dbraw/zinc/27/73/48/188277348.db2.gz MJZOELYIGNAQLI-STQMWFEESA-N 1 2 276.384 2.097 10 0 CEAELO CCc1nc([C@@H]2C[N@@H+](C[C@H]3CC=CCC3)CCO2)n[nH]1 ZINC000156703978 188277349 /nfs/dbraw/zinc/27/73/49/188277349.db2.gz MJZOELYIGNAQLI-STQMWFEESA-N 1 2 276.384 2.097 10 0 CEAELO O=C(N[C@H]1CCCOc2ccccc21)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263113657 295861684 /nfs/dbraw/zinc/86/16/84/295861684.db2.gz ALUKDNFTPMSDMA-NWDGAFQWSA-N 1 2 296.317 2.014 10 0 CEAELO C[C@H](CNC(=O)[C@@H](C)CC1CCCC1)[NH+]1CCOCC1 ZINC000074692506 363371625 /nfs/dbraw/zinc/37/16/25/363371625.db2.gz FQVATOOKJMUPBP-UONOGXRCSA-N 1 2 282.428 2.040 10 0 CEAELO O=C(c1cccc(Cl)c1)N1CCn2cc[nH+]c2C1 ZINC000074785095 363390687 /nfs/dbraw/zinc/39/06/87/363390687.db2.gz DBMCXVVVDPIGID-UHFFFAOYSA-N 1 2 261.712 2.193 10 0 CEAELO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@@H]2C)c[nH+]1 ZINC000075979574 363505068 /nfs/dbraw/zinc/50/50/68/363505068.db2.gz QJMNBIIVGUNCRF-WCQYABFASA-N 1 2 276.384 2.135 10 0 CEAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Br)cn1 ZINC000294910707 199243646 /nfs/dbraw/zinc/24/36/46/199243646.db2.gz DYVJUAFLNMTGAO-SKDRFNHKSA-N 1 2 285.185 2.189 10 0 CEAELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Br)cn1 ZINC000294910707 199243647 /nfs/dbraw/zinc/24/36/47/199243647.db2.gz DYVJUAFLNMTGAO-SKDRFNHKSA-N 1 2 285.185 2.189 10 0 CEAELO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Br)cn1 ZINC000294910687 199244134 /nfs/dbraw/zinc/24/41/34/199244134.db2.gz DYVJUAFLNMTGAO-CABZTGNLSA-N 1 2 285.185 2.189 10 0 CEAELO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Br)cn1 ZINC000294910687 199244136 /nfs/dbraw/zinc/24/41/36/199244136.db2.gz DYVJUAFLNMTGAO-CABZTGNLSA-N 1 2 285.185 2.189 10 0 CEAELO Cc1ccc([C@H](CNC(=O)C(C)C)[NH+]2CCOCC2)s1 ZINC000176560589 189000017 /nfs/dbraw/zinc/00/00/17/189000017.db2.gz WEYVZOKWMYALPI-ZDUSSCGKSA-N 1 2 296.436 2.202 10 0 CEAELO CC(C)c1nc([C@H]2CCCN2Cc2c[nH+]cn2C)no1 ZINC000177032699 189022801 /nfs/dbraw/zinc/02/28/01/189022801.db2.gz UEWAILPDIIXZBE-GFCCVEGCSA-N 1 2 275.356 2.264 10 0 CEAELO Cc1ccc(CC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177746328 189066804 /nfs/dbraw/zinc/06/68/04/189066804.db2.gz MGILKJWMHIPPGI-MRXNPFEDSA-N 1 2 283.375 2.425 10 0 CEAELO C[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccnc1 ZINC000177805479 189070972 /nfs/dbraw/zinc/07/09/72/189070972.db2.gz HTRCQEUMTJEYMF-DZGCQCFKSA-N 1 2 284.363 2.073 10 0 CEAELO Cc1cc(C)c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000177817060 189071705 /nfs/dbraw/zinc/07/17/05/189071705.db2.gz JIDIJUWWWJPCHT-CYBMUJFWSA-N 1 2 273.336 2.398 10 0 CEAELO Cc1cnc(CC[N@@H+](C)Cc2nnc(C(C)C)n2C)s1 ZINC000179467779 189196347 /nfs/dbraw/zinc/19/63/47/189196347.db2.gz SGABAMZADTZDKZ-UHFFFAOYSA-N 1 2 293.440 2.378 10 0 CEAELO Cc1cnc(CC[N@H+](C)Cc2nnc(C(C)C)n2C)s1 ZINC000179467779 189196348 /nfs/dbraw/zinc/19/63/48/189196348.db2.gz SGABAMZADTZDKZ-UHFFFAOYSA-N 1 2 293.440 2.378 10 0 CEAELO COc1ccc2c(=O)c(C)c(C)oc2c1C[NH+](C)C ZINC000002007914 361225410 /nfs/dbraw/zinc/22/54/10/361225410.db2.gz HIUYLRVXBVDVRK-UHFFFAOYSA-N 1 2 261.321 2.480 10 0 CEAELO Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)c[nH+]1 ZINC000063008303 283664934 /nfs/dbraw/zinc/66/49/34/283664934.db2.gz PTYWYZQFPDIECT-UHFFFAOYSA-N 1 2 267.210 2.333 10 0 CEAELO C[NH+](C)c1ccc(Nc2ncnc3cc(N)ncc32)cc1 ZINC000013743451 361440749 /nfs/dbraw/zinc/44/07/49/361440749.db2.gz DJDLWERONIANEV-UHFFFAOYSA-N 1 2 280.335 2.417 10 0 CEAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016332873 361485946 /nfs/dbraw/zinc/48/59/46/361485946.db2.gz JNMIIQVTFNEEEB-LJISPDSOSA-N 1 2 290.407 2.362 10 0 CEAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016332873 361485949 /nfs/dbraw/zinc/48/59/49/361485949.db2.gz JNMIIQVTFNEEEB-LJISPDSOSA-N 1 2 290.407 2.362 10 0 CEAELO O=C1CN(c2[nH]c3ccccc3[nH+]2)CCN1CC1CCCC1 ZINC000301889993 201251178 /nfs/dbraw/zinc/25/11/78/201251178.db2.gz QVODRTXFJMXIOL-UHFFFAOYSA-N 1 2 298.390 2.402 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)c1ccc(F)cc1 ZINC000084429699 363809582 /nfs/dbraw/zinc/80/95/82/363809582.db2.gz PMOHMHCNQNOGIF-QGZVFWFLSA-N 1 2 252.314 2.350 10 0 CEAELO O=C(c1scnc1C1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000089717819 363995189 /nfs/dbraw/zinc/99/51/89/363995189.db2.gz VJCWEGXSZBOQNG-GFCCVEGCSA-N 1 2 291.420 2.331 10 0 CEAELO O=C(c1scnc1C1CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000089717819 363995192 /nfs/dbraw/zinc/99/51/92/363995192.db2.gz VJCWEGXSZBOQNG-GFCCVEGCSA-N 1 2 291.420 2.331 10 0 CEAELO C[C@H](/C=C/C(=O)Nc1ccccn1)Nc1cccc[nH+]1 ZINC000095115816 364340281 /nfs/dbraw/zinc/34/02/81/364340281.db2.gz RCHCMHKHRLMTMN-IDVQTMNDSA-N 1 2 268.320 2.472 10 0 CEAELO CC(C)[C@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103297561 364640478 /nfs/dbraw/zinc/64/04/78/364640478.db2.gz WFKWSGHUQGRWEP-LBPRGKRZSA-N 1 2 264.373 2.274 10 0 CEAELO CC[C@H](CC1CCCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000114321981 364936459 /nfs/dbraw/zinc/93/64/59/364936459.db2.gz WODDBVAOLUSOBB-HZPDHXFCSA-N 1 2 296.455 2.430 10 0 CEAELO CC[C@H](CC1CCCCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000114321981 364936465 /nfs/dbraw/zinc/93/64/65/364936465.db2.gz WODDBVAOLUSOBB-HZPDHXFCSA-N 1 2 296.455 2.430 10 0 CEAELO Cc1cccc2[nH+]c(CN3[C@H](C)COC[C@@H]3C)cn21 ZINC000120820607 365480267 /nfs/dbraw/zinc/48/02/67/365480267.db2.gz GLKQZGSAGISRGE-BETUJISGSA-N 1 2 259.353 2.252 10 0 CEAELO CC(C)c1ccc([C@@H](C)[NH2+]Cc2nc(N)nc(N)n2)cc1 ZINC000171108804 367479904 /nfs/dbraw/zinc/47/99/04/367479904.db2.gz RKKCLHAAUVOTIL-SNVBAGLBSA-N 1 2 286.383 2.010 10 0 CEAELO C[C@H](CN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(C)(C)C ZINC000639064314 370941141 /nfs/dbraw/zinc/94/11/41/370941141.db2.gz NALAMSDQTKMPHA-ZJUUUORDSA-N 1 2 262.344 2.124 10 0 CEAELO COC(=O)[C@@]1(C)CCCN1Cc1cn2cc(C)ccc2[nH+]1 ZINC000186342306 368960331 /nfs/dbraw/zinc/96/03/31/368960331.db2.gz JTXOYPKSBRTFPK-MRXNPFEDSA-N 1 2 287.363 2.170 10 0 CEAELO CC[C@](C)(O)CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000246673413 370993167 /nfs/dbraw/zinc/99/31/67/370993167.db2.gz USYFGHBPNUVLTQ-DOMZBBRYSA-N 1 2 278.400 2.286 10 0 CEAELO CC[C@](C)(O)CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000246673413 370993175 /nfs/dbraw/zinc/99/31/75/370993175.db2.gz USYFGHBPNUVLTQ-DOMZBBRYSA-N 1 2 278.400 2.286 10 0 CEAELO CCOC(=O)[C@@H]([NH3+])c1ccc(Br)cc1OC ZINC000261286126 371637080 /nfs/dbraw/zinc/63/70/80/371637080.db2.gz XPTQJXZPIDQZGC-JTQLQIEISA-N 1 2 288.141 2.021 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2cccnc2C)C1 ZINC000643772582 373263225 /nfs/dbraw/zinc/26/32/25/373263225.db2.gz IVKCQQFJKDAKRT-KGLIPLIRSA-N 1 2 272.352 2.075 10 0 CEAELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](Cc2cccnc2C)C1 ZINC000643772582 373263229 /nfs/dbraw/zinc/26/32/29/373263229.db2.gz IVKCQQFJKDAKRT-KGLIPLIRSA-N 1 2 272.352 2.075 10 0 CEAELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](Cc2cccnc2C)C1 ZINC000643772582 373263234 /nfs/dbraw/zinc/26/32/34/373263234.db2.gz IVKCQQFJKDAKRT-KGLIPLIRSA-N 1 2 272.352 2.075 10 0 CEAELO Cc1cc[nH+]c(N[C@@H]2CCC(=O)N[C@@H]2C)c1Br ZINC000286491795 375971298 /nfs/dbraw/zinc/97/12/98/375971298.db2.gz PSHFPMPVBKPLKT-RKDXNWHRSA-N 1 2 298.184 2.232 10 0 CEAELO O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)NCc1ccco1 ZINC000116288490 249312907 /nfs/dbraw/zinc/31/29/07/249312907.db2.gz IPGSSTMIAJFCJV-CYBMUJFWSA-N 1 2 274.320 2.326 10 0 CEAELO O=C(C[N@H+]1CCC[C@@H]1c1ccco1)NCc1ccco1 ZINC000116288490 249312909 /nfs/dbraw/zinc/31/29/09/249312909.db2.gz IPGSSTMIAJFCJV-CYBMUJFWSA-N 1 2 274.320 2.326 10 0 CEAELO Cc1nc(N2CC[S@@](=O)C(C)(C)C2)c2c([nH+]1)CCCC2 ZINC000302104211 379322417 /nfs/dbraw/zinc/32/24/17/379322417.db2.gz REZNTLFFGCLSRV-HXUWFJFHSA-N 1 2 293.436 2.011 10 0 CEAELO O=c1[nH]n(-c2ccc(Br)cc2)c2cc[nH+]cc12 ZINC000089220424 285201780 /nfs/dbraw/zinc/20/17/80/285201780.db2.gz IGTOIGCEVYATOX-UHFFFAOYSA-N 1 2 290.120 2.476 10 0 CEAELO C[NH2+][C@]1(C(=O)OC)CCC[C@H](Sc2ccncc2)C1 ZINC000094615337 184826521 /nfs/dbraw/zinc/82/65/21/184826521.db2.gz PVBJWPWDUOJXTL-GXTWGEPZSA-N 1 2 280.393 2.248 10 0 CEAELO CCC(=O)[C@@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000085682142 135037564 /nfs/dbraw/zinc/03/75/64/135037564.db2.gz FZNJPJGQYVEAKZ-CYBMUJFWSA-N 1 2 276.380 2.185 10 0 CEAELO Cc1nc(Cl)c(N2CC[NH+](C3CC3)CC2)nc1C ZINC000088496864 135055161 /nfs/dbraw/zinc/05/51/61/135055161.db2.gz SZMQCJMZSVYWDD-UHFFFAOYSA-N 1 2 266.776 2.031 10 0 CEAELO Cc1nc(N[C@H](C)[C@H](C)O)c(Br)c(C)[nH+]1 ZINC000306483309 394515827 /nfs/dbraw/zinc/51/58/27/394515827.db2.gz FDDMRSAZMNYMBI-VDTYLAMSSA-N 1 2 274.162 2.037 10 0 CEAELO Ic1cnc([C@H]2[NH2+]CCS2)s1 ZINC000307562661 394521850 /nfs/dbraw/zinc/52/18/50/394521850.db2.gz BKTBJABQAFFPCU-YFKPBYRVSA-N 1 2 298.174 2.083 10 0 CEAELO Cc1nc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cs1 ZINC000152210778 394990804 /nfs/dbraw/zinc/99/08/04/394990804.db2.gz IZRUUKCBWFKZBV-CQSZACIVSA-N 1 2 275.377 2.500 10 0 CEAELO Cc1nc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cs1 ZINC000152210778 394990806 /nfs/dbraw/zinc/99/08/06/394990806.db2.gz IZRUUKCBWFKZBV-CQSZACIVSA-N 1 2 275.377 2.500 10 0 CEAELO Cc1cnc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)o1 ZINC000152307124 394992588 /nfs/dbraw/zinc/99/25/88/394992588.db2.gz KDSPSQLCPYCJOZ-CYBMUJFWSA-N 1 2 259.309 2.031 10 0 CEAELO Cc1cnc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)o1 ZINC000152307124 394992589 /nfs/dbraw/zinc/99/25/89/394992589.db2.gz KDSPSQLCPYCJOZ-CYBMUJFWSA-N 1 2 259.309 2.031 10 0 CEAELO CCc1nnc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)o1 ZINC000192504346 395385438 /nfs/dbraw/zinc/38/54/38/395385438.db2.gz KOQSSRGHTKKTQC-JTQLQIEISA-N 1 2 289.335 2.254 10 0 CEAELO c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1CCCn2ncnc21 ZINC000190942937 296609215 /nfs/dbraw/zinc/60/92/15/296609215.db2.gz KVLBDQZTLPUKFY-NEPJUHHUSA-N 1 2 258.325 2.373 10 0 CEAELO CCn1cc([C@H]2C[N@H+](Cc3cccnc3C)CCO2)cn1 ZINC000191716361 153184180 /nfs/dbraw/zinc/18/41/80/153184180.db2.gz LLNSHFZMZSWZOP-MRXNPFEDSA-N 1 2 286.379 2.180 10 0 CEAELO CCn1cc([C@H]2C[N@@H+](Cc3cccnc3C)CCO2)cn1 ZINC000191716361 153184183 /nfs/dbraw/zinc/18/41/83/153184183.db2.gz LLNSHFZMZSWZOP-MRXNPFEDSA-N 1 2 286.379 2.180 10 0 CEAELO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)cc1 ZINC000230646999 153398952 /nfs/dbraw/zinc/39/89/52/153398952.db2.gz JVPOKJICNXAROX-NSHDSACASA-N 1 2 273.336 2.193 10 0 CEAELO Cc1nc2ccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)cc2o1 ZINC000263079764 154016513 /nfs/dbraw/zinc/01/65/13/154016513.db2.gz XLTQSCODIPAEGH-SNVBAGLBSA-N 1 2 281.262 2.072 10 0 CEAELO O=C(NC1CC(c2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263183044 154030426 /nfs/dbraw/zinc/03/04/26/154030426.db2.gz GXSHHTBWZUSONY-WXRRBKDZSA-N 1 2 280.318 2.046 10 0 CEAELO O=C(CC1CCCCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000177329514 165196310 /nfs/dbraw/zinc/19/63/10/165196310.db2.gz ASWXRSPYQFJDHN-INIZCTEOSA-N 1 2 294.439 2.280 10 0 CEAELO CC1(C)CO[C@H](c2ccccc2Cl)C[N@@H+]1CCO ZINC000177719857 165205084 /nfs/dbraw/zinc/20/50/84/165205084.db2.gz UGNKMSNQCSHDJF-ZDUSSCGKSA-N 1 2 269.772 2.484 10 0 CEAELO CC1(C)CO[C@H](c2ccccc2Cl)C[N@H+]1CCO ZINC000177719857 165205086 /nfs/dbraw/zinc/20/50/86/165205086.db2.gz UGNKMSNQCSHDJF-ZDUSSCGKSA-N 1 2 269.772 2.484 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000189086565 287180174 /nfs/dbraw/zinc/18/01/74/287180174.db2.gz ZZRNVECHWTWSNH-SNVBAGLBSA-N 1 2 286.297 2.416 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000189086565 287180175 /nfs/dbraw/zinc/18/01/75/287180175.db2.gz ZZRNVECHWTWSNH-SNVBAGLBSA-N 1 2 286.297 2.416 10 0 CEAELO C[C@@H](C(=O)Nc1ccc(Cl)c(N)c1)n1cc[nH+]c1 ZINC000022168527 171366803 /nfs/dbraw/zinc/36/68/03/171366803.db2.gz ARMWWUZSFBKLQP-QMMMGPOBSA-N 1 2 264.716 2.318 10 0 CEAELO C[NH+](C)c1ccc(NCC(=O)N2CCCCC2)cc1 ZINC000035164829 172026599 /nfs/dbraw/zinc/02/65/99/172026599.db2.gz OTSDGHGWHURJIY-UHFFFAOYSA-N 1 2 261.369 2.177 10 0 CEAELO COC(=O)C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000036841041 172745997 /nfs/dbraw/zinc/74/59/97/172745997.db2.gz WVWYUWIXMHCOHX-UHFFFAOYSA-N 1 2 298.180 2.458 10 0 CEAELO O=S1(=O)CC[C@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000037184225 173016366 /nfs/dbraw/zinc/01/63/66/173016366.db2.gz HJQCYKDXOVOEIR-ZDUSSCGKSA-N 1 2 277.345 2.288 10 0 CEAELO C[C@@H]1CCCN(C(=O)CSc2ccc(N)[nH+]c2)C1 ZINC000037192123 173020787 /nfs/dbraw/zinc/02/07/87/173020787.db2.gz ILPLESVXLZZGRH-SNVBAGLBSA-N 1 2 265.382 2.014 10 0 CEAELO NC(=O)c1ccccc1CSc1ccc(N)[nH+]c1 ZINC000037192662 173021822 /nfs/dbraw/zinc/02/18/22/173021822.db2.gz FTZVZTAMLHLAIF-UHFFFAOYSA-N 1 2 259.334 2.055 10 0 CEAELO CC(C)N(C(=O)CSc1ccc(N)[nH+]c1)C(C)C ZINC000037192472 173022166 /nfs/dbraw/zinc/02/21/66/173022166.db2.gz BUTVCSNLVAHDGF-UHFFFAOYSA-N 1 2 267.398 2.401 10 0 CEAELO Cn1cc[nH+]c1[C@@H](Nc1cn[nH]c1)c1cccs1 ZINC000037260698 173070547 /nfs/dbraw/zinc/07/05/47/173070547.db2.gz WZSKNHOFVYWDEY-NSHDSACASA-N 1 2 259.338 2.406 10 0 CEAELO Nc1cc(F)c(NCCCn2cc[nH+]c2)c(F)c1 ZINC000038039937 174039454 /nfs/dbraw/zinc/03/94/54/174039454.db2.gz BQWBIVULPCLXIP-UHFFFAOYSA-N 1 2 252.268 2.246 10 0 CEAELO NC(=O)c1ccc(-n2cc[nH+]c2-c2cccc(N)c2)cc1 ZINC000040516859 174307491 /nfs/dbraw/zinc/30/74/91/174307491.db2.gz QMWBZNGIQGVINB-UHFFFAOYSA-N 1 2 278.315 2.220 10 0 CEAELO Cc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@H]1CCC[N@@H+](C)C1 ZINC000040716047 174383144 /nfs/dbraw/zinc/38/31/44/174383144.db2.gz ZORMFRKXZFOFRG-LBPRGKRZSA-N 1 2 273.336 2.310 10 0 CEAELO Cc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@H]1CCC[N@H+](C)C1 ZINC000040716047 174383146 /nfs/dbraw/zinc/38/31/46/174383146.db2.gz ZORMFRKXZFOFRG-LBPRGKRZSA-N 1 2 273.336 2.310 10 0 CEAELO Nc1cccc2c1cc[nH+]c2N1CC[C@@H](CCO)C1 ZINC000663661483 415007022 /nfs/dbraw/zinc/00/70/22/415007022.db2.gz QEKSTUPIAQBMGT-NSHDSACASA-N 1 2 257.337 2.026 10 0 CEAELO C[C@H]1C[C@H](O)CN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663987691 415114019 /nfs/dbraw/zinc/11/40/19/415114019.db2.gz UADNDWZAHJETBE-QWRGUYRKSA-N 1 2 257.337 2.024 10 0 CEAELO Cc1cc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)no1 ZINC000044299529 175161161 /nfs/dbraw/zinc/16/11/61/175161161.db2.gz ZCNKJZWAPZJILI-NSHDSACASA-N 1 2 294.376 2.237 10 0 CEAELO Cc1cc(C[NH2+]CC(=O)Nc2ccc(C)cc2)on1 ZINC000044991636 175286136 /nfs/dbraw/zinc/28/61/36/175286136.db2.gz MTUZNWJMPUAJGN-UHFFFAOYSA-N 1 2 259.309 2.020 10 0 CEAELO CCN(CC[C@](C)([NH2+]C)C(=O)OC)c1ccccc1C ZINC000045223080 175331266 /nfs/dbraw/zinc/33/12/66/175331266.db2.gz KMWNXQSYGNYWDA-INIZCTEOSA-N 1 2 278.396 2.363 10 0 CEAELO CCCN(CC[C@@](C)([NH2+]C)C(=O)OCC)CC(F)(F)F ZINC000045274436 175345180 /nfs/dbraw/zinc/34/51/80/175345180.db2.gz ALXZZTUWJYNGPW-GFCCVEGCSA-N 1 2 298.349 2.192 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277342 175347868 /nfs/dbraw/zinc/34/78/68/175347868.db2.gz XQVWRSWDJBALRD-ZBFHGGJFSA-N 1 2 282.428 2.484 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277342 175347869 /nfs/dbraw/zinc/34/78/69/175347869.db2.gz XQVWRSWDJBALRD-ZBFHGGJFSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@](C)(C[N@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281077 175352079 /nfs/dbraw/zinc/35/20/79/175352079.db2.gz HVCAWMNJMZBWLL-SSDMNJCBSA-N 1 2 270.417 2.340 10 0 CEAELO CC[NH2+][C@](C)(C[N@@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281077 175352080 /nfs/dbraw/zinc/35/20/80/175352080.db2.gz HVCAWMNJMZBWLL-SSDMNJCBSA-N 1 2 270.417 2.340 10 0 CEAELO CC[N@H+](CCC[C@@](C)([NH3+])C(=O)[O-])c1ccccc1C ZINC000045369633 175363630 /nfs/dbraw/zinc/36/36/30/175363630.db2.gz LJCWLIBHZQFIAJ-OAHLLOKOSA-N 1 2 264.369 2.404 10 0 CEAELO CC[N@@H+](CCC[C@@](C)([NH3+])C(=O)[O-])c1ccccc1C ZINC000045369633 175363632 /nfs/dbraw/zinc/36/36/32/175363632.db2.gz LJCWLIBHZQFIAJ-OAHLLOKOSA-N 1 2 264.369 2.404 10 0 CEAELO Nc1cc(Br)ccc1NCc1[nH]cc[nH+]1 ZINC000070819318 176007730 /nfs/dbraw/zinc/00/77/30/176007730.db2.gz GYYTUZXETOVACQ-UHFFFAOYSA-N 1 2 267.130 2.367 10 0 CEAELO C[C@H]1CC(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H](C)C1 ZINC000662627206 415910088 /nfs/dbraw/zinc/91/00/88/415910088.db2.gz CCQDINXIQLAAOV-FOGDFJRCSA-N 1 2 274.355 2.172 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000077368296 177258425 /nfs/dbraw/zinc/25/84/25/177258425.db2.gz PQSIHCICPPCESK-TXEJJXNPSA-N 1 2 296.798 2.065 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000077368296 177258426 /nfs/dbraw/zinc/25/84/26/177258426.db2.gz PQSIHCICPPCESK-TXEJJXNPSA-N 1 2 296.798 2.065 10 0 CEAELO Nc1[nH+]cccc1[C@H](O)c1ccc2ccccc2n1 ZINC000078597850 177357857 /nfs/dbraw/zinc/35/78/57/177357857.db2.gz KUQMNXHOQQXPDS-AWEZNQCLSA-N 1 2 251.289 2.294 10 0 CEAELO CCn1cc[nH+]c1CSCCOCC(F)F ZINC000190047514 270266791 /nfs/dbraw/zinc/26/67/91/270266791.db2.gz PCJQAWIYUWZRJO-UHFFFAOYSA-N 1 2 250.314 2.418 10 0 CEAELO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1noc(-c2ccsc2)n1 ZINC000399266155 270368178 /nfs/dbraw/zinc/36/81/78/270368178.db2.gz VNEORTRSLNZXTR-ONGXEEELSA-N 1 2 279.365 2.143 10 0 CEAELO C[C@H]1CC[C@H](O)C[N@H+]1Cc1noc(-c2ccsc2)n1 ZINC000399266155 270368180 /nfs/dbraw/zinc/36/81/80/270368180.db2.gz VNEORTRSLNZXTR-ONGXEEELSA-N 1 2 279.365 2.143 10 0 CEAELO C[N@@H+]1CCO[C@H](CNCc2c(Cl)cccc2Cl)C1 ZINC000105472272 277127808 /nfs/dbraw/zinc/12/78/08/277127808.db2.gz SLORSEIUEZQHGI-SNVBAGLBSA-N 1 2 289.206 2.414 10 0 CEAELO C[N@H+]1CCO[C@H](CNCc2c(Cl)cccc2Cl)C1 ZINC000105472272 277127809 /nfs/dbraw/zinc/12/78/09/277127809.db2.gz SLORSEIUEZQHGI-SNVBAGLBSA-N 1 2 289.206 2.414 10 0 CEAELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(O)c1 ZINC000194909909 280198296 /nfs/dbraw/zinc/19/82/96/280198296.db2.gz WNSDABZZBCMESY-MFKMUULPSA-N 1 2 258.325 2.169 10 0 CEAELO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000153886940 289126040 /nfs/dbraw/zinc/12/60/40/289126040.db2.gz QUERWDWUIACVJX-LLVKDONJSA-N 1 2 286.297 2.204 10 0 CEAELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000153886940 289126042 /nfs/dbraw/zinc/12/60/42/289126042.db2.gz QUERWDWUIACVJX-LLVKDONJSA-N 1 2 286.297 2.204 10 0 CEAELO COc1c(CN2CCCC[C@H]2c2[nH]cc[nH+]2)c(C)nn1C ZINC000092729409 294900347 /nfs/dbraw/zinc/90/03/47/294900347.db2.gz GVIRIXJPASPGBC-ZDUSSCGKSA-N 1 2 289.383 2.187 10 0 CEAELO FC(F)(F)COCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000193721647 303115219 /nfs/dbraw/zinc/11/52/19/303115219.db2.gz FZSCZOKFQNDROZ-WDEREUQCSA-N 1 2 267.291 2.209 10 0 CEAELO FC(F)(F)COCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000193721647 303115218 /nfs/dbraw/zinc/11/52/18/303115218.db2.gz FZSCZOKFQNDROZ-WDEREUQCSA-N 1 2 267.291 2.209 10 0 CEAELO CCc1nnc(C[NH2+][C@@H](CC)c2nccs2)n1C ZINC000185076771 321738502 /nfs/dbraw/zinc/73/85/02/321738502.db2.gz LVWIZVYMNXNTSR-VIFPVBQESA-N 1 2 265.386 2.075 10 0 CEAELO OC[C@@H]1OC[C@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306618480 333008416 /nfs/dbraw/zinc/00/84/16/333008416.db2.gz SOYKOCDOUIBHOG-MSOLQXFVSA-N 1 2 283.371 2.449 10 0 CEAELO CC[NH2+][C@@H](CCN(CC)c1ccc(C)cc1)C(=O)OC ZINC000062529184 520085878 /nfs/dbraw/zinc/08/58/78/520085878.db2.gz SVGCZKUVBIIGOX-HNNXBMFYSA-N 1 2 278.396 2.363 10 0 CEAELO CC[NH2+][C@@H](CN(C)c1cc(C)cc(C)c1)C(=O)OCC ZINC000049989664 520096431 /nfs/dbraw/zinc/09/64/31/520096431.db2.gz LEAVTKLLGFYZGR-HNNXBMFYSA-N 1 2 278.396 2.281 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc(C)cc1)C(=O)OCC ZINC000062543590 520092089 /nfs/dbraw/zinc/09/20/89/520092089.db2.gz MRRDCYJLJZCRMR-AWEZNQCLSA-N 1 2 265.353 2.305 10 0 CEAELO CC[NH2+][C@H](CCOc1ccc(C)cc1)C(=O)OCC ZINC000062543592 520191006 /nfs/dbraw/zinc/19/10/06/520191006.db2.gz MRRDCYJLJZCRMR-CQSZACIVSA-N 1 2 265.353 2.305 10 0 CEAELO CCOC(=O)C=C(O)C[N@H+](Cc1ccccc1)C(C)C ZINC000068814145 520590179 /nfs/dbraw/zinc/59/01/79/520590179.db2.gz AZNLGHHFBSVUIU-UHFFFAOYSA-N 1 2 277.364 2.419 10 0 CEAELO CCOC(=O)C=C(O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000068814145 520590185 /nfs/dbraw/zinc/59/01/85/520590185.db2.gz AZNLGHHFBSVUIU-UHFFFAOYSA-N 1 2 277.364 2.419 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccc(C)cc1C)[NH2+]C ZINC000062547794 521246994 /nfs/dbraw/zinc/24/69/94/521246994.db2.gz JGRFLBRLJMAMFX-ZDUSSCGKSA-N 1 2 265.353 2.223 10 0 CEAELO CCOC(=O)[C@H](CSCc1ccccc1C)[NH2+]C ZINC000054964747 521253070 /nfs/dbraw/zinc/25/30/70/521253070.db2.gz OOERHBSCUHMGGR-ZDUSSCGKSA-N 1 2 267.394 2.379 10 0 CEAELO CC(C)C[C@@H](C[NH+](C)C)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000049560400 519776041 /nfs/dbraw/zinc/77/60/41/519776041.db2.gz MHFYIOTZZKHBBW-LBPRGKRZSA-N 1 2 265.357 2.168 10 0 CEAELO CCCNC(=O)[C@@H](C)NC1=[NH+][C@@H](CC(C)C)CS1 ZINC000049221949 519888301 /nfs/dbraw/zinc/88/83/01/519888301.db2.gz BQGULSLAIFIJBV-MNOVXSKESA-N 1 2 271.430 2.008 10 0 CEAELO CCCC1=NN(c2ccc(C)cc2)C(=O)[C@H]1CC[NH3+] ZINC000069506159 519893855 /nfs/dbraw/zinc/89/38/55/519893855.db2.gz KPVQMIJAIROWNJ-ZDUSSCGKSA-N 1 2 259.353 2.463 10 0 CEAELO CCC[NH2+][C@@H](CCOc1cccc(COC)c1)C(=O)OC ZINC000069508667 520003952 /nfs/dbraw/zinc/00/39/52/520003952.db2.gz DKXOBUASZOAKTJ-HNNXBMFYSA-N 1 2 295.379 2.143 10 0 CEAELO CCC[NH2+][C@@H](CCOc1ccccc1OC)C(=O)OCC ZINC000062550177 520004908 /nfs/dbraw/zinc/00/49/08/520004908.db2.gz KTZWYVGTMWHJJZ-ZDUSSCGKSA-N 1 2 295.379 2.395 10 0 CEAELO CCC[NH2+][C@@H](c1cscn1)c1nccn1CC ZINC000062361853 520019415 /nfs/dbraw/zinc/01/94/15/520019415.db2.gz NMDKOHMYCSUNDQ-NSHDSACASA-N 1 2 250.371 2.449 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](C)C(C)(C)CC)(C(=O)[O-])C1CC1 ZINC000069446918 520047604 /nfs/dbraw/zinc/04/76/04/520047604.db2.gz IAUIPODPIURBMW-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](C)C(C)(C)CC)(C(=O)[O-])C1CC1 ZINC000069446918 520047614 /nfs/dbraw/zinc/04/76/14/520047614.db2.gz IAUIPODPIURBMW-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@H](CCSc1ncc(C)cn1)C(=O)OCC ZINC000062602292 520080812 /nfs/dbraw/zinc/08/08/12/520080812.db2.gz CWKGYGJORPVQOJ-GFCCVEGCSA-N 1 2 297.424 2.199 10 0 CEAELO CC[NH2+][C@@H](CCOc1cccc(COC)c1)C(=O)OCC ZINC000069508671 520092107 /nfs/dbraw/zinc/09/21/07/520092107.db2.gz BJXSWLWAUDWJMZ-HNNXBMFYSA-N 1 2 295.379 2.143 10 0 CEAELO CC[NH2+][C@@H](CCn1c(C)nc2ccccc21)C(=O)OCC ZINC000062534707 520098484 /nfs/dbraw/zinc/09/84/84/520098484.db2.gz FYAYOULYDGECPQ-AWEZNQCLSA-N 1 2 289.379 2.276 10 0 CEAELO CC[NH2+][C@H](CCO[C@@H](C)CC(C)C)C(=O)OCC ZINC000062544967 520190969 /nfs/dbraw/zinc/19/09/69/520190969.db2.gz AHHRLZZQXSCASG-QWHCGFSZSA-N 1 2 259.390 2.369 10 0 CEAELO CC[NH2+][C@H](CCN1CCCc2cc(C)ccc21)C(=O)OC ZINC000062438608 520189188 /nfs/dbraw/zinc/18/91/88/520189188.db2.gz WQJUFKBSTACYHF-OAHLLOKOSA-N 1 2 290.407 2.289 10 0 CEAELO CCCNc1[nH+]cccc1CN1C(=O)N[C@H](CCC)C1=O ZINC000052732714 520195850 /nfs/dbraw/zinc/19/58/50/520195850.db2.gz ZYTGAMWOFFTHES-GFCCVEGCSA-N 1 2 290.367 2.124 10 0 CEAELO CC[NH2+][C@H](CCn1c(CC)nc2ccccc21)C(=O)OC ZINC000062807948 520197389 /nfs/dbraw/zinc/19/73/89/520197389.db2.gz XPFBGPKPRXBNJG-CYBMUJFWSA-N 1 2 289.379 2.140 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)Oc1cccc(OC)c1)C(=O)OC ZINC000068655572 520237571 /nfs/dbraw/zinc/23/75/71/520237571.db2.gz KGNJDEIVKBTPPQ-MLGOLLRUSA-N 1 2 295.379 2.394 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)Sc1ncc(C)cn1)C(=O)OC ZINC000068640013 520243373 /nfs/dbraw/zinc/24/33/73/520243373.db2.gz UWXVGHHIBQAQTE-SMDDNHRTSA-N 1 2 297.424 2.197 10 0 CEAELO CC[NH2+][C@](C[NH+](CC(C)C)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069100854 520244290 /nfs/dbraw/zinc/24/42/90/520244290.db2.gz CNPQQOWQQXPNCL-INIZCTEOSA-N 1 2 284.444 2.443 10 0 CEAELO CC[NH2+][C@](C[NH+]1CCC2(CCCC2)CC1)(C(=O)[O-])C1CC1 ZINC000069232568 520246404 /nfs/dbraw/zinc/24/64/04/520246404.db2.gz MUHZHCZGPOEHII-KRWDZBQOSA-N 1 2 294.439 2.486 10 0 CEAELO CC[NH2+][C@](Cn1nc(C)c(C)c1C)(C(=O)OCC)C1CC1 ZINC000069192888 520254488 /nfs/dbraw/zinc/25/44/88/520254488.db2.gz GHQGQWPAGAWBPM-INIZCTEOSA-N 1 2 293.411 2.130 10 0 CEAELO CCNc1ccc(CSCC(=O)OCC)c[nH+]1 ZINC000050838654 520303975 /nfs/dbraw/zinc/30/39/75/520303975.db2.gz SBQQGUXKYJWDID-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO CCNc1[nH+]cccc1Cn1nnc(-c2ccccc2)n1 ZINC000052731988 520380288 /nfs/dbraw/zinc/38/02/88/520380288.db2.gz VVIVKYNDZIHCNX-UHFFFAOYSA-N 1 2 280.335 2.215 10 0 CEAELO CCNc1[nH+]cnc2c1cnn2[C@@H]1CCCCC[C@H]1O ZINC000062367193 520382534 /nfs/dbraw/zinc/38/25/34/520382534.db2.gz LAGSUIMYRZSOBP-VXGBXAGGSA-N 1 2 275.356 2.124 10 0 CEAELO CCCSC[C@@]([NH2+]C(C)C)(C(=O)OC)C1CC1 ZINC000069185330 520564927 /nfs/dbraw/zinc/56/49/27/520564927.db2.gz JCZUMSFBXZLYFH-ZDUSSCGKSA-N 1 2 259.415 2.449 10 0 CEAELO CC[NH+](CC)C[C@@H](C)Nc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054531142 520723469 /nfs/dbraw/zinc/72/34/69/520723469.db2.gz XONRDXQYSWNCCX-LLVKDONJSA-N 1 2 291.395 2.411 10 0 CEAELO CCCCOC[C@@]([NH2+]C1CC1)(C(=O)OCC)C1CC1 ZINC000069198060 520801543 /nfs/dbraw/zinc/80/15/43/520801543.db2.gz WNWVHKCAEKJNAI-HNNXBMFYSA-N 1 2 269.385 2.267 10 0 CEAELO CCOC(=O)[C@@H](C)N[C@H](c1cccs1)c1[nH+]ccn1C ZINC000049371254 521028949 /nfs/dbraw/zinc/02/89/49/521028949.db2.gz PRLUQJZONHHEKG-ZYHUDNBSSA-N 1 2 293.392 2.112 10 0 CEAELO CCOC(=O)[C@@H](CCSC1CCOCC1)[NH2+]C(C)C ZINC000062605268 521061812 /nfs/dbraw/zinc/06/18/12/521061812.db2.gz GTLXDBDAIQVBJY-CYBMUJFWSA-N 1 2 289.441 2.218 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@@H](C)Oc1ccccc1OC)[NH2+]C ZINC000068656588 521150835 /nfs/dbraw/zinc/15/08/35/521150835.db2.gz VBKOEHQVNVYWLV-MLGOLLRUSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@@](COc1ccccc1OC)([NH2+]C)C1CC1 ZINC000069197646 521169332 /nfs/dbraw/zinc/16/93/32/521169332.db2.gz LPJMRFWLGGDAAE-INIZCTEOSA-N 1 2 293.363 2.005 10 0 CEAELO CCN(C[C@@]([NH2+]C)(C(=O)OC)C1CC1)c1ccc(F)cc1 ZINC000069231548 521235357 /nfs/dbraw/zinc/23/53/57/521235357.db2.gz KNZLNPRCDQPINV-INIZCTEOSA-N 1 2 294.370 2.193 10 0 CEAELO CCOC(=O)[C@]1([NH2+]Cc2cccs2)CCO[C@H](C)C1 ZINC000069546337 521358113 /nfs/dbraw/zinc/35/81/13/521358113.db2.gz HJPNXGWXFXSWTQ-RISCZKNCSA-N 1 2 283.393 2.339 10 0 CEAELO CC[N@H+](Cc1[nH+]cc(C)c(OC)c1C)C(C)(C)C(=O)[O-] ZINC000061175602 521459168 /nfs/dbraw/zinc/45/91/68/521459168.db2.gz RYIJXBVHBFECJX-UHFFFAOYSA-N 1 2 280.368 2.392 10 0 CEAELO CC[N@@H+](Cc1[nH+]cc(C)c(OC)c1C)C(C)(C)C(=O)[O-] ZINC000061175602 521459175 /nfs/dbraw/zinc/45/91/75/521459175.db2.gz RYIJXBVHBFECJX-UHFFFAOYSA-N 1 2 280.368 2.392 10 0 CEAELO CCCc1[nH+]c(-c2ccc(F)c(F)c2)c(N)n1N ZINC000052839410 521466270 /nfs/dbraw/zinc/46/62/70/521466270.db2.gz ALLMTEXKWCIGHB-UHFFFAOYSA-N 1 2 252.268 2.077 10 0 CEAELO CCOc1ccccc1NC(=O)c1cccc(NN)[nH+]1 ZINC000051089498 521550404 /nfs/dbraw/zinc/55/04/04/521550404.db2.gz ZBWRYPXANLPMER-UHFFFAOYSA-N 1 2 272.308 2.018 10 0 CEAELO CCC[N@H+](CCOc1ccccc1OC)CC(=O)OCC ZINC000067409294 521669180 /nfs/dbraw/zinc/66/91/80/521669180.db2.gz JYYSZBQEXBHCJX-UHFFFAOYSA-N 1 2 295.379 2.349 10 0 CEAELO CCC[N@@H+](CCOc1ccccc1OC)CC(=O)OCC ZINC000067409294 521669182 /nfs/dbraw/zinc/66/91/82/521669182.db2.gz JYYSZBQEXBHCJX-UHFFFAOYSA-N 1 2 295.379 2.349 10 0 CEAELO COC(=O)c1cc(NCc2c[nH+]c(C)[nH]2)c(F)cc1F ZINC000054822064 521895091 /nfs/dbraw/zinc/89/50/91/521895091.db2.gz IZQXNZNZYFSDFY-UHFFFAOYSA-N 1 2 281.262 2.395 10 0 CEAELO COC(=O)c1cc(NCc2c[nH]c(C)[nH+]2)c(F)cc1F ZINC000054822064 521895101 /nfs/dbraw/zinc/89/51/01/521895101.db2.gz IZQXNZNZYFSDFY-UHFFFAOYSA-N 1 2 281.262 2.395 10 0 CEAELO CCc1[nH+]c(-c2cccc(OC(C)C)c2)c(N)n1N ZINC000052838916 522147168 /nfs/dbraw/zinc/14/71/68/522147168.db2.gz FOYQSUTYCYOKPU-UHFFFAOYSA-N 1 2 260.341 2.196 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)Oc1ccc2c(c1)CCC2)C(=O)OC ZINC000068654521 522418859 /nfs/dbraw/zinc/41/88/59/522418859.db2.gz RAPWEZHEIOSOGV-SJCJKPOMSA-N 1 2 291.391 2.484 10 0 CEAELO C[NH2+][C@@](CSc1nc(C)cs1)(C(=O)OC)C1CC1 ZINC000069187846 522433737 /nfs/dbraw/zinc/43/37/37/522433737.db2.gz NAVSVDOEOXJHQD-GFCCVEGCSA-N 1 2 286.422 2.085 10 0 CEAELO CCc1nc([C@H]([NH3+])c2cc(F)c(F)c(F)c2)no1 ZINC000062720002 522457577 /nfs/dbraw/zinc/45/75/77/522457577.db2.gz LVRDOQFDJOOSQT-SNVBAGLBSA-N 1 2 257.215 2.097 10 0 CEAELO CCc1[nH+]c2ccccc2n1CC[C@](C)([NH2+]C)C(=O)[O-] ZINC000062807977 522504085 /nfs/dbraw/zinc/50/40/85/522504085.db2.gz YXSRNRDFHPKPQJ-HNNXBMFYSA-N 1 2 275.352 2.052 10 0 CEAELO CNc1ccc(CSc2nnc3ccccn32)c[nH+]1 ZINC000061408663 522612776 /nfs/dbraw/zinc/61/27/76/522612776.db2.gz MQLLUHZAJGBHKZ-UHFFFAOYSA-N 1 2 271.349 2.458 10 0 CEAELO C[N@H+](CC1CCCC1)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069233252 522650909 /nfs/dbraw/zinc/65/09/09/522650909.db2.gz BDNXZOOKDPNAEU-INIZCTEOSA-N 1 2 280.412 2.094 10 0 CEAELO C[N@@H+](CC1CCCC1)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069233252 522650920 /nfs/dbraw/zinc/65/09/20/522650920.db2.gz BDNXZOOKDPNAEU-INIZCTEOSA-N 1 2 280.412 2.094 10 0 CEAELO C[N@H+](Cc1ccncc1)Cc1nc2sccc2c(N)n1 ZINC000050814029 523462865 /nfs/dbraw/zinc/46/28/65/523462865.db2.gz KKEAXDZDJATQOY-UHFFFAOYSA-N 1 2 285.376 2.301 10 0 CEAELO C[N@@H+](Cc1ccncc1)Cc1nc2sccc2c(N)n1 ZINC000050814029 523462875 /nfs/dbraw/zinc/46/28/75/523462875.db2.gz KKEAXDZDJATQOY-UHFFFAOYSA-N 1 2 285.376 2.301 10 0 CEAELO COC(=O)[C@@H](CCOCC1CCCCC1)[NH2+]C1CC1 ZINC000062596012 523574046 /nfs/dbraw/zinc/57/40/46/523574046.db2.gz AUFAEMXSOGQOAI-CQSZACIVSA-N 1 2 269.385 2.267 10 0 CEAELO COC(=O)[C@@H](CCOc1c(C)cccc1C)[NH2+]C1CC1 ZINC000062547422 523574514 /nfs/dbraw/zinc/57/45/14/523574514.db2.gz ZPCQJMGCBLBWCN-CQSZACIVSA-N 1 2 277.364 2.366 10 0 CEAELO Cn1ccnc1C[N@H+](C)Cc1ccc(Cl)c(N)c1 ZINC000062246962 523595165 /nfs/dbraw/zinc/59/51/65/523595165.db2.gz PFUAKGVRIIMLIH-UHFFFAOYSA-N 1 2 264.760 2.288 10 0 CEAELO Cn1ccnc1C[N@@H+](C)Cc1ccc(Cl)c(N)c1 ZINC000062246962 523595173 /nfs/dbraw/zinc/59/51/73/523595173.db2.gz PFUAKGVRIIMLIH-UHFFFAOYSA-N 1 2 264.760 2.288 10 0 CEAELO COC(=O)[C@@H]([NH2+]CCC(=O)c1cccc(OC)c1)C(C)C ZINC000062709721 523626314 /nfs/dbraw/zinc/62/63/14/523626314.db2.gz GVHUDYNCNLBMSH-HNNXBMFYSA-N 1 2 293.363 2.055 10 0 CEAELO CCc1c(C)[nH+]c(-c2ccc(OC)c(O)c2)nc1N ZINC000050866451 523708448 /nfs/dbraw/zinc/70/84/48/523708448.db2.gz CKBDEBWDPUABMH-UHFFFAOYSA-N 1 2 259.309 2.311 10 0 CEAELO COC(=O)[C@@](C)(C[C@@H](C)Sc1ncccn1)[NH2+]C1CC1 ZINC000068638190 523815831 /nfs/dbraw/zinc/81/58/31/523815831.db2.gz VHBZZYRWBXUCPW-QMTHXVAHSA-N 1 2 295.408 2.031 10 0 CEAELO COC(=O)[C@](COc1ccccc1)([NH2+]C1CC1)C1CC1 ZINC000069197620 524005106 /nfs/dbraw/zinc/00/51/06/524005106.db2.gz FOJCDGLPDXDYQL-MRXNPFEDSA-N 1 2 275.348 2.139 10 0 CEAELO CCc1ccc(OC[C@@]([NH2+]C)(C(=O)OC)C2CC2)cc1 ZINC000069197185 524007346 /nfs/dbraw/zinc/00/73/46/524007346.db2.gz YIZDRFDCTZGWKZ-INIZCTEOSA-N 1 2 277.364 2.169 10 0 CEAELO COc1ccc(Cc2nc(N)c3c([nH+]2)CCC3)cc1 ZINC000050844730 524163364 /nfs/dbraw/zinc/16/33/64/524163364.db2.gz LEGXAUPQCNTNCK-UHFFFAOYSA-N 1 2 255.321 2.147 10 0 CEAELO COc1ccc(Cl)cc1NC(=O)c1cccc(NN)[nH+]1 ZINC000051092177 524242231 /nfs/dbraw/zinc/24/22/31/524242231.db2.gz OJUPSNXSTGAFQO-UHFFFAOYSA-N 1 2 292.726 2.282 10 0 CEAELO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccncn1 ZINC000054789364 524327207 /nfs/dbraw/zinc/32/72/07/524327207.db2.gz RGQYXCFBWNPVDR-SNVBAGLBSA-N 1 2 261.300 2.475 10 0 CEAELO Cc1cccc(N2N=C(C(C)C)[C@H](CC[NH3+])C2=O)c1 ZINC000069506195 524567146 /nfs/dbraw/zinc/56/71/46/524567146.db2.gz CFOYUTTUQDVDRO-ZDUSSCGKSA-N 1 2 259.353 2.319 10 0 CEAELO COc1ccc(OC)c(-c2[nH+]c(C(C)(C)C)n(N)c2N)c1 ZINC000052839716 524796075 /nfs/dbraw/zinc/79/60/75/524796075.db2.gz ZIUYDYMMDKGVBY-UHFFFAOYSA-N 1 2 290.367 2.161 10 0 CEAELO C[C@@H]1C[C@@H]1Nc1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000052292661 525332340 /nfs/dbraw/zinc/33/23/40/525332340.db2.gz VEJLRQHOGQATBO-PELKAZGASA-N 1 2 261.394 2.415 10 0 CEAELO C[C@@H](Nc1ccc2[nH+]cccc2c1N)c1nncn1C ZINC000050417278 525714839 /nfs/dbraw/zinc/71/48/39/525714839.db2.gz AGDRYJWPJLYRPS-SECBINFHSA-N 1 2 268.324 2.119 10 0 CEAELO Cc1ccc(-c2oncc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000062619900 525889551 /nfs/dbraw/zinc/88/95/51/525889551.db2.gz IVASXSSSTWDISC-UHFFFAOYSA-N 1 2 285.347 2.038 10 0 CEAELO O=C(CC[N@H+]1CC[C@@H](O)C1)c1ccccc1Br ZINC000061711730 526492499 /nfs/dbraw/zinc/49/24/99/526492499.db2.gz SYULJLYWLXFSHN-SNVBAGLBSA-N 1 2 298.180 2.089 10 0 CEAELO O=C(CC[N@@H+]1CC[C@@H](O)C1)c1ccccc1Br ZINC000061711730 526492509 /nfs/dbraw/zinc/49/25/09/526492509.db2.gz SYULJLYWLXFSHN-SNVBAGLBSA-N 1 2 298.180 2.089 10 0 CEAELO c1cn(-c2ccccc2NCc2ccncn2)c[nH+]1 ZINC000054788987 526527833 /nfs/dbraw/zinc/52/78/33/526527833.db2.gz MLOFEXWNYRZZAL-UHFFFAOYSA-N 1 2 251.293 2.274 10 0 CEAELO Cc1nc(-c2cccc(NCc3c[nH+]c(C)[nH]3)c2)n[nH]1 ZINC000054822351 526900041 /nfs/dbraw/zinc/90/00/41/526900041.db2.gz MVFOZHHIEACVEY-UHFFFAOYSA-N 1 2 268.324 2.424 10 0 CEAELO Cc1nc(-c2cccc(NCc3c[nH]c(C)[nH+]3)c2)n[nH]1 ZINC000054822351 526900044 /nfs/dbraw/zinc/90/00/44/526900044.db2.gz MVFOZHHIEACVEY-UHFFFAOYSA-N 1 2 268.324 2.424 10 0 CEAELO Clc1nc(NCC2CCCC2)nc(-n2cc[nH+]c2)n1 ZINC000061537281 527004671 /nfs/dbraw/zinc/00/46/71/527004671.db2.gz XQZNFMXCOWRPNV-UHFFFAOYSA-N 1 2 278.747 2.313 10 0 CEAELO Clc1nc(NCc2cccs2)nc(-n2cc[nH+]c2)n1 ZINC000061536981 527006235 /nfs/dbraw/zinc/00/62/35/527006235.db2.gz INUQMTJJRFCXGF-UHFFFAOYSA-N 1 2 292.755 2.384 10 0 CEAELO Clc1nc(Sc2ccccn2)nc(-n2cc[nH+]c2)n1 ZINC000061543751 527007369 /nfs/dbraw/zinc/00/73/69/527007369.db2.gz LQSMMQDEGYRIOA-UHFFFAOYSA-N 1 2 290.739 2.257 10 0 CEAELO NC(=S)c1ccc(F)cc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000069403060 527119180 /nfs/dbraw/zinc/11/91/80/527119180.db2.gz SSTCTAKMWJJCNB-KBPBESRZSA-N 1 2 294.395 2.213 10 0 CEAELO NC(=S)c1ccc(F)cc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000069403060 527119184 /nfs/dbraw/zinc/11/91/84/527119184.db2.gz SSTCTAKMWJJCNB-KBPBESRZSA-N 1 2 294.395 2.213 10 0 CEAELO Nc1ccc(NC(=O)c2cc3ccccc3[nH]2)c[nH+]1 ZINC000061680581 527493135 /nfs/dbraw/zinc/49/31/35/527493135.db2.gz XHPXMFPZSIDKIA-UHFFFAOYSA-N 1 2 252.277 2.397 10 0 CEAELO Nc1[nH+]c2ccccc2cc1CN1C(=O)CCCCC1=O ZINC000050829472 527561703 /nfs/dbraw/zinc/56/17/03/527561703.db2.gz MBXSMXNWJFQSOX-UHFFFAOYSA-N 1 2 283.331 2.246 10 0 CEAELO Nc1[nH+]c2ccccc2cc1CSc1nc[nH]n1 ZINC000050833913 527563050 /nfs/dbraw/zinc/56/30/50/527563050.db2.gz ZMASQNVLVZWEKF-UHFFFAOYSA-N 1 2 257.322 2.227 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(O)c1)C2 ZINC000220593577 538802345 /nfs/dbraw/zinc/80/23/45/538802345.db2.gz KKYYNJBQJYYRBS-SNVBAGLBSA-N 1 2 271.320 2.167 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(O)c1)CC2 ZINC000220593577 538802350 /nfs/dbraw/zinc/80/23/50/538802350.db2.gz KKYYNJBQJYYRBS-SNVBAGLBSA-N 1 2 271.320 2.167 10 0 CEAELO CCCCCC[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000173067685 639840037 /nfs/dbraw/zinc/84/00/37/639840037.db2.gz MWUYDNSYKNWQCW-HUUCEWRRSA-N 1 2 284.444 2.430 10 0 CEAELO Cc1ncc(C[NH+]2CCN(C/C=C/Cl)CC2)s1 ZINC000105911184 640974938 /nfs/dbraw/zinc/97/49/38/640974938.db2.gz FWIOWUMPZWGCBW-NSCUHMNNSA-N 1 2 271.817 2.322 10 0 CEAELO CCOC(CN1CCc2c([nH+]c(C(C)C)n2C)C1)OCC ZINC000184968962 641923903 /nfs/dbraw/zinc/92/39/03/641923903.db2.gz ALLDBSUXSJJPLB-UHFFFAOYSA-N 1 2 295.427 2.301 10 0 CEAELO COC(=O)[C@@H](c1cccc(Br)c1)[NH+](C)C ZINC000095532577 185004900 /nfs/dbraw/zinc/00/49/00/185004900.db2.gz NWSVALAWAZQDHM-SNVBAGLBSA-N 1 2 272.142 2.225 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000121406349 365564990 /nfs/dbraw/zinc/56/49/90/365564990.db2.gz YIROHDGZBHAFLY-AAEUAGOBSA-N 1 2 263.341 2.063 10 0 CEAELO CC1CCC(Nc2nc(N)[nH+]c(N3CCCC3)n2)CC1 ZINC000097030781 185154603 /nfs/dbraw/zinc/15/46/03/185154603.db2.gz ITEIODZBRLQTNL-UHFFFAOYSA-N 1 2 276.388 2.045 10 0 CEAELO CC1CCC(Nc2nc(N)nc(N3CCCC3)[nH+]2)CC1 ZINC000097030781 185154605 /nfs/dbraw/zinc/15/46/05/185154605.db2.gz ITEIODZBRLQTNL-UHFFFAOYSA-N 1 2 276.388 2.045 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCCCC1)C2 ZINC000220574409 539258276 /nfs/dbraw/zinc/25/82/76/539258276.db2.gz UKEYZAZPAJVCBP-GFCCVEGCSA-N 1 2 261.369 2.226 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCCCC1)CC2 ZINC000220574409 539258277 /nfs/dbraw/zinc/25/82/77/539258277.db2.gz UKEYZAZPAJVCBP-GFCCVEGCSA-N 1 2 261.369 2.226 10 0 CEAELO CCOC(=O)C[NH2+]C[C@H](C)Nc1cccc(Cl)c1 ZINC000039001603 343434918 /nfs/dbraw/zinc/43/49/18/343434918.db2.gz QTOQUHAOWODUDL-JTQLQIEISA-N 1 2 270.760 2.293 10 0 CEAELO O=C(CN1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000044440910 343472007 /nfs/dbraw/zinc/47/20/07/343472007.db2.gz UMCUDEVADJKBQU-UHFFFAOYSA-N 1 2 284.359 2.280 10 0 CEAELO CCC[C@@H]([NH2+][C@@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000154856778 344436393 /nfs/dbraw/zinc/43/63/93/344436393.db2.gz RDXIGPCETUBVRV-VXGBXAGGSA-N 1 2 257.374 2.265 10 0 CEAELO CC(C)(C)OC(=O)N1CCN(c2ccc([NH3+])c(O)c2)CC1 ZINC000165857166 344474949 /nfs/dbraw/zinc/47/49/49/344474949.db2.gz VCQWABXRDVKYOE-UHFFFAOYSA-N 1 2 293.367 2.032 10 0 CEAELO C[C@@H]([NH2+]CC(F)F)[C@H](C)NC(=O)OC(C)(C)C ZINC000307689135 344724283 /nfs/dbraw/zinc/72/42/83/344724283.db2.gz GIRQXKUCGMOLHZ-SFYZADRCSA-N 1 2 252.305 2.143 10 0 CEAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1cccn1C1CC1 ZINC000328640154 344757321 /nfs/dbraw/zinc/75/73/21/344757321.db2.gz XFNPGJXGZMZUQN-CYBMUJFWSA-N 1 2 298.390 2.354 10 0 CEAELO Cn1cc[nH+]c1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000584648001 344973032 /nfs/dbraw/zinc/97/30/32/344973032.db2.gz SXFBRUGZMJPMMA-LLVKDONJSA-N 1 2 265.357 2.220 10 0 CEAELO CCNc1nc(C)[nH+]c(CC)c1I ZINC000085460815 179068471 /nfs/dbraw/zinc/06/84/71/179068471.db2.gz NGSDNYCPHVLWNI-UHFFFAOYSA-N 1 2 291.136 2.384 10 0 CEAELO Cc1cc(Cl)ccc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000129401392 365854860 /nfs/dbraw/zinc/85/48/60/365854860.db2.gz SKINOWZNSMTOAA-LBPRGKRZSA-N 1 2 296.798 2.099 10 0 CEAELO COC(=O)[C@H](NC1=[NH+]C[C@H](C)CS1)c1ccccc1 ZINC000086633248 179314841 /nfs/dbraw/zinc/31/48/41/179314841.db2.gz ZLHUAGJEDIKLOP-CMPLNLGQSA-N 1 2 278.377 2.229 10 0 CEAELO Cc1cc[nH+]c(N)c1C(=O)[C@@H]1CSCCS1 ZINC000086981851 179373934 /nfs/dbraw/zinc/37/39/34/179373934.db2.gz KOZJYEVRZGIFGI-QMMMGPOBSA-N 1 2 254.380 2.004 10 0 CEAELO CCn1ccnc1[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000086998598 179378126 /nfs/dbraw/zinc/37/81/26/179378126.db2.gz KFOLAASHSWGKIU-LLVKDONJSA-N 1 2 255.243 2.368 10 0 CEAELO CC(C)(C)OC(=O)N1CCCO[C@@H](n2cc[nH+]c2)C1 ZINC000616651450 348548597 /nfs/dbraw/zinc/54/85/97/348548597.db2.gz OANSWEUCBYEYDR-LLVKDONJSA-N 1 2 267.329 2.039 10 0 CEAELO CC(=O)N1c2ccccc2NC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616586391 348526613 /nfs/dbraw/zinc/52/66/13/348526613.db2.gz ONAOAUKPZQALST-CQSZACIVSA-N 1 2 268.320 2.014 10 0 CEAELO CCCc1c(Sc2nc(C)ns2)nc[nH+]c1NN ZINC000087895767 179516010 /nfs/dbraw/zinc/51/60/10/179516010.db2.gz YGWWLYMIYVKJFB-UHFFFAOYSA-N 1 2 282.398 2.026 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1cscn1 ZINC000104447272 186005007 /nfs/dbraw/zinc/00/50/07/186005007.db2.gz FLESQGLXRXMSMG-MRVPVSSYSA-N 1 2 250.371 2.344 10 0 CEAELO Nc1nc2ccccc2cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907386 180061121 /nfs/dbraw/zinc/06/11/21/180061121.db2.gz AIZHMKXSAQROTE-OKILXGFUSA-N 1 2 269.348 2.180 10 0 CEAELO Nc1nc2ccccc2cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907386 180061125 /nfs/dbraw/zinc/06/11/25/180061125.db2.gz AIZHMKXSAQROTE-OKILXGFUSA-N 1 2 269.348 2.180 10 0 CEAELO CCn1cc[nH+]c1Cn1cc(CO)c2ccccc21 ZINC000091006480 180084739 /nfs/dbraw/zinc/08/47/39/180084739.db2.gz QXLVYRUANZBSOQ-UHFFFAOYSA-N 1 2 255.321 2.398 10 0 CEAELO CCn1cc[nH+]c1Cn1cc(C=O)c2cccnc21 ZINC000091017142 180087269 /nfs/dbraw/zinc/08/72/69/180087269.db2.gz BHOVVLHKHHWIBL-UHFFFAOYSA-N 1 2 254.293 2.114 10 0 CEAELO CC[C@H](C)[C@H]([NH2+]Cc1cccn1CC)C(=O)OC ZINC000091024769 180089431 /nfs/dbraw/zinc/08/94/31/180089431.db2.gz PUSYKHREKBPPCT-AAEUAGOBSA-N 1 2 252.358 2.185 10 0 CEAELO Cc1[nH]c2ccc(CN3C[C@]4(CCOC4)CCC3=O)cc2[nH+]1 ZINC000091563384 180192662 /nfs/dbraw/zinc/19/26/62/180192662.db2.gz YUIQRTJJOWHXHR-QGZVFWFLSA-N 1 2 299.374 2.400 10 0 CEAELO Cc1[nH]c2cc(CN3C[C@]4(CCOC4)CCC3=O)ccc2[nH+]1 ZINC000091563384 180192664 /nfs/dbraw/zinc/19/26/64/180192664.db2.gz YUIQRTJJOWHXHR-QGZVFWFLSA-N 1 2 299.374 2.400 10 0 CEAELO CC[C@](C)(C(=O)Cc1cccc(OC)c1)[NH+]1CCOCC1 ZINC000091610740 180205973 /nfs/dbraw/zinc/20/59/73/180205973.db2.gz YWOBICNBLBXSEL-QGZVFWFLSA-N 1 2 291.391 2.308 10 0 CEAELO NC(=O)c1ccc(F)c(C[N@@H+]2Cc3ccc(N)cc3C2)c1 ZINC000091502368 180175516 /nfs/dbraw/zinc/17/55/16/180175516.db2.gz GCDZOLIZFWVDKK-UHFFFAOYSA-N 1 2 285.322 2.023 10 0 CEAELO NC(=O)c1ccc(F)c(C[N@H+]2Cc3ccc(N)cc3C2)c1 ZINC000091502368 180175517 /nfs/dbraw/zinc/17/55/17/180175517.db2.gz GCDZOLIZFWVDKK-UHFFFAOYSA-N 1 2 285.322 2.023 10 0 CEAELO COC(=O)c1cc(N[C@@H](CO)c2ccccc2)cc[nH+]1 ZINC000091544825 180185673 /nfs/dbraw/zinc/18/56/73/180185673.db2.gz NMQHZIRZJYUYJI-AWEZNQCLSA-N 1 2 272.304 2.014 10 0 CEAELO Cc1ccc(Cl)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105280348 186049815 /nfs/dbraw/zinc/04/98/15/186049815.db2.gz KWFSHILFZAAKLE-GFCCVEGCSA-N 1 2 297.786 2.101 10 0 CEAELO Cc1ccc(Cl)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105280348 186049816 /nfs/dbraw/zinc/04/98/16/186049816.db2.gz KWFSHILFZAAKLE-GFCCVEGCSA-N 1 2 297.786 2.101 10 0 CEAELO Clc1cc(Cl)nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091687623 180226363 /nfs/dbraw/zinc/22/63/63/180226363.db2.gz OCFNMVQAYJCNMS-SFYZADRCSA-N 1 2 274.151 2.319 10 0 CEAELO Clc1cc(Cl)nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000091687623 180226364 /nfs/dbraw/zinc/22/63/64/180226364.db2.gz OCFNMVQAYJCNMS-SFYZADRCSA-N 1 2 274.151 2.319 10 0 CEAELO Cc1cccc2sc(NC[C@@H]3C[N@H+](C)CCO3)nc21 ZINC000091946069 180290890 /nfs/dbraw/zinc/29/08/90/180290890.db2.gz PQGCVLYDITVWEG-LLVKDONJSA-N 1 2 277.393 2.347 10 0 CEAELO Cc1cccc2sc(NC[C@@H]3C[N@@H+](C)CCO3)nc21 ZINC000091946069 180290891 /nfs/dbraw/zinc/29/08/91/180290891.db2.gz PQGCVLYDITVWEG-LLVKDONJSA-N 1 2 277.393 2.347 10 0 CEAELO CC(C)c1nc(C[NH+]2CCC(Cn3cccn3)CC2)no1 ZINC000105887225 186084298 /nfs/dbraw/zinc/08/42/98/186084298.db2.gz RGKVHHKHXXGKQW-UHFFFAOYSA-N 1 2 289.383 2.302 10 0 CEAELO Nc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)c[nH+]1 ZINC000092231954 180348524 /nfs/dbraw/zinc/34/85/24/180348524.db2.gz UOTQKOSKFQHTQR-GFCCVEGCSA-N 1 2 271.345 2.319 10 0 CEAELO CC[NH2+]Cc1noc([C@@H]2CSc3ccccc32)n1 ZINC000092240214 180351456 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COC[C@@H]([NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000159332555 540081194 /nfs/dbraw/zinc/08/11/94/540081194.db2.gz VBLXGUZPMKSUMJ-SECBINFHSA-N 1 2 298.140 2.145 10 0 CEAELO C[C@H]1C[C@@H](O)C[N@H+](Cc2cncc(Br)c2)C1 ZINC000334745923 291088088 /nfs/dbraw/zinc/08/80/88/291088088.db2.gz KXJWNVUCDIPJTF-JOYOIKCWSA-N 1 2 285.185 2.047 10 0 CEAELO C[C@H]1C[C@@H](O)C[N@@H+](Cc2cncc(Br)c2)C1 ZINC000334745923 291088091 /nfs/dbraw/zinc/08/80/91/291088091.db2.gz KXJWNVUCDIPJTF-JOYOIKCWSA-N 1 2 285.185 2.047 10 0 CEAELO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2nnc(C3CC3)n2C)C1(C)C ZINC000076150825 363526928 /nfs/dbraw/zinc/52/69/28/363526928.db2.gz UUVQHZNBSICEQS-WBMJQRKESA-N 1 2 292.427 2.328 10 0 CEAELO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2nnc(C3CC3)n2C)C1(C)C ZINC000076150825 363526933 /nfs/dbraw/zinc/52/69/33/363526933.db2.gz UUVQHZNBSICEQS-WBMJQRKESA-N 1 2 292.427 2.328 10 0 CEAELO O=C(c1cc(Cl)ccn1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177753610 189067294 /nfs/dbraw/zinc/06/72/94/189067294.db2.gz 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361642503 /nfs/dbraw/zinc/64/25/03/361642503.db2.gz LVIAPFXPPMSTFF-OAHLLOKOSA-N 1 2 265.353 2.486 10 0 CEAELO COC(=O)c1cccnc1C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000340288897 366837661 /nfs/dbraw/zinc/83/76/61/366837661.db2.gz SHXOJYZTPLYTRE-AWEZNQCLSA-N 1 2 294.420 2.442 10 0 CEAELO COC(=O)c1cccnc1C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000340288897 366837665 /nfs/dbraw/zinc/83/76/65/366837665.db2.gz SHXOJYZTPLYTRE-AWEZNQCLSA-N 1 2 294.420 2.442 10 0 CEAELO CCC1(C[N@@H+]2CCOCC(F)(F)C2)CCOCC1 ZINC000335673176 212392352 /nfs/dbraw/zinc/39/23/52/212392352.db2.gz IOSHRWRTUCXAEN-UHFFFAOYSA-N 1 2 263.328 2.161 10 0 CEAELO CCC1(C[N@H+]2CCOCC(F)(F)C2)CCOCC1 ZINC000335673176 212392353 /nfs/dbraw/zinc/39/23/53/212392353.db2.gz IOSHRWRTUCXAEN-UHFFFAOYSA-N 1 2 263.328 2.161 10 0 CEAELO c1csc([C@H]2C[N@H+](CCc3ccccn3)CCO2)n1 ZINC000103479059 364660117 /nfs/dbraw/zinc/66/01/17/364660117.db2.gz CAVQHAVWEOZHBX-CYBMUJFWSA-N 1 2 275.377 2.154 10 0 CEAELO c1csc([C@H]2C[N@@H+](CCc3ccccn3)CCO2)n1 ZINC000103479059 364660122 /nfs/dbraw/zinc/66/01/22/364660122.db2.gz CAVQHAVWEOZHBX-CYBMUJFWSA-N 1 2 275.377 2.154 10 0 CEAELO C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000119854357 365335471 /nfs/dbraw/zinc/33/54/71/365335471.db2.gz OWHSACRWIIEITF-UONOGXRCSA-N 1 2 282.428 2.040 10 0 CEAELO C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000119854357 365335479 /nfs/dbraw/zinc/33/54/79/365335479.db2.gz OWHSACRWIIEITF-UONOGXRCSA-N 1 2 282.428 2.040 10 0 CEAELO CSCCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000173722225 367937210 /nfs/dbraw/zinc/93/72/10/367937210.db2.gz DYUAOKJBEGPWBD-SNVBAGLBSA-N 1 2 258.412 2.270 10 0 CEAELO CSCCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000173722225 367937212 /nfs/dbraw/zinc/93/72/12/367937212.db2.gz DYUAOKJBEGPWBD-SNVBAGLBSA-N 1 2 258.412 2.270 10 0 CEAELO COC[C@@H](C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173931645 367961351 /nfs/dbraw/zinc/96/13/51/367961351.db2.gz LLOKMHBCWFFWKQ-OLZOCXBDSA-N 1 2 287.363 2.332 10 0 CEAELO C[C@](O)(CNc1ccc2ccccc2[nH+]1)C(F)(F)F 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CCc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)OC)C2)n1 ZINC000249875654 371368578 /nfs/dbraw/zinc/36/85/78/371368578.db2.gz LPJNEIQGRHVJMK-GHMZBOCLSA-N 1 2 282.409 2.446 10 0 CEAELO CCc1csc([C@@H]2CCC[N@H+]([C@H](C)C(=O)OC)C2)n1 ZINC000249875654 371368580 /nfs/dbraw/zinc/36/85/80/371368580.db2.gz LPJNEIQGRHVJMK-GHMZBOCLSA-N 1 2 282.409 2.446 10 0 CEAELO C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000251646338 371409983 /nfs/dbraw/zinc/40/99/83/371409983.db2.gz JNMIIQVTFNEEEB-KBUPBQIOSA-N 1 2 290.407 2.362 10 0 CEAELO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1noc(-c2ccccc2)n1 ZINC000639941715 371691365 /nfs/dbraw/zinc/69/13/65/371691365.db2.gz PMEZGBACVCETJZ-DGCLKSJQSA-N 1 2 273.336 2.082 10 0 CEAELO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1noc(-c2ccccc2)n1 ZINC000639941715 371691368 /nfs/dbraw/zinc/69/13/68/371691368.db2.gz PMEZGBACVCETJZ-DGCLKSJQSA-N 1 2 273.336 2.082 10 0 CEAELO Cc1cc(N2CCC(COc3ccccn3)CC2)nc[nH+]1 ZINC000301590835 379290247 /nfs/dbraw/zinc/29/02/47/379290247.db2.gz XYHQYTQQCCCVNX-UHFFFAOYSA-N 1 2 284.363 2.475 10 0 CEAELO COC(=O)[C@]1([NH2+]C2CC2)CC[C@@H](OCCC(C)C)C1 ZINC000093835929 184730398 /nfs/dbraw/zinc/73/03/98/184730398.db2.gz ABDLTKCSQBFXIN-HIFRSBDPSA-N 1 2 269.385 2.265 10 0 CEAELO Cc1cc(F)c([C@H](C)[NH2+][C@H]2C=CS(=O)(=O)C2)cc1F ZINC000094737430 184849877 /nfs/dbraw/zinc/84/98/77/184849877.db2.gz ZMAOVVZWWBIXGW-UWVGGRQHSA-N 1 2 287.331 2.235 10 0 CEAELO Cc1ccc(C(N)=S)c(N2C[C@@H](C)OC(C)(C)C2)[nH+]1 ZINC000041681126 134884259 /nfs/dbraw/zinc/88/42/59/134884259.db2.gz RHFAYPGSQPHQIO-SNVBAGLBSA-N 1 2 279.409 2.028 10 0 CEAELO OC1(C[NH2+]c2ccc(N3CCOCC3)cc2)CCCC1 ZINC000087459952 135050109 /nfs/dbraw/zinc/05/01/09/135050109.db2.gz CQODVCFHOMINHA-UHFFFAOYSA-N 1 2 276.380 2.240 10 0 CEAELO Cc1cc[nH+]c2c1NC(=O)[C@H]1c3ccccc3CCN21 ZINC000092555381 135076789 /nfs/dbraw/zinc/07/67/89/135076789.db2.gz BWGGFRUVLXHASP-CQSZACIVSA-N 1 2 265.316 2.446 10 0 CEAELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1noc(-c2ccccc2)n1 ZINC000296078624 395307354 /nfs/dbraw/zinc/30/73/54/395307354.db2.gz GVOUAHHZLRQQBV-WCQYABFASA-N 1 2 273.336 2.082 10 0 CEAELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1noc(-c2ccccc2)n1 ZINC000296078624 395307361 /nfs/dbraw/zinc/30/73/61/395307361.db2.gz GVOUAHHZLRQQBV-WCQYABFASA-N 1 2 273.336 2.082 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H]1CC[C@H](C)O1)C2 ZINC000188577520 395317699 /nfs/dbraw/zinc/31/76/99/395317699.db2.gz JNBCBDYGVAZWFF-QWHCGFSZSA-N 1 2 277.412 2.469 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@H]1CC[C@H](C)O1)C2 ZINC000188577520 395317704 /nfs/dbraw/zinc/31/77/04/395317704.db2.gz JNBCBDYGVAZWFF-QWHCGFSZSA-N 1 2 277.412 2.469 10 0 CEAELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@H]1CC[C@H](C)O1)C2 ZINC000188577520 395317709 /nfs/dbraw/zinc/31/77/09/395317709.db2.gz JNBCBDYGVAZWFF-QWHCGFSZSA-N 1 2 277.412 2.469 10 0 CEAELO CCn1c(C)nnc1C[N@H+](C)CCOc1ccccc1 ZINC000195015494 395456993 /nfs/dbraw/zinc/45/69/93/395456993.db2.gz AMMFGIDOTAKFKL-UHFFFAOYSA-N 1 2 274.368 2.117 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](C)CCOc1ccccc1 ZINC000195015494 395456997 /nfs/dbraw/zinc/45/69/97/395456997.db2.gz AMMFGIDOTAKFKL-UHFFFAOYSA-N 1 2 274.368 2.117 10 0 CEAELO CCn1cc([C@H]2C[N@H+](Cc3cnc(C)s3)CCO2)cn1 ZINC000191701911 153184269 /nfs/dbraw/zinc/18/42/69/153184269.db2.gz JLWJNKSCHORCHP-CQSZACIVSA-N 1 2 292.408 2.241 10 0 CEAELO CCn1cc([C@H]2C[N@@H+](Cc3cnc(C)s3)CCO2)cn1 ZINC000191701911 153184273 /nfs/dbraw/zinc/18/42/73/153184273.db2.gz JLWJNKSCHORCHP-CQSZACIVSA-N 1 2 292.408 2.241 10 0 CEAELO C=Cn1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)cn1 ZINC000193851841 153242598 /nfs/dbraw/zinc/24/25/98/153242598.db2.gz FLWJHZJTYCYJNS-UHFFFAOYSA-N 1 2 257.341 2.086 10 0 CEAELO CC(C)NC(=O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195367665 153289089 /nfs/dbraw/zinc/28/90/89/153289089.db2.gz YKYCXCXWIFAQQZ-NSHDSACASA-N 1 2 267.398 2.195 10 0 CEAELO CC(C)NC(=O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195367665 153289090 /nfs/dbraw/zinc/28/90/90/153289090.db2.gz YKYCXCXWIFAQQZ-NSHDSACASA-N 1 2 267.398 2.195 10 0 CEAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2CCn2cccn2)no1 ZINC000195376145 153289419 /nfs/dbraw/zinc/28/94/19/153289419.db2.gz MANNAKDUMCDYSS-LBPRGKRZSA-N 1 2 275.356 2.227 10 0 CEAELO CC(C)c1nc([C@@H]2CCC[N@H+]2CCn2cccn2)no1 ZINC000195376145 153289424 /nfs/dbraw/zinc/28/94/24/153289424.db2.gz MANNAKDUMCDYSS-LBPRGKRZSA-N 1 2 275.356 2.227 10 0 CEAELO O=C(Nc1cc(C2CCCCC2)[nH]n1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263204711 154036262 /nfs/dbraw/zinc/03/62/62/154036262.db2.gz JOCJQBKCIFASEW-LLVKDONJSA-N 1 2 298.337 2.393 10 0 CEAELO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(C3CC3)n2C)C1(C)C ZINC000172666150 165062490 /nfs/dbraw/zinc/06/24/90/165062490.db2.gz NMQKRWNXHQFQHQ-CHWSQXEVSA-N 1 2 292.427 2.328 10 0 CEAELO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(C3CC3)n2C)C1(C)C ZINC000172666150 165062493 /nfs/dbraw/zinc/06/24/93/165062493.db2.gz NMQKRWNXHQFQHQ-CHWSQXEVSA-N 1 2 292.427 2.328 10 0 CEAELO COCCOCC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000175743149 165144421 /nfs/dbraw/zinc/14/44/21/165144421.db2.gz HMQWYWSGSKGIBL-UHFFFAOYSA-N 1 2 297.399 2.215 10 0 CEAELO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccccn2)n1C ZINC000181787231 165356489 /nfs/dbraw/zinc/35/64/89/165356489.db2.gz JOXMMULQFOVVNA-NSHDSACASA-N 1 2 259.357 2.184 10 0 CEAELO C[C@H](C(=O)Nc1nc2ccc(N)cc2s1)n1cc[nH+]c1 ZINC000022165882 171365902 /nfs/dbraw/zinc/36/59/02/171365902.db2.gz QFBIENHDFPCDJU-MRVPVSSYSA-N 1 2 287.348 2.275 10 0 CEAELO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C(=O)N(C)C ZINC000035138979 172007448 /nfs/dbraw/zinc/00/74/48/172007448.db2.gz RPRWRJDBFQCTCY-CZUORRHYSA-N 1 2 283.375 2.237 10 0 CEAELO COC(=O)[C@H](C)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000035207748 172052920 /nfs/dbraw/zinc/05/29/20/172052920.db2.gz OLVVFGJUZJETQS-SSDOTTSWSA-N 1 2 254.236 2.124 10 0 CEAELO C[NH+]1CCN(c2n[nH]c(=S)n2C2CCCCC2)CC1 ZINC000035222126 172065815 /nfs/dbraw/zinc/06/58/15/172065815.db2.gz DUGSTDOCYJIHQA-UHFFFAOYSA-N 1 2 281.429 2.198 10 0 CEAELO O=C(CCn1cc[nH+]c1)Nc1cccc(Br)n1 ZINC000035678703 172349804 /nfs/dbraw/zinc/34/98/04/172349804.db2.gz QBSUXDDTFPXNTG-UHFFFAOYSA-N 1 2 295.140 2.069 10 0 CEAELO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C)sc1C ZINC000036959506 172829526 /nfs/dbraw/zinc/82/95/26/172829526.db2.gz AQWJJKUHXIJVQN-BDAKNGLRSA-N 1 2 269.414 2.325 10 0 CEAELO CC(C)c1noc(CSc2ccc(N)[nH+]c2)n1 ZINC000037192240 173021468 /nfs/dbraw/zinc/02/14/68/173021468.db2.gz GSMASEZUIFSJIH-UHFFFAOYSA-N 1 2 250.327 2.463 10 0 CEAELO CCC[NH2+][C@](C)(C(=O)OCC)c1ccc(OC)cc1 ZINC000037513553 173244880 /nfs/dbraw/zinc/24/48/80/173244880.db2.gz YLWHWRQZWFXPDI-HNNXBMFYSA-N 1 2 265.353 2.473 10 0 CEAELO CCOC(=O)[C@@](C)([NH3+])c1ccc(OC(F)F)cc1 ZINC000037514865 173247044 /nfs/dbraw/zinc/24/70/44/173247044.db2.gz RSLJJTJNDNUEKS-LBPRGKRZSA-N 1 2 259.252 2.025 10 0 CEAELO COc1c(C)cnc(C[NH2+]Cc2ccnc(C)n2)c1C ZINC000038038076 174038433 /nfs/dbraw/zinc/03/84/33/174038433.db2.gz GCNFYVYUZWWIHI-UHFFFAOYSA-N 1 2 272.352 2.095 10 0 CEAELO COc1c(C)c[nH+]c(CNCc2ccnc(C)n2)c1C ZINC000038038076 174038436 /nfs/dbraw/zinc/03/84/36/174038436.db2.gz GCNFYVYUZWWIHI-UHFFFAOYSA-N 1 2 272.352 2.095 10 0 CEAELO CCOC1CC[NH+](CC(=O)c2ccc(O)cc2)CC1 ZINC000040689716 174376259 /nfs/dbraw/zinc/37/62/59/174376259.db2.gz SXWKJACYWAYJOZ-UHFFFAOYSA-N 1 2 263.337 2.076 10 0 CEAELO CCCc1cc(NCCC(=O)N[C@@H](C)CC)nc[nH+]1 ZINC000040765706 174397898 /nfs/dbraw/zinc/39/78/98/174397898.db2.gz COHJFKKLPNAXIC-NSHDSACASA-N 1 2 264.373 2.146 10 0 CEAELO CCCc1nsc(NCc2ccccc2C[NH2+]C)n1 ZINC000404505609 414787461 /nfs/dbraw/zinc/78/74/61/414787461.db2.gz AFXQHWWMZNDJMS-UHFFFAOYSA-N 1 2 276.409 2.244 10 0 CEAELO CC[C@@H](C)N(CCOC)c1[nH+]c(C)ccc1C(N)=S ZINC000043396993 175036624 /nfs/dbraw/zinc/03/66/24/175036624.db2.gz FUFNOBXOKGOJMH-LLVKDONJSA-N 1 2 281.425 2.276 10 0 CEAELO Cc1cc(C[NH2+]CC(=O)Nc2ccccc2Cl)on1 ZINC000044991600 175286087 /nfs/dbraw/zinc/28/60/87/175286087.db2.gz SKHTVVOTTJTGRN-UHFFFAOYSA-N 1 2 279.727 2.365 10 0 CEAELO CCC[NH2+][C@](C)(CN(C)c1ccccc1)C(=O)OC ZINC000045227596 175333812 /nfs/dbraw/zinc/33/38/12/175333812.db2.gz VBYHFXPYQGZVJQ-OAHLLOKOSA-N 1 2 264.369 2.054 10 0 CEAELO CC[NH2+][C@](C)(CN(CC)c1ccccc1)C(=O)OC ZINC000045232066 175335880 /nfs/dbraw/zinc/33/58/80/175335880.db2.gz HGWIKOZDQZTDND-OAHLLOKOSA-N 1 2 264.369 2.054 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265775 175338526 /nfs/dbraw/zinc/33/85/26/175338526.db2.gz OSQQXZCQWXQVDU-JSGCOSHPSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265775 175338527 /nfs/dbraw/zinc/33/85/27/175338527.db2.gz OSQQXZCQWXQVDU-JSGCOSHPSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280660 175351399 /nfs/dbraw/zinc/35/13/99/175351399.db2.gz LOLWSMRJAXKEIS-AWEZNQCLSA-N 1 2 258.406 2.196 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280660 175351400 /nfs/dbraw/zinc/35/14/00/175351400.db2.gz LOLWSMRJAXKEIS-AWEZNQCLSA-N 1 2 258.406 2.196 10 0 CEAELO CC[C@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000046269773 175394903 /nfs/dbraw/zinc/39/49/03/175394903.db2.gz OUDKCTJMRTWNOR-ZBFHGGJFSA-N 1 2 290.407 2.017 10 0 CEAELO CC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000046269774 175394938 /nfs/dbraw/zinc/39/49/38/175394938.db2.gz OUDKCTJMRTWNOR-GDBMZVCRSA-N 1 2 290.407 2.017 10 0 CEAELO C[C@@H](CC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000046269549 175395285 /nfs/dbraw/zinc/39/52/85/175395285.db2.gz FQAZRPXMZGOISS-GJZGRUSLSA-N 1 2 290.407 2.017 10 0 CEAELO O=[S@@]1CC[NH2+][C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000070674528 176000588 /nfs/dbraw/zinc/00/05/88/176000588.db2.gz SVIXEFBFUJODCM-BMIGLBTASA-N 1 2 264.177 2.386 10 0 CEAELO O=[S@]1CC[NH2+][C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000070674522 176000766 /nfs/dbraw/zinc/00/07/66/176000766.db2.gz SVIXEFBFUJODCM-MEBBXXQBSA-N 1 2 264.177 2.386 10 0 CEAELO CCOC(=O)[C@]1([NH2+]CCOC)CCC[C@@H](CC)C1 ZINC000071126197 176035594 /nfs/dbraw/zinc/03/55/94/176035594.db2.gz NWNXRWDWFOWRRE-OCCSQVGLSA-N 1 2 257.374 2.125 10 0 CEAELO COc1cccc(C[NH2+]Cc2nccn2C)c1OC(F)F ZINC000071140864 176039127 /nfs/dbraw/zinc/03/91/27/176039127.db2.gz QUHJHDCFAQXMFJ-UHFFFAOYSA-N 1 2 297.305 2.320 10 0 CEAELO NC(=S)c1cnc(Nc2ccc([NH+]3CCCC3)cc2)cn1 ZINC000071181412 176056959 /nfs/dbraw/zinc/05/69/59/176056959.db2.gz HGNPIRBBWBVZKE-UHFFFAOYSA-N 1 2 299.403 2.455 10 0 CEAELO Cn1cc[nH+]c1CN1C(=S)N=NC1c1ccccc1 ZINC000071274514 176106274 /nfs/dbraw/zinc/10/62/74/176106274.db2.gz MIJSDDQJIRSEPN-UHFFFAOYSA-N 1 2 271.349 2.016 10 0 CEAELO Cn1cc[nH+]c1CNc1ccc(N)c2ncccc12 ZINC000071275486 176106948 /nfs/dbraw/zinc/10/69/48/176106948.db2.gz IEYIEAXAJKQOEL-UHFFFAOYSA-N 1 2 253.309 2.163 10 0 CEAELO CCc1[nH+]ccn1-c1nc2ccccc2cc1C(N)=O ZINC000071386374 176147947 /nfs/dbraw/zinc/14/79/47/176147947.db2.gz YACHYMGBRLZUFC-UHFFFAOYSA-N 1 2 266.304 2.082 10 0 CEAELO CC(C)OC(=O)c1c(N)cccc1[C@H](C)[NH+]1CCOCC1 ZINC000071414054 176158877 /nfs/dbraw/zinc/15/88/77/176158877.db2.gz WDRHLKLLLRXWAH-LBPRGKRZSA-N 1 2 292.379 2.227 10 0 CEAELO Cc1ccc2[nH+]c(CCNC(=O)c3ccco3)cn2c1 ZINC000071490511 176190622 /nfs/dbraw/zinc/19/06/22/176190622.db2.gz QJIURYXEJHNCRK-UHFFFAOYSA-N 1 2 269.304 2.208 10 0 CEAELO [NH3+]Cc1nc(CN2CCC[C@H](C3CCCCC3)C2)no1 ZINC000662320787 415779345 /nfs/dbraw/zinc/77/93/45/415779345.db2.gz DRCMVOZARZQSFM-ZDUSSCGKSA-N 1 2 278.400 2.321 10 0 CEAELO CCN(C(=O)C[N@H+]1[C@H](C)COC[C@@H]1C)c1ccccc1 ZINC000077657770 177291593 /nfs/dbraw/zinc/29/15/93/177291593.db2.gz OHSPXSFZCIWYRZ-OKILXGFUSA-N 1 2 276.380 2.149 10 0 CEAELO CCN(C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C)c1ccccc1 ZINC000077657770 177291595 /nfs/dbraw/zinc/29/15/95/177291595.db2.gz OHSPXSFZCIWYRZ-OKILXGFUSA-N 1 2 276.380 2.149 10 0 CEAELO CCn1cc[nH+]c1C[S@@](=O)c1c(OC)cccc1OC ZINC000189678292 262174648 /nfs/dbraw/zinc/17/46/48/262174648.db2.gz FCTAEOBVBDJPFX-HXUWFJFHSA-N 1 2 294.376 2.228 10 0 CEAELO C[C@H](CNC(=O)[C@@H]1CCCCC1(C)C)[NH+]1CCOCC1 ZINC000193792415 270289557 /nfs/dbraw/zinc/28/95/57/270289557.db2.gz JTSNZHMSCDXXHB-KGLIPLIRSA-N 1 2 282.428 2.040 10 0 CEAELO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1noc(C[NH3+])n1 ZINC000261743686 279003144 /nfs/dbraw/zinc/00/31/44/279003144.db2.gz MVLDCBSHAYLNMD-PWSUYJOCSA-N 1 2 290.342 2.045 10 0 CEAELO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H](C)C2)c(C)n1C ZINC000134343428 280018654 /nfs/dbraw/zinc/01/86/54/280018654.db2.gz IJCCOMCHXNOPJW-NSHDSACASA-N 1 2 266.410 2.262 10 0 CEAELO Cc1cc(C(=O)C[N@H+]2CCS[C@@H](C)C2)c(C)n1C ZINC000134343428 280018657 /nfs/dbraw/zinc/01/86/57/280018657.db2.gz IJCCOMCHXNOPJW-NSHDSACASA-N 1 2 266.410 2.262 10 0 CEAELO C[C@H]1NC(=O)CC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000334274390 280040745 /nfs/dbraw/zinc/04/07/45/280040745.db2.gz BJHNXXVWRUHKGB-APPZFPTMSA-N 1 2 273.258 2.179 10 0 CEAELO Cc1nc(N2CCC[C@@H](n3cncn3)C2)c2c([nH+]1)CCCC2 ZINC000302063157 282010094 /nfs/dbraw/zinc/01/00/94/282010094.db2.gz UPZJPLBZNGWPDE-CYBMUJFWSA-N 1 2 298.394 2.097 10 0 CEAELO C[C@H](CNC(=O)C[C@@H]1CCCCC1(C)C)[NH+]1CCOCC1 ZINC000156979982 289205827 /nfs/dbraw/zinc/20/58/27/289205827.db2.gz HTUBTNKWOUXGMK-CABCVRRESA-N 1 2 296.455 2.430 10 0 CEAELO Cc1nnc([C@H]2C[N@H+](Cc3cc(F)ccc3C)CCO2)[nH]1 ZINC000180238320 293125515 /nfs/dbraw/zinc/12/55/15/293125515.db2.gz FBFVNHPFKPEYOJ-CQSZACIVSA-N 1 2 290.342 2.134 10 0 CEAELO Cc1nnc([C@H]2C[N@@H+](Cc3cc(F)ccc3C)CCO2)[nH]1 ZINC000180238320 293125520 /nfs/dbraw/zinc/12/55/20/293125520.db2.gz FBFVNHPFKPEYOJ-CQSZACIVSA-N 1 2 290.342 2.134 10 0 CEAELO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248612923 298643050 /nfs/dbraw/zinc/64/30/50/298643050.db2.gz WPMSYXBHOLPPDT-KFWWJZLASA-N 1 2 296.455 2.286 10 0 CEAELO C[C@H]1COC[C@H](C)[NH+]1Cc1cccc2c1OCCO2 ZINC000077367790 300363211 /nfs/dbraw/zinc/36/32/11/300363211.db2.gz FQGDAOPNSVSINI-RYUDHWBXSA-N 1 2 263.337 2.067 10 0 CEAELO CC(C)C[C@H](C[NH+](C)C)Nc1ccc([NH3+])c(C(=O)[O-])c1 ZINC000049561991 519344156 /nfs/dbraw/zinc/34/41/56/519344156.db2.gz OYMSMMKLQGOQCI-GFCCVEGCSA-N 1 2 279.384 2.355 10 0 CEAELO CC[NH2+][C@@H](COc1c(C)cc(C)cc1C)C(=O)OC ZINC000045465499 520100571 /nfs/dbraw/zinc/10/05/71/520100571.db2.gz HDNMJBMAHSHBCE-ZDUSSCGKSA-N 1 2 265.353 2.142 10 0 CEAELO CCCCOCCO[C@H](C)C[C@@](C)([NH2+]C)C(=O)OCC ZINC000068653035 520792513 /nfs/dbraw/zinc/79/25/13/520792513.db2.gz LSOOJJSDUKALKM-UKRRQHHQSA-N 1 2 289.416 2.140 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@@H](C)Sc1cc(C)nn1C)[NH2+]C ZINC000068640806 521149457 /nfs/dbraw/zinc/14/94/57/521149457.db2.gz CSJRNIISPSJILG-BXUZGUMPSA-N 1 2 299.440 2.140 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@H](C)Sc1cc(C)nn1C)[NH2+]C ZINC000068640810 521149708 /nfs/dbraw/zinc/14/97/08/521149708.db2.gz CSJRNIISPSJILG-SMDDNHRTSA-N 1 2 299.440 2.140 10 0 CEAELO COC(=O)c1ccc(F)c(NCc2c[nH+]c(C)[nH]2)c1 ZINC000054821772 522073921 /nfs/dbraw/zinc/07/39/21/522073921.db2.gz ZJMJPNFNKAEBRM-UHFFFAOYSA-N 1 2 263.272 2.256 10 0 CEAELO COC(=O)c1ccc(F)c(NCc2c[nH]c(C)[nH+]2)c1 ZINC000054821772 522073937 /nfs/dbraw/zinc/07/39/37/522073937.db2.gz ZJMJPNFNKAEBRM-UHFFFAOYSA-N 1 2 263.272 2.256 10 0 CEAELO COc1cccc2c1cc[nH+]c2N1C[C@H](C)C[C@@H](O)C1 ZINC000401503496 533904648 /nfs/dbraw/zinc/90/46/48/533904648.db2.gz QKBBXBYULBMVIX-VXGBXAGGSA-N 1 2 272.348 2.451 10 0 CEAELO C(C[C@H]1CCCCO1)c1nc([C@H]2CCCC[NH2+]2)no1 ZINC000069403374 518395643 /nfs/dbraw/zinc/39/56/43/518395643.db2.gz VKVDTTWTMSXUAB-VXGBXAGGSA-N 1 2 265.357 2.386 10 0 CEAELO CC(C)Cc1nc(C[N@H+](CCO)C2CCCCC2)no1 ZINC000050106481 519459000 /nfs/dbraw/zinc/45/90/00/519459000.db2.gz FMLZGAXAVIEIGW-UHFFFAOYSA-N 1 2 281.400 2.395 10 0 CEAELO CC(C)Cc1nc(C[N@@H+](CCO)C2CCCCC2)no1 ZINC000050106481 519459007 /nfs/dbraw/zinc/45/90/07/519459007.db2.gz FMLZGAXAVIEIGW-UHFFFAOYSA-N 1 2 281.400 2.395 10 0 CEAELO CC(=O)Nc1cccc(Nc2cc[nH+]c(C(N)=S)c2)c1 ZINC000061812336 519745196 /nfs/dbraw/zinc/74/51/96/519745196.db2.gz HDBWETBXJVYEBD-UHFFFAOYSA-N 1 2 286.360 2.418 10 0 CEAELO CC(C)c1[nH+]c(-c2ccc3c(c2)CCCN3C)c(N)n1N ZINC000052839892 519858247 /nfs/dbraw/zinc/85/82/47/519858247.db2.gz DXVJWTYCKHWYME-UHFFFAOYSA-N 1 2 285.395 2.352 10 0 CEAELO CCC[NH2+][C@H](Cn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062808048 520089044 /nfs/dbraw/zinc/08/90/44/520089044.db2.gz RWGYHVIDIZNWGN-GFCCVEGCSA-N 1 2 275.352 2.052 10 0 CEAELO CC[NH2+][C@@](C)(CCOc1cc(F)cc(F)c1)C(=O)OC ZINC000054934060 520135233 /nfs/dbraw/zinc/13/52/33/520135233.db2.gz ZATKKBIGOFZTJI-AWEZNQCLSA-N 1 2 287.306 2.275 10 0 CEAELO CC[NH2+][C@@](C[N@H+](C)[C@@H](C)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069140004 520149838 /nfs/dbraw/zinc/14/98/38/520149838.db2.gz IAJBYBMKDJMWOF-SWLSCSKDSA-N 1 2 270.417 2.196 10 0 CEAELO CC[NH2+][C@@](C[N@@H+](C)[C@@H](C)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069140004 520149844 /nfs/dbraw/zinc/14/98/44/520149844.db2.gz IAJBYBMKDJMWOF-SWLSCSKDSA-N 1 2 270.417 2.196 10 0 CEAELO CC[NH2+][C@@](CSc1ccccn1)(C(=O)OC)C1CC1 ZINC000069187185 520159268 /nfs/dbraw/zinc/15/92/68/520159268.db2.gz BUBUFLVSFBBHRJ-CQSZACIVSA-N 1 2 280.393 2.105 10 0 CEAELO CC[NH2+][C@H](CCSc1ccc(F)cc1)C(=O)OC ZINC000062598875 520195223 /nfs/dbraw/zinc/19/52/23/520195223.db2.gz PBRILYXOKBWRGZ-GFCCVEGCSA-N 1 2 271.357 2.459 10 0 CEAELO CC[NH2+][C@](C)(COc1ccc(CC)cc1)C(=O)OC ZINC000045513222 520233821 /nfs/dbraw/zinc/23/38/21/520233821.db2.gz JLPKUYVSTWHFHW-OAHLLOKOSA-N 1 2 265.353 2.169 10 0 CEAELO CC[NH2+][C@](CN(C)c1ccccc1C)(C(=O)OC)C1CC1 ZINC000069231329 520245424 /nfs/dbraw/zinc/24/54/24/520245424.db2.gz BPHODAJROHPJLM-KRWDZBQOSA-N 1 2 290.407 2.363 10 0 CEAELO CC1(C)CC[NH+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069232028 520380825 /nfs/dbraw/zinc/38/08/25/520380825.db2.gz XBBYNQRLSAOVHG-MRXNPFEDSA-N 1 2 280.412 2.094 10 0 CEAELO CCOC(=O)[C@@H](CCSc1ncc(C)cn1)[NH2+]C(C)C ZINC000062602403 521062725 /nfs/dbraw/zinc/06/27/25/521062725.db2.gz XGFXQVUZIMFUEW-GFCCVEGCSA-N 1 2 297.424 2.197 10 0 CEAELO CCOC(=O)[C@@H]([NH3+])COc1ccc2ccccc2c1 ZINC000045519462 521073630 /nfs/dbraw/zinc/07/36/30/521073630.db2.gz HEGOBUWSTQBYPU-AWEZNQCLSA-N 1 2 259.305 2.109 10 0 CEAELO CCOC(=O)[C@H](CCN1Cc2ccccc2C1)[NH2+]C(C)C ZINC000062531217 521245734 /nfs/dbraw/zinc/24/57/34/521245734.db2.gz PKZLEZGNCJXZCK-INIZCTEOSA-N 1 2 290.407 2.322 10 0 CEAELO CC[NH+]1CCC([N@H+](C)Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000062754739 521563753 /nfs/dbraw/zinc/56/37/53/521563753.db2.gz IWGJCJOLDAUZAV-UHFFFAOYSA-N 1 2 294.370 2.440 10 0 CEAELO CC[NH+]1CCC([N@@H+](C)Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000062754739 521563759 /nfs/dbraw/zinc/56/37/59/521563759.db2.gz IWGJCJOLDAUZAV-UHFFFAOYSA-N 1 2 294.370 2.440 10 0 CEAELO CCc1[nH+]c(-c2ccc(F)c(Br)c2)c(N)n1N ZINC000052838731 522146795 /nfs/dbraw/zinc/14/67/95/522146795.db2.gz HZJBFRRGFJWPNQ-UHFFFAOYSA-N 1 2 299.147 2.310 10 0 CEAELO C[NH2+][C@@H](CCS[C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000062603686 522350933 /nfs/dbraw/zinc/35/09/33/522350933.db2.gz YXJXBGNGAMBYFR-UTUOFQBUSA-N 1 2 259.415 2.449 10 0 CEAELO C[NH2+][C@@H](CCS[C@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000062603678 522351486 /nfs/dbraw/zinc/35/14/86/522351486.db2.gz YXJXBGNGAMBYFR-WOPDTQHZSA-N 1 2 259.415 2.449 10 0 CEAELO C[NH2+][C@@](CN(C)c1cc(C)cc(C)c1)(C(=O)OC)C1CC1 ZINC000069231263 522422284 /nfs/dbraw/zinc/42/22/84/522422284.db2.gz JLLVZKMNHIUFAE-QGZVFWFLSA-N 1 2 290.407 2.281 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)n1c(C)[nH+]c2ccccc21)C(=O)[O-] ZINC000068648800 522423551 /nfs/dbraw/zinc/42/35/51/522423551.db2.gz JJECPUYLQQIPIY-BONVTDFDSA-N 1 2 275.352 2.359 10 0 CEAELO C[NH2+][C@@](COc1c(C)cccc1C)(C(=O)OC)C1CC1 ZINC000069196952 522428659 /nfs/dbraw/zinc/42/86/59/522428659.db2.gz GWVWMSXPNSGTEW-MRXNPFEDSA-N 1 2 277.364 2.223 10 0 CEAELO C[NH2+][C@H](CCO[C@H]1CCCc2ccccc21)C(=O)OC ZINC000062544520 522460849 /nfs/dbraw/zinc/46/08/49/522460849.db2.gz AQYWFQGZORDMMJ-CABCVRRESA-N 1 2 277.364 2.232 10 0 CEAELO CCc1[nH+]c2ccccc2n1[C@@H](C)C[C@](C)([NH3+])C(=O)[O-] ZINC000068650223 522504891 /nfs/dbraw/zinc/50/48/91/522504891.db2.gz GPFXYOMXENAZNQ-BONVTDFDSA-N 1 2 275.352 2.352 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)OCCOc1ccccc1)C(=O)OC ZINC000068653747 522520432 /nfs/dbraw/zinc/52/04/32/522520432.db2.gz WFPWFOVHLAPNEW-CZUORRHYSA-N 1 2 295.379 2.012 10 0 CEAELO CC[C@H]1CCCN1c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061538283 523114444 /nfs/dbraw/zinc/11/44/44/523114444.db2.gz GCTNXRQLWLNWEH-VIFPVBQESA-N 1 2 278.747 2.090 10 0 CEAELO CCn1cc(C[N@@H+]2CCN[C@](C)(c3ccccc3)C2)cn1 ZINC000068693784 523375500 /nfs/dbraw/zinc/37/55/00/523375500.db2.gz IMGQRHAYSWRJQQ-KRWDZBQOSA-N 1 2 284.407 2.224 10 0 CEAELO CCn1cc(C[N@H+]2CCN[C@](C)(c3ccccc3)C2)cn1 ZINC000068693784 523375505 /nfs/dbraw/zinc/37/55/05/523375505.db2.gz IMGQRHAYSWRJQQ-KRWDZBQOSA-N 1 2 284.407 2.224 10 0 CEAELO COc1ccc(/C=C/C(=O)Nc2ccc(N)[nH+]c2)cc1 ZINC000061680422 523396231 /nfs/dbraw/zinc/39/62/31/523396231.db2.gz UIWBSCLCVQPVDV-RUDMXATFSA-N 1 2 269.304 2.324 10 0 CEAELO CCn1cc[nH+]c1CN1C(=O)C(=O)c2c1cccc2Cl ZINC000054743676 523526059 /nfs/dbraw/zinc/52/60/59/523526059.db2.gz OAUFZBWMOJLJKO-UHFFFAOYSA-N 1 2 289.722 2.286 10 0 CEAELO COC(=O)[C@@H]([NH2+]CC1CC1)c1ccc2ncccc2c1 ZINC000069503449 523628130 /nfs/dbraw/zinc/62/81/30/523628130.db2.gz XWCRZPOPEVRFPO-HNNXBMFYSA-N 1 2 270.332 2.449 10 0 CEAELO CN(c1[nH+]c(C(=O)[O-])cc2ccccc21)C1CC[NH2+]CC1 ZINC000048839939 523662006 /nfs/dbraw/zinc/66/20/06/523662006.db2.gz JGRSZHHIODYXND-UHFFFAOYSA-N 1 2 285.347 2.121 10 0 CEAELO COC(=O)[C@@](C)(C[C@@H](C)Sc1nccn1C)[NH2+]C(C)C ZINC000068632082 523814276 /nfs/dbraw/zinc/81/42/76/523814276.db2.gz VWAWKVAONWUFBY-BXUZGUMPSA-N 1 2 299.440 2.221 10 0 CEAELO COC(=O)[C@@](C)(C[C@H](C)Sc1cnn(C)c1)[NH2+]C(C)C ZINC000068639954 523816416 /nfs/dbraw/zinc/81/64/16/523816416.db2.gz SLMPRIXLTOOFOX-SMDDNHRTSA-N 1 2 299.440 2.221 10 0 CEAELO COC(=O)[C@H](CC(C)C)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601193 523892517 /nfs/dbraw/zinc/89/25/17/523892517.db2.gz JTCYXZFQRUSETO-SCRDCRAPSA-N 1 2 267.369 2.160 10 0 CEAELO COC(=O)[C@H](CC(C)C)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601193 523892522 /nfs/dbraw/zinc/89/25/22/523892522.db2.gz JTCYXZFQRUSETO-SCRDCRAPSA-N 1 2 267.369 2.160 10 0 CEAELO COC(=O)[C@H](CCO[C@@H](C)CC(C)C)[NH2+]C(C)C ZINC000062545062 523899504 /nfs/dbraw/zinc/89/95/04/523899504.db2.gz KBZUTWMELVWJJV-STQMWFEESA-N 1 2 259.390 2.367 10 0 CEAELO COC(=O)[C@](CN(C)c1ccccc1)([NH2+]C(C)C)C1CC1 ZINC000069094330 524004990 /nfs/dbraw/zinc/00/49/90/524004990.db2.gz SKXHGMRMUHMHRY-QGZVFWFLSA-N 1 2 290.407 2.443 10 0 CEAELO COC(=O)[C@](COC(C)(C)C)([NH2+]C(C)C)C1CC1 ZINC000069195687 524005129 /nfs/dbraw/zinc/00/51/29/524005129.db2.gz IKDOOFOFIHSUQZ-CQSZACIVSA-N 1 2 257.374 2.121 10 0 CEAELO C[C@@H]1CCCN(c2nc(Cl)nc(-n3cc[nH+]c3)n2)[C@@H]1C ZINC000061541981 524248964 /nfs/dbraw/zinc/24/89/64/524248964.db2.gz VPRLJXABKUSFNW-NXEZZACHSA-N 1 2 292.774 2.336 10 0 CEAELO Cc1cccc(Cn2c3ccc(N)cc3[nH+]c2[C@@H](C)O)n1 ZINC000053736606 524492227 /nfs/dbraw/zinc/49/22/27/524492227.db2.gz YBKPUSMRZQIPPG-LLVKDONJSA-N 1 2 282.347 2.424 10 0 CEAELO C[C@@H](Cc1ccco1)Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812893 524929862 /nfs/dbraw/zinc/92/98/62/524929862.db2.gz KLMUOVJHGWPNCB-VIFPVBQESA-N 1 2 261.350 2.352 10 0 CEAELO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)ccc1CO ZINC000050582502 525083420 /nfs/dbraw/zinc/08/34/20/525083420.db2.gz HFMGQXZOSCFATK-UHFFFAOYSA-N 1 2 283.375 2.209 10 0 CEAELO COc1ncnc(OC)c1C[NH2+]Cc1ccc(F)cc1F ZINC000051016764 525084157 /nfs/dbraw/zinc/08/41/57/525084157.db2.gz IQBANTYXUFRLDC-UHFFFAOYSA-N 1 2 295.289 2.062 10 0 CEAELO CSC[C@@H](C)Cn1c2ccc(N)cc2[nH+]c1CO ZINC000069444436 525625385 /nfs/dbraw/zinc/62/53/85/525625385.db2.gz AJKCUBFZTWBHEV-VIFPVBQESA-N 1 2 265.382 2.110 10 0 CEAELO COc1ccc2ccccc2c1-c1[nH+]cn(N)c1N ZINC000052838251 525647937 /nfs/dbraw/zinc/64/79/37/525647937.db2.gz CTOPFPBVKBRXKX-UHFFFAOYSA-N 1 2 254.293 2.008 10 0 CEAELO CSC[C@H](C)CNc1[nH+]cccc1C(N)=S ZINC000069015051 525684370 /nfs/dbraw/zinc/68/43/70/525684370.db2.gz MJBLCDBLRJPBFF-MRVPVSSYSA-N 1 2 255.412 2.127 10 0 CEAELO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](O)C3)no2)cc1 ZINC000054622393 525809571 /nfs/dbraw/zinc/80/95/71/525809571.db2.gz PPSLZSBRSYEKAH-CYBMUJFWSA-N 1 2 273.336 2.002 10 0 CEAELO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](O)C3)no2)cc1 ZINC000054622393 525809581 /nfs/dbraw/zinc/80/95/81/525809581.db2.gz PPSLZSBRSYEKAH-CYBMUJFWSA-N 1 2 273.336 2.002 10 0 CEAELO Cc1cnc(C[NH2+]CC(=O)Nc2ccccc2Cl)cn1 ZINC000061321291 526037564 /nfs/dbraw/zinc/03/75/64/526037564.db2.gz GBPIQDQWMLOYKO-UHFFFAOYSA-N 1 2 290.754 2.167 10 0 CEAELO Cc1nc(-c2ccccc2NCc2c[nH+]c(C)[nH]2)n[nH]1 ZINC000054821868 526478899 /nfs/dbraw/zinc/47/88/99/526478899.db2.gz XFVZNVICKKTVIC-UHFFFAOYSA-N 1 2 268.324 2.424 10 0 CEAELO Cc1nc(-c2ccccc2NCc2c[nH]c(C)[nH+]2)n[nH]1 ZINC000054821868 526478905 /nfs/dbraw/zinc/47/89/05/526478905.db2.gz XFVZNVICKKTVIC-UHFFFAOYSA-N 1 2 268.324 2.424 10 0 CEAELO c1cn(-c2cccc(NCc3cnccn3)c2)c[nH+]1 ZINC000054765889 526526536 /nfs/dbraw/zinc/52/65/36/526526536.db2.gz ZIHFKYNYXWTWQM-UHFFFAOYSA-N 1 2 251.293 2.274 10 0 CEAELO Cc1[nH]c(CNc2cc(S(C)(=O)=O)ccc2C)c[nH+]1 ZINC000054821780 526897011 /nfs/dbraw/zinc/89/70/11/526897011.db2.gz BFKPDWNWBBXLHG-UHFFFAOYSA-N 1 2 279.365 2.042 10 0 CEAELO Cc1[nH]cc(CNc2cc(S(C)(=O)=O)ccc2C)[nH+]1 ZINC000054821780 526897015 /nfs/dbraw/zinc/89/70/15/526897015.db2.gz BFKPDWNWBBXLHG-UHFFFAOYSA-N 1 2 279.365 2.042 10 0 CEAELO O=C1COc2cc(NCc3c[nH+]c[nH]3)c(Cl)cc2N1 ZINC000054764499 527013725 /nfs/dbraw/zinc/01/37/25/527013725.db2.gz WZKYBFWFWUVGJS-UHFFFAOYSA-N 1 2 278.699 2.006 10 0 CEAELO O=C1COc2cc(NCc3c[nH]c[nH+]3)c(Cl)cc2N1 ZINC000054764499 527013731 /nfs/dbraw/zinc/01/37/31/527013731.db2.gz WZKYBFWFWUVGJS-UHFFFAOYSA-N 1 2 278.699 2.006 10 0 CEAELO NC(=S)c1cc(Nc2ccc3c(c2)OCCO3)cc[nH+]1 ZINC000061812307 527116017 /nfs/dbraw/zinc/11/60/17/527116017.db2.gz QLEDPLTWKQIMGH-UHFFFAOYSA-N 1 2 287.344 2.231 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000054795354 527214462 /nfs/dbraw/zinc/21/44/62/527214462.db2.gz MVUNORCOKBLTFO-UHFFFAOYSA-N 1 2 269.308 2.426 10 0 CEAELO [NH3+][C@@H](c1occc1Br)c1ccccn1 ZINC000068982237 527340724 /nfs/dbraw/zinc/34/07/24/527340724.db2.gz CRTCHBUYZFZAJM-SECBINFHSA-N 1 2 253.099 2.485 10 0 CEAELO [NH3+][C@H](c1nnc(C2CCOCC2)o1)c1ccccc1 ZINC000061673855 527392175 /nfs/dbraw/zinc/39/21/75/527392175.db2.gz YVDVQFZBVCABEJ-LBPRGKRZSA-N 1 2 259.309 2.012 10 0 CEAELO Nc1c(-c2ccc(OC(F)F)cc2)[nH+]c(C2CC2)n1N ZINC000052839083 527423249 /nfs/dbraw/zinc/42/32/49/527423249.db2.gz KRVOVNUOJNELTQ-UHFFFAOYSA-N 1 2 280.278 2.325 10 0 CEAELO Nc1ccc2c(c1)[nH+]cn2-c1ccc2c(c1)OCCO2 ZINC000052842884 527509940 /nfs/dbraw/zinc/50/99/40/527509940.db2.gz SGHOPIWYZJAIEY-UHFFFAOYSA-N 1 2 267.288 2.379 10 0 CEAELO CCOC(CN1CCCc2cc([NH3+])ccc21)OCC ZINC000084828305 535736844 /nfs/dbraw/zinc/73/68/44/535736844.db2.gz LZHIMXUDGIOFQT-UHFFFAOYSA-N 1 2 264.369 2.421 10 0 CEAELO CCn1cnnc1[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC000328656402 538851497 /nfs/dbraw/zinc/85/14/97/538851497.db2.gz ZHRXZKQBHIARKC-FSNWXROXSA-N 1 2 298.390 2.385 10 0 CEAELO CCn1cnnc1[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC000328656402 538851502 /nfs/dbraw/zinc/85/15/02/538851502.db2.gz ZHRXZKQBHIARKC-FSNWXROXSA-N 1 2 298.390 2.385 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000189312711 628309878 /nfs/dbraw/zinc/30/98/78/628309878.db2.gz OMFNAKVYYBYMBM-ZDUSSCGKSA-N 1 2 279.359 2.101 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000189312711 628309882 /nfs/dbraw/zinc/30/98/82/628309882.db2.gz OMFNAKVYYBYMBM-ZDUSSCGKSA-N 1 2 279.359 2.101 10 0 CEAELO CCOC[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000190763725 628341801 /nfs/dbraw/zinc/34/18/01/628341801.db2.gz MYLBZSAOZGRWQD-LBPRGKRZSA-N 1 2 274.320 2.454 10 0 CEAELO Cn1cc([C@@H]2CCC[N@@H+]2Cn2cc[nH]c2=S)cn1 ZINC000173340145 639851456 /nfs/dbraw/zinc/85/14/56/639851456.db2.gz PXOPHZASUUXTOT-NSHDSACASA-N 1 2 263.370 2.074 10 0 CEAELO Cn1cc([C@@H]2CCC[N@H+]2Cn2cc[nH]c2=S)cn1 ZINC000173340145 639851461 /nfs/dbraw/zinc/85/14/61/639851461.db2.gz PXOPHZASUUXTOT-NSHDSACASA-N 1 2 263.370 2.074 10 0 CEAELO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCOC1 ZINC000181182423 641519606 /nfs/dbraw/zinc/51/96/06/641519606.db2.gz KIPVRHJGFOJTBZ-GXTWGEPZSA-N 1 2 286.331 2.454 10 0 CEAELO CCCCSCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181643557 641581215 /nfs/dbraw/zinc/58/12/15/641581215.db2.gz CYPRVBYJTFHLEA-CYBMUJFWSA-N 1 2 289.441 2.174 10 0 CEAELO COC(=O)[C@](C)(c1cccc(Br)c1)[NH+](C)C ZINC000095532554 185004423 /nfs/dbraw/zinc/00/44/23/185004423.db2.gz HRYVTFFZDTVTPV-LBPRGKRZSA-N 1 2 286.169 2.399 10 0 CEAELO Cc1ccc([C@@H]2CCCC[N@@H+]2CCS(C)(=O)=O)o1 ZINC000124660901 187147873 /nfs/dbraw/zinc/14/78/73/187147873.db2.gz KRJGXKCYRBCUPM-LBPRGKRZSA-N 1 2 271.382 2.160 10 0 CEAELO Cc1ccc([C@@H]2CCCC[N@H+]2CCS(C)(=O)=O)o1 ZINC000124660901 187147874 /nfs/dbraw/zinc/14/78/74/187147874.db2.gz KRJGXKCYRBCUPM-LBPRGKRZSA-N 1 2 271.382 2.160 10 0 CEAELO Cc1ccc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)o1 ZINC000121555006 365584052 /nfs/dbraw/zinc/58/40/52/365584052.db2.gz BJAQDCWLKWQVOO-UHFFFAOYSA-N 1 2 288.395 2.029 10 0 CEAELO Cc1ccc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)o1 ZINC000121555006 365584054 /nfs/dbraw/zinc/58/40/54/365584054.db2.gz BJAQDCWLKWQVOO-UHFFFAOYSA-N 1 2 288.395 2.029 10 0 CEAELO CCn1cc[nH+]c1C[S@@](=O)Cc1ccccc1F ZINC000083045957 178335572 /nfs/dbraw/zinc/33/55/72/178335572.db2.gz MUQQEVJLKKZAJF-GOSISDBHSA-N 1 2 266.341 2.491 10 0 CEAELO Nc1cn(Cc2ccc(I)cc2)c[nH+]1 ZINC000725247567 539192287 /nfs/dbraw/zinc/19/22/87/539192287.db2.gz QOUKPOGMWJBNDO-UHFFFAOYSA-N 1 2 299.115 2.118 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)c1ccccc1OC ZINC000177293547 529582308 /nfs/dbraw/zinc/58/23/08/529582308.db2.gz IZOQMLLIRNCZTB-SFHVURJKSA-N 1 2 264.350 2.219 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(C)CC1)C2 ZINC000220575027 539258148 /nfs/dbraw/zinc/25/81/48/539258148.db2.gz FJRONDXLLVJEQQ-GFCCVEGCSA-N 1 2 261.369 2.082 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(C)CC1)CC2 ZINC000220575027 539258150 /nfs/dbraw/zinc/25/81/50/539258150.db2.gz FJRONDXLLVJEQQ-GFCCVEGCSA-N 1 2 261.369 2.082 10 0 CEAELO Cc1nc([C@@H]([NH3+])c2cc(Br)cs2)no1 ZINC000041678504 362046495 /nfs/dbraw/zinc/04/64/95/362046495.db2.gz OQILHQCKIJSJHT-ZETCQYMHSA-N 1 2 274.143 2.250 10 0 CEAELO CC[C@H](O)CN1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000123502102 529700928 /nfs/dbraw/zinc/70/09/28/529700928.db2.gz IADOAEVXLOCOCO-HNNXBMFYSA-N 1 2 288.391 2.321 10 0 CEAELO C[N@@H+]1CCN2c3ncc(O)cc3Cc3ccccc3[C@H]2C1 ZINC000021981258 343378827 /nfs/dbraw/zinc/37/88/27/343378827.db2.gz DAWYIZBOUQIVNX-MRXNPFEDSA-N 1 2 281.359 2.185 10 0 world CEAELO C[N@H+]1CCN2c3ncc(O)cc3Cc3ccccc3[C@H]2C1 ZINC000021981258 343378831 /nfs/dbraw/zinc/37/88/31/343378831.db2.gz DAWYIZBOUQIVNX-MRXNPFEDSA-N 1 2 281.359 2.185 10 0 world CEAELO COC(=O)[C@@H](C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083493561 178517920 /nfs/dbraw/zinc/51/79/20/178517920.db2.gz ZXCLAZFZJJVKPM-MRVPVSSYSA-N 1 2 266.728 2.472 10 0 CEAELO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(O)cc(F)cc2F)C1 ZINC000246339726 539319036 /nfs/dbraw/zinc/31/90/36/539319036.db2.gz GVMXIXNWQJNMFV-BXKDBHETSA-N 1 2 298.333 2.129 10 0 CEAELO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(O)cc(F)cc2F)C1 ZINC000246339726 539319038 /nfs/dbraw/zinc/31/90/38/539319038.db2.gz GVMXIXNWQJNMFV-BXKDBHETSA-N 1 2 298.333 2.129 10 0 CEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000048061083 362242839 /nfs/dbraw/zinc/24/28/39/362242839.db2.gz ONTNKNCDZSIWMV-GFCCVEGCSA-N 1 2 295.452 2.493 10 0 CEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000048061083 362242846 /nfs/dbraw/zinc/24/28/46/362242846.db2.gz ONTNKNCDZSIWMV-GFCCVEGCSA-N 1 2 295.452 2.493 10 0 CEAELO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1N ZINC000047913011 362231399 /nfs/dbraw/zinc/23/13/99/362231399.db2.gz XZFFRKOBBOFNAQ-UHFFFAOYSA-N 1 2 260.293 2.392 10 0 CEAELO CCC[C@H]([NH2+][C@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000154856884 344436291 /nfs/dbraw/zinc/43/62/91/344436291.db2.gz RDXIGPCETUBVRV-RYUDHWBXSA-N 1 2 257.374 2.265 10 0 CEAELO O=C1CCCC[C@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000050132443 362405294 /nfs/dbraw/zinc/40/52/94/362405294.db2.gz GYJOCBMXGGXNSW-MRXNPFEDSA-N 1 2 272.392 2.316 10 0 CEAELO O=C1CCCC[C@H]1[NH+]1CCN(Cc2ccccc2)CC1 ZINC000050132443 362405301 /nfs/dbraw/zinc/40/53/01/362405301.db2.gz GYJOCBMXGGXNSW-MRXNPFEDSA-N 1 2 272.392 2.316 10 0 CEAELO CCN(C(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCCCC1 ZINC000052856589 362475564 /nfs/dbraw/zinc/47/55/64/362475564.db2.gz XYOVGOUCVNZTLP-ZIAGYGMSSA-N 1 2 282.428 2.277 10 0 CEAELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1ccc(Cl)o1 ZINC000328626380 344756153 /nfs/dbraw/zinc/75/61/53/344756153.db2.gz LQRDMNBRVGZZBD-JTQLQIEISA-N 1 2 293.754 2.464 10 0 CEAELO CCNc1c(N)c[nH+]c2c(OC)cc(OC)c(Cl)c12 ZINC000584882351 344996490 /nfs/dbraw/zinc/99/64/90/344996490.db2.gz DMGVKJKVAFWURM-UHFFFAOYSA-N 1 2 281.743 2.341 10 0 CEAELO C[C@@H]1C[S@@](=O)C[C@H](c2ccccc2Br)[NH2+]1 ZINC000085311766 179013813 /nfs/dbraw/zinc/01/38/13/179013813.db2.gz SHPCWNLSNLXEJM-UQHVFFSPSA-N 1 2 288.210 2.231 10 0 CEAELO C[C@@H]1C[S@@](=O)C[C@H](c2ccc(Br)s2)[NH2+]1 ZINC000085312036 179014101 /nfs/dbraw/zinc/01/41/01/179014101.db2.gz CGALFJFKLMDEFR-KBEMCWPLSA-N 1 2 294.239 2.292 10 0 CEAELO CC[NH2+][C@](C)(COc1cc(C)ccc1F)C(=O)OCC ZINC000085560295 179093824 /nfs/dbraw/zinc/09/38/24/179093824.db2.gz KZYGUJBGEHBUOH-OAHLLOKOSA-N 1 2 283.343 2.444 10 0 CEAELO CCOC(=O)[C@@](C)(CCOc1cc(C)ccc1F)[NH2+]C ZINC000085560635 179094340 /nfs/dbraw/zinc/09/43/40/179094340.db2.gz YZBLGRDIAISKGG-OAHLLOKOSA-N 1 2 283.343 2.444 10 0 CEAELO C[N@@H+]1CCN(c2nc3c(s2)CCCC3=O)CC1(C)C ZINC000086441840 179293980 /nfs/dbraw/zinc/29/39/80/179293980.db2.gz WLVDVLLCIPZZLY-UHFFFAOYSA-N 1 2 279.409 2.193 10 0 CEAELO C[N@H+]1CCN(c2nc3c(s2)CCCC3=O)CC1(C)C ZINC000086441840 179293981 /nfs/dbraw/zinc/29/39/81/179293981.db2.gz WLVDVLLCIPZZLY-UHFFFAOYSA-N 1 2 279.409 2.193 10 0 CEAELO Cn1cc[nH+]c1CC(=O)c1cncc(Br)c1 ZINC000086486021 179302050 /nfs/dbraw/zinc/30/20/50/179302050.db2.gz JXSWOKQNGQXGNS-UHFFFAOYSA-N 1 2 280.125 2.003 10 0 CEAELO COC[C@@H]([NH2+][C@H](c1ccco1)c1nccn1C)C(C)C ZINC000086695035 179320492 /nfs/dbraw/zinc/32/04/92/179320492.db2.gz WCBQRYTZUJPJLH-TZMCWYRMSA-N 1 2 277.368 2.363 10 0 CEAELO C[NH+](C)c1ccc(N[C@@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000086672295 179317976 /nfs/dbraw/zinc/31/79/76/179317976.db2.gz HZVXBWPZPWGALM-KGLIPLIRSA-N 1 2 282.409 2.130 10 0 CEAELO COCC[NH2+][C@@]1(C(=O)OC)CCCC(C)(C)CC1 ZINC000086916455 179367752 /nfs/dbraw/zinc/36/77/52/179367752.db2.gz DOAFQQSBMRVKBJ-AWEZNQCLSA-N 1 2 257.374 2.125 10 0 CEAELO COc1ccc(-c2[nH+]c(C(C)(C)C)n(N)c2N)cc1F ZINC000086993704 179376248 /nfs/dbraw/zinc/37/62/48/179376248.db2.gz SUTWWSOXXDONCZ-UHFFFAOYSA-N 1 2 278.331 2.291 10 0 CEAELO CCOC(=O)[C@@H](CC)[NH2+]CC1(O)CCC(CC)CC1 ZINC000087066211 179390781 /nfs/dbraw/zinc/39/07/81/179390781.db2.gz GDLOCVNNQLZJPU-JVWICGRDSA-N 1 2 271.401 2.249 10 0 CEAELO Cc1cc(NN)[nH+]c(CO[C@@H]2CCC[C@H](C)C2)n1 ZINC000087735915 179479667 /nfs/dbraw/zinc/47/96/67/179479667.db2.gz LUYBRQGLHWTKTF-GXSJLCMTSA-N 1 2 250.346 2.166 10 0 CEAELO C[C@H]1[NH2+]Cc2ccccc2N(CCc2ccccn2)C1=O ZINC000087887306 179511330 /nfs/dbraw/zinc/51/13/30/179511330.db2.gz PPFZWGZKDGQUNH-CYBMUJFWSA-N 1 2 281.359 2.149 10 0 CEAELO COC(=O)[C@](CO[C@H](C)C(F)(F)F)([NH2+]C1CC1)C1CC1 ZINC000090674225 180021655 /nfs/dbraw/zinc/02/16/55/180021655.db2.gz YFVVJRZDWKTHDB-PRHODGIISA-N 1 2 295.301 2.028 10 0 CEAELO COC(=O)[C@@](C)(CCCO[C@H](C)C(F)(F)F)[NH2+]C1CC1 ZINC000090674399 180021914 /nfs/dbraw/zinc/02/19/14/180021914.db2.gz CGOJHKRJWXZRAH-BXKDBHETSA-N 1 2 297.317 2.418 10 0 CEAELO COC(=O)c1cc(NC[C@@H](C)CSC)cc[nH+]1 ZINC000090738259 180034395 /nfs/dbraw/zinc/03/43/95/180034395.db2.gz MQQIKJOVDQMQBU-SECBINFHSA-N 1 2 254.355 2.279 10 0 CEAELO COC(=O)C[N@H+](C[C@H]1Cc2cc(F)ccc2O1)C(C)C ZINC000090894722 180056044 /nfs/dbraw/zinc/05/60/44/180056044.db2.gz NCVXILTUHRYQAX-CYBMUJFWSA-N 1 2 281.327 2.013 10 0 CEAELO COC(=O)C[N@@H+](C[C@H]1Cc2cc(F)ccc2O1)C(C)C ZINC000090894722 180056045 /nfs/dbraw/zinc/05/60/45/180056045.db2.gz NCVXILTUHRYQAX-CYBMUJFWSA-N 1 2 281.327 2.013 10 0 CEAELO CC(C)n1cncc1[C@H]([NH3+])c1nc2c(s1)CCC2 ZINC000091273134 180118137 /nfs/dbraw/zinc/11/81/37/180118137.db2.gz MUMQTQUPBMNNLX-LBPRGKRZSA-N 1 2 262.382 2.457 10 0 CEAELO Cn1c[nH+]cc1COc1c(Br)cccc1CO ZINC000091278670 180120945 /nfs/dbraw/zinc/12/09/45/180120945.db2.gz TZAKCRIUJUFHOJ-UHFFFAOYSA-N 1 2 297.152 2.254 10 0 CEAELO Cc1nc(-c2ccccc2OC(F)F)[nH+]c(NN)c1F ZINC000091502104 180175481 /nfs/dbraw/zinc/17/54/81/180175481.db2.gz NXPAKHSHJYWWMV-UHFFFAOYSA-N 1 2 284.241 2.478 10 0 CEAELO CC[N@@H+]1CCO[C@@H](COc2cccc(Cl)c2C=O)C1 ZINC000092057014 180314010 /nfs/dbraw/zinc/31/40/10/180314010.db2.gz ZYDPKRBTGHEHQS-LLVKDONJSA-N 1 2 283.755 2.252 10 0 CEAELO CC[N@H+]1CCO[C@@H](COc2cccc(Cl)c2C=O)C1 ZINC000092057014 180314012 /nfs/dbraw/zinc/31/40/12/180314012.db2.gz ZYDPKRBTGHEHQS-LLVKDONJSA-N 1 2 283.755 2.252 10 0 CEAELO CS(=O)(=O)c1ccc(C[NH2+]C/C(Cl)=C/Cl)cc1 ZINC000092025834 180308842 /nfs/dbraw/zinc/30/88/42/180308842.db2.gz ZTWXWRUQSVEQMD-POHAHGRESA-N 1 2 294.203 2.499 10 0 CEAELO c1coc(-c2cc(C[N@@H+]3CCC[C@H](n4cncn4)C3)no2)c1 ZINC000105923212 186091166 /nfs/dbraw/zinc/09/11/66/186091166.db2.gz LXDVRGDCZKDUIR-ZDUSSCGKSA-N 1 2 299.334 2.363 10 0 CEAELO c1coc(-c2cc(C[N@H+]3CCC[C@H](n4cncn4)C3)no2)c1 ZINC000105923212 186091168 /nfs/dbraw/zinc/09/11/68/186091168.db2.gz LXDVRGDCZKDUIR-ZDUSSCGKSA-N 1 2 299.334 2.363 10 0 CEAELO Cc1cnn([C@H]2CCC[N@H+](CC(=O)OC(C)(C)C)C2)c1 ZINC000105923325 186091395 /nfs/dbraw/zinc/09/13/95/186091395.db2.gz VVDRCBMJBSNUDG-ZDUSSCGKSA-N 1 2 279.384 2.170 10 0 CEAELO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)OC(C)(C)C)C2)c1 ZINC000105923325 186091396 /nfs/dbraw/zinc/09/13/96/186091396.db2.gz VVDRCBMJBSNUDG-ZDUSSCGKSA-N 1 2 279.384 2.170 10 0 CEAELO COc1c(C[N@H+](C)Cc2ccoc2C)c(C)nn1C ZINC000092438690 180385374 /nfs/dbraw/zinc/38/53/74/180385374.db2.gz HTHPSZWIDAHBRL-UHFFFAOYSA-N 1 2 263.341 2.271 10 0 CEAELO COc1c(C[N@@H+](C)Cc2ccoc2C)c(C)nn1C ZINC000092438690 180385377 /nfs/dbraw/zinc/38/53/77/180385377.db2.gz HTHPSZWIDAHBRL-UHFFFAOYSA-N 1 2 263.341 2.271 10 0 CEAELO NC(=S)c1cc2c([nH+]c1N[C@H]1CCCOC1)CCCC2 ZINC000109549696 186261673 /nfs/dbraw/zinc/26/16/73/186261673.db2.gz RAZHHWILIUWJAL-NSHDSACASA-N 1 2 291.420 2.186 10 0 CEAELO CCOc1cc(N2CCn3cc[nH+]c3C2)c(N)cc1F ZINC000110634680 186307591 /nfs/dbraw/zinc/30/75/91/186307591.db2.gz PBDJUKCFWFGGMW-UHFFFAOYSA-N 1 2 276.315 2.023 10 0 CEAELO CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2O)CC[N@@H+]1C ZINC000110761716 186322886 /nfs/dbraw/zinc/32/28/86/186322886.db2.gz XPNOGPHABDHCKU-LLVKDONJSA-N 1 2 282.771 2.212 10 0 CEAELO CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2O)CC[N@H+]1C ZINC000110761716 186322887 /nfs/dbraw/zinc/32/28/87/186322887.db2.gz XPNOGPHABDHCKU-LLVKDONJSA-N 1 2 282.771 2.212 10 0 CEAELO Cc1nn(C)c(Cl)c1C[N@@H+]1CCS[C@@H](C)C1 ZINC000122541604 187037382 /nfs/dbraw/zinc/03/73/82/187037382.db2.gz JJIPHABCNMWJGY-QMMMGPOBSA-N 1 2 259.806 2.319 10 0 CEAELO Cc1nn(C)c(Cl)c1C[N@H+]1CCS[C@@H](C)C1 ZINC000122541604 187037383 /nfs/dbraw/zinc/03/73/83/187037383.db2.gz JJIPHABCNMWJGY-QMMMGPOBSA-N 1 2 259.806 2.319 10 0 CEAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(C)o3)CCO2)n1 ZINC000122555783 187037863 /nfs/dbraw/zinc/03/78/63/187037863.db2.gz MMPUDGAKKICGSU-INIZCTEOSA-N 1 2 289.379 2.302 10 0 CEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(C)o3)CCO2)n1 ZINC000122555783 187037864 /nfs/dbraw/zinc/03/78/64/187037864.db2.gz MMPUDGAKKICGSU-INIZCTEOSA-N 1 2 289.379 2.302 10 0 CEAELO CCOC(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134828883 366363977 /nfs/dbraw/zinc/36/39/77/366363977.db2.gz RLPLTGODXPZIDO-AWEZNQCLSA-N 1 2 293.338 2.426 10 0 CEAELO CCOC(=O)C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134828883 366363978 /nfs/dbraw/zinc/36/39/78/366363978.db2.gz RLPLTGODXPZIDO-AWEZNQCLSA-N 1 2 293.338 2.426 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1)C2 ZINC000220585256 540280587 /nfs/dbraw/zinc/28/05/87/540280587.db2.gz GEVAZEPBJNQBKN-ZDUSSCGKSA-N 1 2 269.348 2.139 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1)CC2 ZINC000220585256 540280591 /nfs/dbraw/zinc/28/05/91/540280591.db2.gz GEVAZEPBJNQBKN-ZDUSSCGKSA-N 1 2 269.348 2.139 10 0 CEAELO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1nnnn1C(C)C ZINC000140731203 366563787 /nfs/dbraw/zinc/56/37/87/366563787.db2.gz GASQJECZRYMNNS-CHWSQXEVSA-N 1 2 295.431 2.280 10 0 CEAELO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1nnnn1C(C)C ZINC000140731203 366563794 /nfs/dbraw/zinc/56/37/94/366563794.db2.gz GASQJECZRYMNNS-CHWSQXEVSA-N 1 2 295.431 2.280 10 0 CEAELO CCCC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176581225 189000409 /nfs/dbraw/zinc/00/04/09/189000409.db2.gz RUKMJBDUQKNMDZ-CHWSQXEVSA-N 1 2 296.436 2.426 10 0 CEAELO CCCC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176581225 189000410 /nfs/dbraw/zinc/00/04/10/189000410.db2.gz RUKMJBDUQKNMDZ-CHWSQXEVSA-N 1 2 296.436 2.426 10 0 CEAELO CC(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000176592072 189000878 /nfs/dbraw/zinc/00/08/78/189000878.db2.gz HJTADFOKNPOIHW-STQMWFEESA-N 1 2 296.436 2.282 10 0 CEAELO CC(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000176592072 189000879 /nfs/dbraw/zinc/00/08/79/189000879.db2.gz 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/nfs/dbraw/zinc/81/02/95/363810295.db2.gz PMOHMHCNQNOGIF-KRWDZBQOSA-N 1 2 252.314 2.350 10 0 CEAELO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1[nH+]cccc1O ZINC000095090861 364338085 /nfs/dbraw/zinc/33/80/85/364338085.db2.gz JHIMYPHUWALYQK-NSHDSACASA-N 1 2 293.367 2.233 10 0 CEAELO Ic1cc[nH+]c2c1CCCN2 ZINC000095774401 364392695 /nfs/dbraw/zinc/39/26/95/364392695.db2.gz JIWNEQCEIHUEIA-UHFFFAOYSA-N 1 2 260.078 2.044 10 0 CEAELO CC(C)CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112739062 364839471 /nfs/dbraw/zinc/83/94/71/364839471.db2.gz KGKWXJMTEIAQRW-UHFFFAOYSA-N 1 2 278.400 2.267 10 0 CEAELO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1cn2cccnc2n1 ZINC000114483859 364950041 /nfs/dbraw/zinc/95/00/41/364950041.db2.gz WZRMYFMUQQCHHC-AWEZNQCLSA-N 1 2 282.351 2.180 10 0 CEAELO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000114483859 364950044 /nfs/dbraw/zinc/95/00/44/364950044.db2.gz WZRMYFMUQQCHHC-AWEZNQCLSA-N 1 2 282.351 2.180 10 0 CEAELO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c(Cl)c1 ZINC000335585689 212298292 /nfs/dbraw/zinc/29/82/92/212298292.db2.gz DXZAJVBVSWJXFA-RYUDHWBXSA-N 1 2 296.798 2.290 10 0 CEAELO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H](O)C2)c(Cl)c1 ZINC000335585689 212298293 /nfs/dbraw/zinc/29/82/93/212298293.db2.gz DXZAJVBVSWJXFA-RYUDHWBXSA-N 1 2 296.798 2.290 10 0 CEAELO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]1c1ccco1 ZINC000116517950 365060719 /nfs/dbraw/zinc/06/07/19/365060719.db2.gz JJGRCKQNGKAYJX-GFCCVEGCSA-N 1 2 274.324 2.023 10 0 CEAELO CCSCCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000119137059 365222247 /nfs/dbraw/zinc/22/22/47/365222247.db2.gz CTHMIJYQPACAKJ-INIZCTEOSA-N 1 2 294.464 2.091 10 0 CEAELO CC1CCC(N(C)C(=O)C[NH+]2[C@H](C)COC[C@H]2C)CC1 ZINC000120845742 365484554 /nfs/dbraw/zinc/48/45/54/365484554.db2.gz HEHQEKIMGVRRAY-PIOWNMBXSA-N 1 2 282.428 2.133 10 0 CEAELO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1nnnn1C(C)C ZINC000120863670 365487166 /nfs/dbraw/zinc/48/71/66/365487166.db2.gz XQNRPPCFLNQQRP-JTQLQIEISA-N 1 2 293.346 2.253 10 0 CEAELO C[C@H]1CCCN(c2cc(N3CCC[C@@](C)(O)C3)nc[nH+]2)C1 ZINC000162808767 367192048 /nfs/dbraw/zinc/19/20/48/367192048.db2.gz RHRVKOZEDGJVNT-XJKSGUPXSA-N 1 2 290.411 2.064 10 0 CEAELO C[C@H]1CCCN(c2cc(N3CCC[C@@](C)(O)C3)[nH+]cn2)C1 ZINC000162808767 367192055 /nfs/dbraw/zinc/19/20/55/367192055.db2.gz RHRVKOZEDGJVNT-XJKSGUPXSA-N 1 2 290.411 2.064 10 0 CEAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cnn(CC)c1 ZINC000167825284 367343989 /nfs/dbraw/zinc/34/39/89/367343989.db2.gz UNQHOVGREALLEQ-DGCLKSJQSA-N 1 2 288.399 2.243 10 0 CEAELO CO[C@H](C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173913487 367958985 /nfs/dbraw/zinc/95/89/85/367958985.db2.gz QRBXXUFQIMFEDH-NWDGAFQWSA-N 1 2 273.336 2.084 10 0 CEAELO COCc1nc(C[NH2+][C@@H](C)c2ccccc2C)no1 ZINC000182787284 368590079 /nfs/dbraw/zinc/59/00/79/368590079.db2.gz NMDHQLLUNVOIDE-NSHDSACASA-N 1 2 261.325 2.375 10 0 CEAELO CC(C)[C@@H](C)CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000246207585 370927830 /nfs/dbraw/zinc/92/78/30/370927830.db2.gz ONDPHZLUQXHMMS-STQMWFEESA-N 1 2 278.400 2.142 10 0 CEAELO CC(C)[C@@H](C)CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000246207585 370927833 /nfs/dbraw/zinc/92/78/33/370927833.db2.gz ONDPHZLUQXHMMS-STQMWFEESA-N 1 2 278.400 2.142 10 0 CEAELO COCCN1CC[N@H+](Cc2cc(F)ccc2C)C[C@@H]1C ZINC000246054414 370903794 /nfs/dbraw/zinc/90/37/94/370903794.db2.gz YOJYEIQSQGXKEU-AWEZNQCLSA-N 1 2 280.387 2.287 10 0 CEAELO COCCN1CC[N@@H+](Cc2cc(F)ccc2C)C[C@@H]1C ZINC000246054414 370903799 /nfs/dbraw/zinc/90/37/99/370903799.db2.gz YOJYEIQSQGXKEU-AWEZNQCLSA-N 1 2 280.387 2.287 10 0 CEAELO COc1cccc2c(N3CCC[C@H]3CO)cc[nH+]c12 ZINC000193482705 369945717 /nfs/dbraw/zinc/94/57/17/369945717.db2.gz YUOONJQEJXBDCY-NSHDSACASA-N 1 2 258.321 2.205 10 0 CEAELO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(C)n2CC)C1(C)C ZINC000246972563 371039665 /nfs/dbraw/zinc/03/96/65/371039665.db2.gz LGPJCWQNIMSDFT-QWHCGFSZSA-N 1 2 280.416 2.242 10 0 CEAELO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(C)n2CC)C1(C)C ZINC000246972563 371039669 /nfs/dbraw/zinc/03/96/69/371039669.db2.gz LGPJCWQNIMSDFT-QWHCGFSZSA-N 1 2 280.416 2.242 10 0 CEAELO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(CC)n2C)C1(C)C ZINC000247065747 371058399 /nfs/dbraw/zinc/05/83/99/371058399.db2.gz RVMZUDJVJOLIMT-VXGBXAGGSA-N 1 2 280.416 2.013 10 0 CEAELO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(CC)n2C)C1(C)C ZINC000247065747 371058403 /nfs/dbraw/zinc/05/84/03/371058403.db2.gz RVMZUDJVJOLIMT-VXGBXAGGSA-N 1 2 280.416 2.013 10 0 CEAELO C[C@H]1C[NH+](CCOc2ccccc2F)C[C@H](C)O1 ZINC000253600920 371532237 /nfs/dbraw/zinc/53/22/37/371532237.db2.gz DARLTIGMWJHLEN-RYUDHWBXSA-N 1 2 253.317 2.314 10 0 CEAELO CCNC(=O)[C@H]1CCc2[nH+]cc(-c3ccsc3)n2C1 ZINC000257184919 371605017 /nfs/dbraw/zinc/60/50/17/371605017.db2.gz IZMIUEUOVJCRJE-JTQLQIEISA-N 1 2 275.377 2.310 10 0 CEAELO Cc1ccncc1C(=O)N1CCn2cc[nH+]c2[C@@H]1C(C)C ZINC000257191595 371608240 /nfs/dbraw/zinc/60/82/40/371608240.db2.gz QRVLBCMCFKGAGI-AWEZNQCLSA-N 1 2 284.363 2.440 10 0 CEAELO CCn1cc([C@@H](C)[NH2+][C@H](C)c2nnc(C)s2)cn1 ZINC000274163891 373830281 /nfs/dbraw/zinc/83/02/81/373830281.db2.gz GYHYCEDINJFDCK-RKDXNWHRSA-N 1 2 265.386 2.475 10 0 CEAELO Cc1cc(NCCOc2ccc3c(c2)CCC(=O)N3)nc[nH+]1 ZINC000301244892 379230934 /nfs/dbraw/zinc/23/09/34/379230934.db2.gz NPMPFORBNBWIHZ-UHFFFAOYSA-N 1 2 298.346 2.161 10 0 CEAELO CNC(=O)Cc1nc(C[NH2+][C@@H](C)c2ccc(C)o2)cs1 ZINC000182567270 542282734 /nfs/dbraw/zinc/28/27/34/542282734.db2.gz SWGJQAJWUVCEOU-JTQLQIEISA-N 1 2 293.392 2.184 10 0 CEAELO OCc1ccc(N2CCN(c3ccc(F)cc3)CC2)[nH+]c1 ZINC000040864343 134874364 /nfs/dbraw/zinc/87/43/64/134874364.db2.gz QHQSFMYCHUPPHD-UHFFFAOYSA-N 1 2 287.338 2.040 10 0 CEAELO Cc1nccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000082315963 135006158 /nfs/dbraw/zinc/00/61/58/135006158.db2.gz WINCMBRWKVKHRV-UHFFFAOYSA-N 1 2 296.374 2.056 10 0 CEAELO CCC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000085682125 135037638 /nfs/dbraw/zinc/03/76/38/135037638.db2.gz NUQMCVBHCOYMKS-LBPRGKRZSA-N 1 2 264.344 2.315 10 0 CEAELO C[C@@H]1CCCN(c2nc(N)[nH+]cc2Br)[C@@H]1C ZINC000087826478 135051572 /nfs/dbraw/zinc/05/15/72/135051572.db2.gz FRDFAXLSJFIUDP-HTQZYQBOSA-N 1 2 285.189 2.446 10 0 CEAELO OCc1ccc[nH+]c1N1CCC(C(F)(F)F)CC1 ZINC000088433122 135054656 /nfs/dbraw/zinc/05/46/56/135054656.db2.gz PCAXQCMGIJWYTQ-UHFFFAOYSA-N 1 2 260.259 2.353 10 0 CEAELO Cc1c(I)ccc2[nH+]ccn21 ZINC000238503511 394494334 /nfs/dbraw/zinc/49/43/34/394494334.db2.gz PJHLVOADGHQRGA-UHFFFAOYSA-N 1 2 258.062 2.247 10 0 CEAELO CCOC(=O)Cc1cnc(NCc2[nH+]ccn2CC)s1 ZINC000385306915 395198294 /nfs/dbraw/zinc/19/82/94/395198294.db2.gz KWXFKMHDUCFKOZ-UHFFFAOYSA-N 1 2 294.380 2.077 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000189087381 153082896 /nfs/dbraw/zinc/08/28/96/153082896.db2.gz IBUICHFAFPBYDM-SNVBAGLBSA-N 1 2 252.745 2.050 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000189087381 153082900 /nfs/dbraw/zinc/08/29/00/153082900.db2.gz IBUICHFAFPBYDM-SNVBAGLBSA-N 1 2 252.745 2.050 10 0 CEAELO CC(C)n1nnnc1C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190964016 153152418 /nfs/dbraw/zinc/15/24/18/153152418.db2.gz IFOUQLIVUAXJIS-UHFFFAOYSA-N 1 2 293.415 2.178 10 0 CEAELO CC(C)n1nnnc1C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190964016 153152421 /nfs/dbraw/zinc/15/24/21/153152421.db2.gz IFOUQLIVUAXJIS-UHFFFAOYSA-N 1 2 293.415 2.178 10 0 CEAELO COc1cccc(C[NH2+][C@@H]2CCCn3ncnc32)c1F ZINC000192693611 153215946 /nfs/dbraw/zinc/21/59/46/153215946.db2.gz SUHLYZOHULFPNA-LLVKDONJSA-N 1 2 276.315 2.051 10 0 CEAELO O=C(Cc1cn2ccccc2[nH+]1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000193588327 153235588 /nfs/dbraw/zinc/23/55/88/153235588.db2.gz CDSIAPDUNKPSMT-GJZGRUSLSA-N 1 2 299.374 2.047 10 0 CEAELO CCc1nnc(C[N@@H+]2CCCN(c3ccccc3)CC2)n1C ZINC000195097103 153277725 /nfs/dbraw/zinc/27/77/25/153277725.db2.gz STYQUZWQCJESNL-UHFFFAOYSA-N 1 2 299.422 2.090 10 0 CEAELO CCc1nnc(C[N@H+]2CCCN(c3ccccc3)CC2)n1C ZINC000195097103 153277727 /nfs/dbraw/zinc/27/77/27/153277727.db2.gz STYQUZWQCJESNL-UHFFFAOYSA-N 1 2 299.422 2.090 10 0 CEAELO CCOC(=O)C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195440648 153285795 /nfs/dbraw/zinc/28/57/95/153285795.db2.gz CBVOVJWLWQDUGM-NSHDSACASA-N 1 2 268.382 2.194 10 0 CEAELO CCOC(=O)C[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195440648 153285797 /nfs/dbraw/zinc/28/57/97/153285797.db2.gz CBVOVJWLWQDUGM-NSHDSACASA-N 1 2 268.382 2.194 10 0 CEAELO CC(C)c1noc(C[NH+]2CCC(c3cc[nH]n3)CC2)n1 ZINC000195507723 153290523 /nfs/dbraw/zinc/29/05/23/153290523.db2.gz FPERTXCDPVJAIM-UHFFFAOYSA-N 1 2 275.356 2.296 10 0 CEAELO CC(C)n1cc[nH+]c1Cn1nnc(-c2cccc(F)c2)n1 ZINC000195517108 153290958 /nfs/dbraw/zinc/29/09/58/153290958.db2.gz DRZQABHCUVDURO-UHFFFAOYSA-N 1 2 286.314 2.305 10 0 CEAELO CCCc1noc(C[NH+]2CCC(c3ccnn3C)CC2)n1 ZINC000195504622 153293191 /nfs/dbraw/zinc/29/31/91/153293191.db2.gz ZBZZZMDCHAYQEV-UHFFFAOYSA-N 1 2 289.383 2.135 10 0 CEAELO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507989 153294424 /nfs/dbraw/zinc/29/44/24/153294424.db2.gz NLBMWRGGVBEUIN-GFCCVEGCSA-N 1 2 292.427 2.282 10 0 CEAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCC2)o1 ZINC000230643392 153395830 /nfs/dbraw/zinc/39/58/30/153395830.db2.gz YCTIEBFSJDPNMG-QWRGUYRKSA-N 1 2 265.357 2.081 10 0 CEAELO C[C@@H]1CCC[C@@H](CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263300634 154051477 /nfs/dbraw/zinc/05/14/77/154051477.db2.gz WZAYJEYLBADZHP-WOPDTQHZSA-N 1 2 274.355 2.316 10 0 CEAELO Cc1ccc2[nH+]c(CN3[C@H](C)COC[C@H]3C)cn2c1 ZINC000084089625 292390694 /nfs/dbraw/zinc/39/06/94/292390694.db2.gz QINUQRVXXOFMTR-CHWSQXEVSA-N 1 2 259.353 2.252 10 0 CEAELO CCc1nnc(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)n1C ZINC000174478709 165106625 /nfs/dbraw/zinc/10/66/25/165106625.db2.gz QBDVXTGZMGPGCD-XHDPSFHLSA-N 1 2 280.416 2.013 10 0 CEAELO CCc1nnc(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)n1C ZINC000174478709 165106626 /nfs/dbraw/zinc/10/66/26/165106626.db2.gz QBDVXTGZMGPGCD-XHDPSFHLSA-N 1 2 280.416 2.013 10 0 CEAELO CCc1nnc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)[nH]1 ZINC000181693424 165352371 /nfs/dbraw/zinc/35/23/71/165352371.db2.gz BLNMMIRRKNLAQT-LBPRGKRZSA-N 1 2 288.399 2.055 10 0 CEAELO CCc1nnc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)[nH]1 ZINC000181693424 165352374 /nfs/dbraw/zinc/35/23/74/165352374.db2.gz BLNMMIRRKNLAQT-LBPRGKRZSA-N 1 2 288.399 2.055 10 0 CEAELO Cc1c(C[NH2+]Cc2ccn(C3CCCC3)n2)cnn1C ZINC000020349869 171155410 /nfs/dbraw/zinc/15/54/10/171155410.db2.gz BPQXZQMMXOLCSB-UHFFFAOYSA-N 1 2 273.384 2.330 10 0 CEAELO NC(=S)c1ccc[nH+]c1NCc1cccc(F)c1 ZINC000020473729 171217250 /nfs/dbraw/zinc/21/72/50/171217250.db2.gz ITHPGRWOVZFBKC-UHFFFAOYSA-N 1 2 261.325 2.467 10 0 CEAELO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)C)sc2C1 ZINC000020830177 171274940 /nfs/dbraw/zinc/27/49/40/171274940.db2.gz JVTYNGCYYNKQDW-UHFFFAOYSA-N 1 2 253.371 2.116 10 0 CEAELO C[N@H+]1CCc2nc(NC(=O)C(C)(C)C)sc2C1 ZINC000020830177 171274942 /nfs/dbraw/zinc/27/49/42/171274942.db2.gz JVTYNGCYYNKQDW-UHFFFAOYSA-N 1 2 253.371 2.116 10 0 CEAELO Nc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)c(Cl)c1 ZINC000021517976 171313956 /nfs/dbraw/zinc/31/39/56/171313956.db2.gz MXKIQWUSGWBWHG-UHFFFAOYSA-N 1 2 283.740 2.118 10 0 CEAELO Cc1ccc(N)cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022155002 171361965 /nfs/dbraw/zinc/36/19/65/171361965.db2.gz VKWJVOGOADJAKS-FRRDWIJNSA-N 1 2 291.395 2.013 10 0 CEAELO Cc1ccc(N)cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022155002 171361967 /nfs/dbraw/zinc/36/19/67/171361967.db2.gz VKWJVOGOADJAKS-FRRDWIJNSA-N 1 2 291.395 2.013 10 0 CEAELO C[NH2+][C@H](C)c1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000035632760 172315315 /nfs/dbraw/zinc/31/53/15/172315315.db2.gz SBFAFADAQLKSMM-SECBINFHSA-N 1 2 297.405 2.224 10 0 CEAELO O=Cc1c(Cl)cccc1OCCn1cc[nH+]c1 ZINC000037519344 173249595 /nfs/dbraw/zinc/24/95/95/173249595.db2.gz JENGVVVXKCUMOG-UHFFFAOYSA-N 1 2 250.685 2.428 10 0 CEAELO Cc1nccc(C[NH2+]Cc2ccc(Br)o2)n1 ZINC000038037297 174037352 /nfs/dbraw/zinc/03/73/52/174037352.db2.gz NTLWIHKFJAZYSB-UHFFFAOYSA-N 1 2 282.141 2.430 10 0 CEAELO Cc1cc(-n2cc(Br)c(N)n2)nc(C(C)C)[nH+]1 ZINC000040517056 174307422 /nfs/dbraw/zinc/30/74/22/174307422.db2.gz WUODLCNDRMVNIR-UHFFFAOYSA-N 1 2 296.172 2.439 10 0 CEAELO Cc1nc(C)c([C@H](C)[NH2+]Cc2nnc(C)n2C)s1 ZINC000040518623 174307884 /nfs/dbraw/zinc/30/78/84/174307884.db2.gz JBGSDBAPLKISSL-ZETCQYMHSA-N 1 2 265.386 2.048 10 0 CEAELO CCCS(=O)(=O)c1ccccc1N[C@@H]1CCC[N@H+](C)C1 ZINC000040673383 174371956 /nfs/dbraw/zinc/37/19/56/174371956.db2.gz FUNJRKVNKAXSGN-CYBMUJFWSA-N 1 2 296.436 2.376 10 0 CEAELO CCCS(=O)(=O)c1ccccc1N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673383 174371958 /nfs/dbraw/zinc/37/19/58/174371958.db2.gz FUNJRKVNKAXSGN-CYBMUJFWSA-N 1 2 296.436 2.376 10 0 CEAELO CCNc1[nH+]cnc(Nc2ccc(C(C)=O)cc2)c1N ZINC000040707391 174379547 /nfs/dbraw/zinc/37/95/47/174379547.db2.gz IXNMJCSZMHHBCP-UHFFFAOYSA-N 1 2 271.324 2.437 10 0 CEAELO CCNc1nc[nH+]c(Nc2ccc(C(C)=O)cc2)c1N ZINC000040707391 174379549 /nfs/dbraw/zinc/37/95/49/174379549.db2.gz IXNMJCSZMHHBCP-UHFFFAOYSA-N 1 2 271.324 2.437 10 0 CEAELO C[NH2+]Cc1ccccc1CNc1nc(C(C)C)ns1 ZINC000404507808 414785583 /nfs/dbraw/zinc/78/55/83/414785583.db2.gz BUJQQQBSCMKBRL-UHFFFAOYSA-N 1 2 276.409 2.415 10 0 CEAELO CCC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(C)c1 ZINC000041532275 174565948 /nfs/dbraw/zinc/56/59/48/174565948.db2.gz URMAUIJUCNFWED-CQSZACIVSA-N 1 2 257.337 2.344 10 0 CEAELO CCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1C ZINC000041532173 174566039 /nfs/dbraw/zinc/56/60/39/174566039.db2.gz IYRFVKDISGYZAN-CQSZACIVSA-N 1 2 257.337 2.344 10 0 CEAELO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@@H]1CC2CCC1CC2 ZINC000653276727 414972517 /nfs/dbraw/zinc/97/25/17/414972517.db2.gz OUDRBBWWHYFYTA-HQXFNHHZSA-N 1 2 286.366 2.315 10 0 CEAELO Cc1cc(C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(C)[nH]1 ZINC000043426507 175040656 /nfs/dbraw/zinc/04/06/56/175040656.db2.gz HTDPWQAEXALCRB-GOEBONIOSA-N 1 2 276.380 2.458 10 0 CEAELO Cc1cc(C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c(C)[nH]1 ZINC000043426507 175040658 /nfs/dbraw/zinc/04/06/58/175040658.db2.gz HTDPWQAEXALCRB-GOEBONIOSA-N 1 2 276.380 2.458 10 0 CEAELO O[C@H]1CCCc2cc(OCCn3cc[nH+]c3)ccc21 ZINC000044746467 175242756 /nfs/dbraw/zinc/24/27/56/175242756.db2.gz BZKNCNSAKQUHOG-HNNXBMFYSA-N 1 2 258.321 2.332 10 0 CEAELO NC(=S)c1cc2c([nH+]c1NC[C@H]1CCCOC1)CCC2 ZINC000044984265 175283956 /nfs/dbraw/zinc/28/39/56/175283956.db2.gz GFYQRUJBFYMXDD-SNVBAGLBSA-N 1 2 291.420 2.043 10 0 CEAELO COC(=O)c1ccccc1C[NH2+]Cc1cc(C)no1 ZINC000044986666 175284529 /nfs/dbraw/zinc/28/45/29/175284529.db2.gz JGUZFLCKMKAGPY-UHFFFAOYSA-N 1 2 260.293 2.059 10 0 CEAELO Nc1cc2ccccc2c(=O)n1CCCCn1cc[nH+]c1 ZINC000045109170 175309519 /nfs/dbraw/zinc/30/95/19/175309519.db2.gz PGCDNMLSCYDIMK-UHFFFAOYSA-N 1 2 282.347 2.261 10 0 CEAELO CC[NH2+][C@@](C)(CN(CC)c1ccccc1)C(=O)OCC ZINC000045232068 175335730 /nfs/dbraw/zinc/33/57/30/175335730.db2.gz NVRWLDKAPYNIAH-INIZCTEOSA-N 1 2 278.396 2.444 10 0 CEAELO CCN(CC[C@@](C)([NH2+]C)C(=O)OC)c1ccccc1 ZINC000045232143 175335930 /nfs/dbraw/zinc/33/59/30/175335930.db2.gz YCYWQCGTEVHHKW-OAHLLOKOSA-N 1 2 264.369 2.054 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271875 175342127 /nfs/dbraw/zinc/34/21/27/175342127.db2.gz HHEJBZBGQGWOEY-OAHLLOKOSA-N 1 2 270.417 2.482 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271875 175342128 /nfs/dbraw/zinc/34/21/28/175342128.db2.gz HHEJBZBGQGWOEY-OAHLLOKOSA-N 1 2 270.417 2.482 10 0 CEAELO CCCCC[N@H+](C[C@@](C)([NH2+]CC)C(=O)[O-])C(C)C ZINC000045278533 175348803 /nfs/dbraw/zinc/34/88/03/175348803.db2.gz YNCHUCQYLZHZCK-CQSZACIVSA-N 1 2 258.406 2.340 10 0 CEAELO CCCCC[N@@H+](C[C@@](C)([NH2+]CC)C(=O)[O-])C(C)C ZINC000045278533 175348805 /nfs/dbraw/zinc/34/88/05/175348805.db2.gz YNCHUCQYLZHZCK-CQSZACIVSA-N 1 2 258.406 2.340 10 0 CEAELO CC(C)[C@@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045863478 175384947 /nfs/dbraw/zinc/38/49/47/175384947.db2.gz WDKCIJBYJOXSJU-GFCCVEGCSA-N 1 2 274.368 2.221 10 0 CEAELO COC(=O)[C@@H](C)Oc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000045923901 175387095 /nfs/dbraw/zinc/38/70/95/175387095.db2.gz TWVAXLSODNXTAW-SNVBAGLBSA-N 1 2 275.304 2.492 10 0 CEAELO COc1cccc2c1cc[nH+]c2NC1CC(CO)C1 ZINC000664648186 415441400 /nfs/dbraw/zinc/44/14/00/415441400.db2.gz BIBJKGSHADGGOS-UHFFFAOYSA-N 1 2 258.321 2.426 10 0 CEAELO CCC[NH2+][C@H](COc1cc(F)ccc1F)C(=O)OCC ZINC000071168407 176049526 /nfs/dbraw/zinc/04/95/26/176049526.db2.gz DYWCZPSWLIBDEJ-GFCCVEGCSA-N 1 2 287.306 2.275 10 0 CEAELO CCCn1c(C[NH2+]Cc2nccn2C)nc2ccccc21 ZINC000071273423 176105149 /nfs/dbraw/zinc/10/51/49/176105149.db2.gz HOASEOSYVYITCQ-UHFFFAOYSA-N 1 2 283.379 2.470 10 0 CEAELO CCCn1c(CNCc2[nH+]ccn2C)nc2ccccc21 ZINC000071273423 176105150 /nfs/dbraw/zinc/10/51/50/176105150.db2.gz HOASEOSYVYITCQ-UHFFFAOYSA-N 1 2 283.379 2.470 10 0 CEAELO CCNc1cc(Cn2c(C)c(C)sc2=O)cc[nH+]1 ZINC000071351867 176134988 /nfs/dbraw/zinc/13/49/88/176134988.db2.gz YPTOAKVVVPINNY-UHFFFAOYSA-N 1 2 263.366 2.402 10 0 CEAELO Cc1cc[nH+]cc1NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071413910 176159284 /nfs/dbraw/zinc/15/92/84/176159284.db2.gz FURAYUZRJUJUMC-UHFFFAOYSA-N 1 2 263.341 2.421 10 0 CEAELO CCCCC(=O)NCCc1cn2ccc(C)cc2[nH+]1 ZINC000071490242 176190053 /nfs/dbraw/zinc/19/00/53/176190053.db2.gz HWKYPRBADOWOLH-UHFFFAOYSA-N 1 2 259.353 2.492 10 0 CEAELO CC(C)=CC(=O)NCCc1cn2cc(F)ccc2[nH+]1 ZINC000071490229 176190229 /nfs/dbraw/zinc/19/02/29/176190229.db2.gz KNROWJGJWZTEFX-UHFFFAOYSA-N 1 2 261.300 2.098 10 0 CEAELO O=C1COc2ccc(-c3cn4cc(F)ccc4[nH+]3)cc2N1 ZINC000071570961 176197598 /nfs/dbraw/zinc/19/75/98/176197598.db2.gz DSIVXJCKLQTWQT-UHFFFAOYSA-N 1 2 283.262 2.471 10 0 CEAELO COC(=O)c1cc(N[C@@H](C)CCSC)cc[nH+]1 ZINC000078293383 177330809 /nfs/dbraw/zinc/33/08/09/177330809.db2.gz GJFKSZBQRCCYJE-VIFPVBQESA-N 1 2 254.355 2.422 10 0 CEAELO Cn1c(Cl)c(Cl)cc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000078723676 177376008 /nfs/dbraw/zinc/37/60/08/177376008.db2.gz GNJGCOXIXPYQEG-UHFFFAOYSA-N 1 2 287.150 2.028 10 0 CEAELO Cn1c(Cl)c(Cl)cc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000078723676 177376009 /nfs/dbraw/zinc/37/60/09/177376009.db2.gz GNJGCOXIXPYQEG-UHFFFAOYSA-N 1 2 287.150 2.028 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cnc(Cl)c(Cl)c1 ZINC000078741028 177379769 /nfs/dbraw/zinc/37/97/69/177379769.db2.gz RALMQVYHGIXBOW-UHFFFAOYSA-N 1 2 285.134 2.084 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cnc(Cl)c(Cl)c1 ZINC000078741028 177379770 /nfs/dbraw/zinc/37/97/70/177379770.db2.gz RALMQVYHGIXBOW-UHFFFAOYSA-N 1 2 285.134 2.084 10 0 CEAELO Cn1c2ccccc2[nH+]c1N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398764516 270362962 /nfs/dbraw/zinc/36/29/62/270362962.db2.gz AANSYHDRJZRGQQ-YNEHKIRRSA-N 1 2 271.364 2.171 10 0 CEAELO CNc1nc(N2CCC[C@H]2C)[nH+]cc1Br ZINC000133037336 277046011 /nfs/dbraw/zinc/04/60/11/277046011.db2.gz FKCBZFDBCAUKCR-SSDOTTSWSA-N 1 2 271.162 2.270 10 0 CEAELO COC(=O)c1ccc(C[NH+]2[C@@H](C)COC[C@@H]2C)cc1F ZINC000089129572 277158653 /nfs/dbraw/zinc/15/86/53/277158653.db2.gz LHCBOZPICDHSAF-QWRGUYRKSA-N 1 2 281.327 2.222 10 0 CEAELO C[N@@H+]1Cc2cccc(NC(=O)c3ccccn3)c2C1 ZINC000169814891 277208864 /nfs/dbraw/zinc/20/88/64/277208864.db2.gz YKZNPSDDSNNAEZ-UHFFFAOYSA-N 1 2 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CC(C)CNC(=O)N1CC[N@H+](C)[C@H](c2ccccc2F)C1 ZINC000062511153 519736746 /nfs/dbraw/zinc/73/67/46/519736746.db2.gz WIEVETLIEZPYCQ-HNNXBMFYSA-N 1 2 293.386 2.480 10 0 CEAELO CC(C)CNC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2F)C1 ZINC000062511153 519736748 /nfs/dbraw/zinc/73/67/48/519736748.db2.gz WIEVETLIEZPYCQ-HNNXBMFYSA-N 1 2 293.386 2.480 10 0 CEAELO CC(C)c1csc(NC(=O)c2cccc(NN)[nH+]2)n1 ZINC000051114885 519856742 /nfs/dbraw/zinc/85/67/42/519856742.db2.gz OLLODBDBQNPSCZ-UHFFFAOYSA-N 1 2 277.353 2.199 10 0 CEAELO CCC[NH2+][C@](CN(C)c1ccccc1)(C(=O)OC)C1CC1 ZINC000069094195 520119638 /nfs/dbraw/zinc/11/96/38/520119638.db2.gz KIVHEAUJJWBRFR-KRWDZBQOSA-N 1 2 290.407 2.444 10 0 CEAELO CCCNc1cc(CN2C(=O)N[C@H](CCC)C2=O)cc[nH+]1 ZINC000052732740 520135186 /nfs/dbraw/zinc/13/51/86/520135186.db2.gz DGGRMRHUJFFAFN-GFCCVEGCSA-N 1 2 290.367 2.124 10 0 CEAELO CC[NH2+][C@H](CCO[C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000062543808 520191133 /nfs/dbraw/zinc/19/11/33/520191133.db2.gz YBGVSDRMMNPVHG-XQQFMLRXSA-N 1 2 257.374 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299.440 2.222 10 0 CEAELO CC[NH2+][C@](COC(C)(C)C)(C(=O)OCC)C1CC1 ZINC000069195690 520249376 /nfs/dbraw/zinc/24/93/76/520249376.db2.gz CSBTTWDMSLVWFI-AWEZNQCLSA-N 1 2 257.374 2.123 10 0 CEAELO CCCO[C@@H]1CCC[N@H+](Cc2nnsc2NCC)C1 ZINC000050817970 520273848 /nfs/dbraw/zinc/27/38/48/520273848.db2.gz DJVASODEBYQRTC-LLVKDONJSA-N 1 2 284.429 2.361 10 0 CEAELO CCCO[C@@H]1CCC[N@@H+](Cc2nnsc2NCC)C1 ZINC000050817970 520273853 /nfs/dbraw/zinc/27/38/53/520273853.db2.gz DJVASODEBYQRTC-LLVKDONJSA-N 1 2 284.429 2.361 10 0 CEAELO CCNc1snnc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000050791985 520387342 /nfs/dbraw/zinc/38/73/42/520387342.db2.gz WXIOPCPBXPHGAH-UWVGGRQHSA-N 1 2 254.403 2.448 10 0 CEAELO CCNc1nc(C[N@H+](C)CCO)nc2sc(C)c(C)c21 ZINC000050814498 520355791 /nfs/dbraw/zinc/35/57/91/520355791.db2.gz UJKMXXSQAPZYRN-UHFFFAOYSA-N 1 2 294.424 2.164 10 0 CEAELO CCNc1nc(C[N@@H+](C)CCO)nc2sc(C)c(C)c21 ZINC000050814498 520355797 /nfs/dbraw/zinc/35/57/97/520355797.db2.gz UJKMXXSQAPZYRN-UHFFFAOYSA-N 1 2 294.424 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1 2 277.364 2.232 10 0 CEAELO CCc1[nH+]c2ccccc2n1CC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000062807978 522500416 /nfs/dbraw/zinc/50/04/16/522500416.db2.gz YXSRNRDFHPKPQJ-OAHLLOKOSA-N 1 2 275.352 2.052 10 0 CEAELO C[NH2+][C@](C[N@H+](C)C1CCCCCC1)(C(=O)[O-])C1CC1 ZINC000069100554 522525258 /nfs/dbraw/zinc/52/52/58/522525258.db2.gz RAFPREVVIGAMLB-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CNc1ccc(COc2ccc(S(C)(=O)=O)cc2)c[nH+]1 ZINC000050833182 522612319 /nfs/dbraw/zinc/61/23/19/522612319.db2.gz CQHPBUDXWKPMHV-UHFFFAOYSA-N 1 2 292.360 2.106 10 0 CEAELO C[N@@H+](Cc1nc(N)ccc1Cl)C[C@H]1CCCCO1 ZINC000061631622 523557259 /nfs/dbraw/zinc/55/72/59/523557259.db2.gz YHKDKZYKKNACQY-SNVBAGLBSA-N 1 2 269.776 2.318 10 0 CEAELO C[N@H+](Cc1nc(N)ccc1Cl)C[C@H]1CCCCO1 ZINC000061631622 523557261 /nfs/dbraw/zinc/55/72/61/523557261.db2.gz YHKDKZYKKNACQY-SNVBAGLBSA-N 1 2 269.776 2.318 10 0 CEAELO COC(=O)[C@@](C)(CCO[C@H]1CCC[C@H](OC)C1)[NH2+]C1CC1 ZINC000069542183 523814665 /nfs/dbraw/zinc/81/46/65/523814665.db2.gz ZDZNZNVEINGYNA-OFQRWUPVSA-N 1 2 299.411 2.034 10 0 CEAELO COC(=O)[C@@](COc1cccc(F)c1)([NH2+]C1CC1)C1CC1 ZINC000069197720 523822523 /nfs/dbraw/zinc/82/25/23/523822523.db2.gz BCAHVEXWBCSLOL-INIZCTEOSA-N 1 2 293.338 2.278 10 0 CEAELO COC(=O)[C@@](Cn1nc(C)c(C)c1C)([NH2+]C(C)C)C1CC1 ZINC000069192784 523824983 /nfs/dbraw/zinc/82/49/83/523824983.db2.gz DZPGXEFBUQLRIQ-INIZCTEOSA-N 1 2 293.411 2.128 10 0 CEAELO COC(=O)[C@H](CCN(C)c1ccccc1)[NH2+]C(C)C ZINC000062440744 523897816 /nfs/dbraw/zinc/89/78/16/523897816.db2.gz YULWMUMWDJIHSY-AWEZNQCLSA-N 1 2 264.369 2.053 10 0 CEAELO CCc1ccc(C(=O)[C@H](C)[N@H+](CC(N)=O)C(C)C)cc1 ZINC000049138154 523899097 /nfs/dbraw/zinc/89/90/97/523899097.db2.gz PEGPERVNBMIFES-LBPRGKRZSA-N 1 2 276.380 2.016 10 0 CEAELO CCc1ccc(C(=O)[C@H](C)[N@@H+](CC(N)=O)C(C)C)cc1 ZINC000049138154 523899100 /nfs/dbraw/zinc/89/91/00/523899100.db2.gz PEGPERVNBMIFES-LBPRGKRZSA-N 1 2 276.380 2.016 10 0 CEAELO CC[C@H](C)N(CC)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061537145 523935329 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/nfs/dbraw/zinc/52/70/02/527527002.db2.gz VINUULXVHRBDRY-UHFFFAOYSA-N 1 2 254.337 2.223 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)c1cccc2cccnc21 ZINC000062725819 527537327 /nfs/dbraw/zinc/53/73/27/527537327.db2.gz MHNFEGWPGLXUGE-UHFFFAOYSA-N 1 2 264.288 2.464 10 0 CEAELO O=C([O-])[C@@H](CCn1cc[nH+]c1-c1ccccc1)[NH2+]C1CC1 ZINC000062536468 527645258 /nfs/dbraw/zinc/64/52/58/527645258.db2.gz RIQAWNHKKMZHGO-CQSZACIVSA-N 1 2 285.347 2.145 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000176892209 528608302 /nfs/dbraw/zinc/60/83/02/528608302.db2.gz WGYOWBDQGSFIGH-PRWKNARSSA-N 1 2 299.440 2.016 10 0 CEAELO COC[C@@H]([NH3+])c1nc(C(C2CCC2)C2CCC2)no1 ZINC000311570531 627679785 /nfs/dbraw/zinc/67/97/85/627679785.db2.gz FQIRIBOIWSYTME-LLVKDONJSA-N 1 2 265.357 2.400 10 0 CEAELO Cc1[nH]c(CNC(=O)[C@H]2CCCO[C@H]2C(C)C)[nH+]c1C ZINC000896906856 630787345 /nfs/dbraw/zinc/78/73/45/630787345.db2.gz FRZQDZHUMJPJAC-JSGCOSHPSA-N 1 2 279.384 2.094 10 0 CEAELO CNc1cc(OC2CC2)c(I)c[nH+]1 ZINC000095729744 185022557 /nfs/dbraw/zinc/02/25/57/185022557.db2.gz FTXSXEJWLQVUEO-UHFFFAOYSA-N 1 2 290.104 2.269 10 0 CEAELO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000036959852 361875046 /nfs/dbraw/zinc/87/50/46/361875046.db2.gz JBTPHXOAQXHFPL-BDAKNGLRSA-N 1 2 255.387 2.017 10 0 CEAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccnc1 ZINC000126036938 187212216 /nfs/dbraw/zinc/21/22/16/187212216.db2.gz VVMRJPXKEKJHHP-AAEUAGOBSA-N 1 2 271.368 2.421 10 0 CEAELO COc1ccc(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)cc1 ZINC000220585717 539258711 /nfs/dbraw/zinc/25/87/11/539258711.db2.gz UCYSHAIWUCZHJD-ZDUSSCGKSA-N 1 2 299.374 2.148 10 0 CEAELO COc1ccc(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)cc1 ZINC000220585717 539258712 /nfs/dbraw/zinc/25/87/12/539258712.db2.gz UCYSHAIWUCZHJD-ZDUSSCGKSA-N 1 2 299.374 2.148 10 0 CEAELO CC(C)(C)c1nccc(SCC[NH+]2CCOCC2)n1 ZINC000090069709 344135839 /nfs/dbraw/zinc/13/58/39/344135839.db2.gz XDVTYRSTRBJENZ-UHFFFAOYSA-N 1 2 281.425 2.198 10 0 CEAELO COC(=O)c1ccc(C[NH+]2[C@H](C)COC[C@H]2C)c(F)c1 ZINC000135593956 344382572 /nfs/dbraw/zinc/38/25/72/344382572.db2.gz RGQJMWQEAUCEJE-GHMZBOCLSA-N 1 2 281.327 2.222 10 0 CEAELO Cc1[nH+]cn(-c2cc(Br)nc(C)n2)c1C ZINC000160867900 344461626 /nfs/dbraw/zinc/46/16/26/344461626.db2.gz XYRFAVHPQWZNQT-UHFFFAOYSA-N 1 2 267.130 2.350 10 0 CEAELO CCOC(=O)[C@H](C)Oc1ccc(Cn2cc[nH+]c2)cc1 ZINC000196528204 344524475 /nfs/dbraw/zinc/52/44/75/344524475.db2.gz FNJNFWNOMQXXDS-LBPRGKRZSA-N 1 2 274.320 2.262 10 0 CEAELO CCn1cc[nH+]c1CNc1cc(C(=O)OC)ccc1F ZINC000051921902 362449371 /nfs/dbraw/zinc/44/93/71/362449371.db2.gz HFSZZSVJXBJJHN-UHFFFAOYSA-N 1 2 277.299 2.441 10 0 CEAELO c1coc(CNc2cc(N[C@@H]3CCCOC3)[nH+]cn2)c1 ZINC000328655800 344757912 /nfs/dbraw/zinc/75/79/12/344757912.db2.gz YSCJVYVWAKXHIC-LLVKDONJSA-N 1 2 274.324 2.273 10 0 CEAELO c1coc(CNc2cc(N[C@@H]3CCCOC3)nc[nH+]2)c1 ZINC000328655800 344757913 /nfs/dbraw/zinc/75/79/13/344757913.db2.gz YSCJVYVWAKXHIC-LLVKDONJSA-N 1 2 274.324 2.273 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)OCC(F)(F)F)C(=O)OCC ZINC000084391091 178878760 /nfs/dbraw/zinc/87/87/60/178878760.db2.gz WIWHLUYRGOHVEG-KOLCDFICSA-N 1 2 285.306 2.275 10 0 CEAELO Cc1[nH+]cn(-c2ncncc2Br)c1C ZINC000085468265 179073663 /nfs/dbraw/zinc/07/36/63/179073663.db2.gz HPKZCKGVRXVYBH-UHFFFAOYSA-N 1 2 253.103 2.042 10 0 CEAELO CC[C@](C)(C(=O)Cc1ccccc1)[NH+]1CCOCC1 ZINC000085749799 179142189 /nfs/dbraw/zinc/14/21/89/179142189.db2.gz ASJRRHIJQXDBIO-MRXNPFEDSA-N 1 2 261.365 2.299 10 0 CEAELO COc1cc([NH2+]C[C@H]2CCCC[C@@H]2O)ccc1N ZINC000085966563 179206130 /nfs/dbraw/zinc/20/61/30/179206130.db2.gz OQTKQFWDBVKRME-MFKMUULPSA-N 1 2 250.342 2.240 10 0 CEAELO CC(C)(C)OC(=O)N1CCCO[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616651608 348548630 /nfs/dbraw/zinc/54/86/30/348548630.db2.gz COOITSLRRKQULH-LBPRGKRZSA-N 1 2 293.367 2.193 10 0 CEAELO Nc1nc(NCCc2ccsc2)c(Cl)c[nH+]1 ZINC000087823024 179494192 /nfs/dbraw/zinc/49/41/92/179494192.db2.gz MSDFVTNSUSTEME-UHFFFAOYSA-N 1 2 254.746 2.428 10 0 CEAELO CC(C)(C)OC(=O)NCCN1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000616614709 348534833 /nfs/dbraw/zinc/53/48/33/348534833.db2.gz KNVNCTHHYHEWGM-GFCCVEGCSA-N 1 2 294.399 2.461 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000616614709 348534835 /nfs/dbraw/zinc/53/48/35/348534835.db2.gz KNVNCTHHYHEWGM-GFCCVEGCSA-N 1 2 294.399 2.461 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000616614709 348534838 /nfs/dbraw/zinc/53/48/38/348534838.db2.gz KNVNCTHHYHEWGM-GFCCVEGCSA-N 1 2 294.399 2.461 10 0 CEAELO CCOc1cc(N(C)C[C@H]2CCCO2)ccc1[NH3+] ZINC000104249234 185943460 /nfs/dbraw/zinc/94/34/60/185943460.db2.gz UGJORDCVGWGWFZ-GFCCVEGCSA-N 1 2 250.342 2.283 10 0 CEAELO COC(=O)[C@](C)(CCCO[C@@H](C)C(F)(F)F)[NH2+]C1CC1 ZINC000090674396 180021692 /nfs/dbraw/zinc/02/16/92/180021692.db2.gz CGOJHKRJWXZRAH-CABZTGNLSA-N 1 2 297.317 2.418 10 0 CEAELO CCC[NH2+][C@](C)(CO[C@@H](C)C(F)(F)F)C(=O)OCC ZINC000090674153 180021933 /nfs/dbraw/zinc/02/19/33/180021933.db2.gz GZCXHPXIXKAFFO-GXSJLCMTSA-N 1 2 285.306 2.275 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090904096 180060187 /nfs/dbraw/zinc/06/01/87/180060187.db2.gz ATBPFFPOLMBVOP-CABZTGNLSA-N 1 2 283.755 2.185 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1NCc1ccccc1N ZINC000090961533 180076254 /nfs/dbraw/zinc/07/62/54/180076254.db2.gz UBRUNWWKBKDRRN-UHFFFAOYSA-N 1 2 272.352 2.351 10 0 CEAELO NC(=S)c1ccc[nH+]c1NC[C@H]1Cc2ccccc21 ZINC000090993533 180082373 /nfs/dbraw/zinc/08/23/73/180082373.db2.gz DKVGDIZHDBRBNH-LLVKDONJSA-N 1 2 269.373 2.468 10 0 CEAELO CC[C@H](C)[C@@H]([NH2+]Cc1ccn(CC)c1)C(=O)OC ZINC000091011637 180086064 /nfs/dbraw/zinc/08/60/64/180086064.db2.gz LUXFOEOEFWBUER-WCQYABFASA-N 1 2 252.358 2.185 10 0 CEAELO CC(C)n1ccc(C[C@@H](O)c2c[nH+]cn2C2CC2)n1 ZINC000091277379 180119847 /nfs/dbraw/zinc/11/98/47/180119847.db2.gz QMSQGNSKGVRCNJ-CQSZACIVSA-N 1 2 260.341 2.272 10 0 CEAELO COc1cc(C=O)cc(Cl)c1OCc1c[nH+]cn1C ZINC000091278542 180121035 /nfs/dbraw/zinc/12/10/35/180121035.db2.gz HJLFKGQPNKPWQC-UHFFFAOYSA-N 1 2 280.711 2.474 10 0 CEAELO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000091502619 180175359 /nfs/dbraw/zinc/17/53/59/180175359.db2.gz DHRIGBZDUKDUFM-RYUDHWBXSA-N 1 2 275.396 2.278 10 0 CEAELO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc2ccc(N)cc2C1 ZINC000091502619 180175361 /nfs/dbraw/zinc/17/53/61/180175361.db2.gz DHRIGBZDUKDUFM-RYUDHWBXSA-N 1 2 275.396 2.278 10 0 CEAELO CCCCCNC(=O)[C@H](C)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000091500495 180174479 /nfs/dbraw/zinc/17/44/79/180174479.db2.gz ZWWKIIMGBCJMPT-LBPRGKRZSA-N 1 2 275.396 2.279 10 0 CEAELO CCCCCNC(=O)[C@H](C)[N@H+]1Cc2ccc(N)cc2C1 ZINC000091500495 180174483 /nfs/dbraw/zinc/17/44/83/180174483.db2.gz ZWWKIIMGBCJMPT-LBPRGKRZSA-N 1 2 275.396 2.279 10 0 CEAELO C[C@H]1CCC[C@@H](C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000091565487 180193495 /nfs/dbraw/zinc/19/34/95/180193495.db2.gz RTDPTXJDTUIFED-QWHCGFSZSA-N 1 2 253.386 2.493 10 0 CEAELO C[N@@H+]1CCO[C@H](c2nc(-c3ccc(N)cc3)cs2)C1 ZINC000091722356 180240491 /nfs/dbraw/zinc/24/04/91/180240491.db2.gz YHIMMHBCXZSIPT-ZDUSSCGKSA-N 1 2 275.377 2.395 10 0 CEAELO C[N@H+]1CCO[C@H](c2nc(-c3ccc(N)cc3)cs2)C1 ZINC000091722356 180240494 /nfs/dbraw/zinc/24/04/94/180240494.db2.gz YHIMMHBCXZSIPT-ZDUSSCGKSA-N 1 2 275.377 2.395 10 0 CEAELO Cc1ccc(O)c(CNc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000091993971 180301311 /nfs/dbraw/zinc/30/13/11/180301311.db2.gz WIEYBINOEKPKDA-UHFFFAOYSA-N 1 2 281.319 2.288 10 0 CEAELO CCC1=NN(c2cc(F)c(F)c(F)c2)C(=O)[C@@H]1CC[NH3+] ZINC000092150483 180334194 /nfs/dbraw/zinc/33/41/94/180334194.db2.gz LGBKJBJPKXZLRH-MRVPVSSYSA-N 1 2 285.269 2.182 10 0 CEAELO O=C(CCCO)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000092151735 180334650 /nfs/dbraw/zinc/33/46/50/180334650.db2.gz GJDQNNYKUAYWPZ-UHFFFAOYSA-N 1 2 279.727 2.237 10 0 CEAELO O=S1(=O)C=C[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000105955351 186095186 /nfs/dbraw/zinc/09/51/86/186095186.db2.gz LIQXBZCLGCIKEN-QMMMGPOBSA-N 1 2 292.187 2.394 10 0 CEAELO Cc1nn(C)c2c1[nH+]c(N)n2CC(C1CC1)C1CC1 ZINC000092540837 180403226 /nfs/dbraw/zinc/40/32/26/180403226.db2.gz IYCYXEBXXUEREE-UHFFFAOYSA-N 1 2 259.357 2.097 10 0 CEAELO CCCNC(=O)CC[NH2+]c1ccc(N)c(OCCC)c1 ZINC000111054625 186349094 /nfs/dbraw/zinc/34/90/94/186349094.db2.gz YOMRDXPGUMOKDL-UHFFFAOYSA-N 1 2 279.384 2.386 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)c1n[nH]c(C(C)C)c1N ZINC000111042923 186347742 /nfs/dbraw/zinc/34/77/42/186347742.db2.gz IQACOIFKJBPCKU-UHFFFAOYSA-N 1 2 259.313 2.071 10 0 CEAELO CC(C)c1nnc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)n1C ZINC000118411671 186773240 /nfs/dbraw/zinc/77/32/40/186773240.db2.gz UBBXWAXFQXBOJW-MNOVXSKESA-N 1 2 268.430 2.264 10 0 CEAELO CC(C)c1nnc(C[N@H+]2CCS[C@@H](C)[C@H]2C)n1C ZINC000118411671 186773241 /nfs/dbraw/zinc/77/32/41/186773241.db2.gz UBBXWAXFQXBOJW-MNOVXSKESA-N 1 2 268.430 2.264 10 0 CEAELO O=C(C[N@H+]1CCC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000070459810 363087122 /nfs/dbraw/zinc/08/71/22/363087122.db2.gz IOISKGKVKCIOIA-LBPRGKRZSA-N 1 2 287.281 2.345 10 0 CEAELO O=C(C[N@@H+]1CCC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000070459810 363087128 /nfs/dbraw/zinc/08/71/28/363087128.db2.gz IOISKGKVKCIOIA-LBPRGKRZSA-N 1 2 287.281 2.345 10 0 CEAELO Cc1cnn([C@H]2CCC[N@H+](Cc3cn[nH]c3C)C2)c1 ZINC000123106146 187071349 /nfs/dbraw/zinc/07/13/49/187071349.db2.gz QOBSDRGVELYJGK-AWEZNQCLSA-N 1 2 259.357 2.060 10 0 CEAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3cn[nH]c3C)C2)c1 ZINC000123106146 187071350 /nfs/dbraw/zinc/07/13/50/187071350.db2.gz QOBSDRGVELYJGK-AWEZNQCLSA-N 1 2 259.357 2.060 10 0 CEAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cn[nH]c1C ZINC000122821487 187053745 /nfs/dbraw/zinc/05/37/45/187053745.db2.gz YYCLIGRIXLLFST-CQSZACIVSA-N 1 2 273.384 2.406 10 0 CEAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cn[nH]c1C ZINC000122821487 187053746 /nfs/dbraw/zinc/05/37/46/187053746.db2.gz YYCLIGRIXLLFST-CQSZACIVSA-N 1 2 273.384 2.406 10 0 CEAELO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000156565444 188269188 /nfs/dbraw/zinc/26/91/88/188269188.db2.gz GPOJAYDYTRLVPG-AWEZNQCLSA-N 1 2 288.399 2.067 10 0 CEAELO CCCn1c(C)nnc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000156565444 188269189 /nfs/dbraw/zinc/26/91/89/188269189.db2.gz GPOJAYDYTRLVPG-AWEZNQCLSA-N 1 2 288.399 2.067 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccn1C ZINC000156970738 188291183 /nfs/dbraw/zinc/29/11/83/188291183.db2.gz XYKCXPFMCJPNAI-LLVKDONJSA-N 1 2 252.358 2.187 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccn1C ZINC000156970738 188291185 /nfs/dbraw/zinc/29/11/85/188291185.db2.gz XYKCXPFMCJPNAI-LLVKDONJSA-N 1 2 252.358 2.187 10 0 CEAELO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)c1 ZINC000164624805 188625346 /nfs/dbraw/zinc/62/53/46/188625346.db2.gz KZQLOGKVMUXVHY-IAQYHMDHSA-N 1 2 299.378 2.422 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ncccc1C)C2 ZINC000220603692 538815331 /nfs/dbraw/zinc/81/53/31/538815331.db2.gz PDUVNQIJCLWNPK-NSHDSACASA-N 1 2 270.336 2.165 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ncccc1C)CC2 ZINC000220603692 538815337 /nfs/dbraw/zinc/81/53/37/538815337.db2.gz PDUVNQIJCLWNPK-NSHDSACASA-N 1 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KSVKAHQJDZDMFS-NXEZZACHSA-N 1 2 287.310 2.193 10 0 CEAELO CC(F)(F)Cc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329579396 202394693 /nfs/dbraw/zinc/39/46/93/202394693.db2.gz KSVKAHQJDZDMFS-NXEZZACHSA-N 1 2 287.310 2.193 10 0 CEAELO CCn1cc[nH+]c1C[S@@](=O)c1ccc(NC(C)=O)cc1 ZINC000081525996 363726882 /nfs/dbraw/zinc/72/68/82/363726882.db2.gz XJWNZYMYCNYMCW-FQEVSTJZSA-N 1 2 291.376 2.169 10 0 CEAELO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000177922390 189079396 /nfs/dbraw/zinc/07/93/96/189079396.db2.gz IHTYTCMFSPHGPP-RHSMWYFYSA-N 1 2 299.374 2.102 10 0 CEAELO COC(=O)[C@@H](C)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180665157 189268636 /nfs/dbraw/zinc/26/86/36/189268636.db2.gz XRQIBCWBMLIYHZ-VXGBXAGGSA-N 1 2 273.336 2.084 10 0 CEAELO CC(C)C(=O)N[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000301871652 201240973 /nfs/dbraw/zinc/24/09/73/201240973.db2.gz IXERKJXNESLGEP-GFCCVEGCSA-N 1 2 286.379 2.304 10 0 CEAELO CNc1nc(N(C)C2CCC2)[nH+]cc1Br ZINC000302124676 201352378 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Cc1ccc([C@H]2COCC[N@H+]2C[C@H](O)COC(C)(C)C)o1 ZINC000116995505 365086528 /nfs/dbraw/zinc/08/65/28/365086528.db2.gz UWVRBWYWGXORAL-UONOGXRCSA-N 1 2 297.395 2.137 10 0 CEAELO CCCC[C@H](CC)CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000117236814 365097351 /nfs/dbraw/zinc/09/73/51/365097351.db2.gz GPKQFBBPTUCVEX-GJZGRUSLSA-N 1 2 284.444 2.430 10 0 CEAELO COCC[N@@H+]1CCN(C(=O)c2cc(C)c(C)s2)C[C@H]1C ZINC000117286094 365100649 /nfs/dbraw/zinc/10/06/49/365100649.db2.gz BROSHXMERFAASA-GFCCVEGCSA-N 1 2 296.436 2.158 10 0 CEAELO COCC[N@H+]1CCN(C(=O)c2cc(C)c(C)s2)C[C@H]1C ZINC000117286094 365100656 /nfs/dbraw/zinc/10/06/56/365100656.db2.gz BROSHXMERFAASA-GFCCVEGCSA-N 1 2 296.436 2.158 10 0 CEAELO C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CCS1 ZINC000171424758 367539111 /nfs/dbraw/zinc/53/91/11/367539111.db2.gz VRCKQDULTKPGOH-LBPRGKRZSA-N 1 2 294.424 2.031 10 0 CEAELO CC(C)(C)CCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172768654 367815938 /nfs/dbraw/zinc/81/59/38/367815938.db2.gz NENSFGRBKORBJP-CQSZACIVSA-N 1 2 282.428 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CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[C@@H]1C ZINC000190568081 369635581 /nfs/dbraw/zinc/63/55/81/369635581.db2.gz NTTKIFGYXDOVNF-QWHCGFSZSA-N 1 2 278.400 2.276 10 0 CEAELO CCC1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC000192575946 369828770 /nfs/dbraw/zinc/82/87/70/369828770.db2.gz LRNCMJUPDJCWGC-UHFFFAOYSA-N 1 2 263.385 2.438 10 0 CEAELO O=C1C[N@H+](Cc2ccc3ccccc3n2)[C@@H]2CCCC[C@@H]2N1 ZINC000246728118 371001595 /nfs/dbraw/zinc/00/15/95/371001595.db2.gz UFXNAVQJWGNFQD-DLBZAZTESA-N 1 2 295.386 2.478 10 0 CEAELO O=C1C[N@@H+](Cc2ccc3ccccc3n2)[C@@H]2CCCC[C@@H]2N1 ZINC000246728118 371001599 /nfs/dbraw/zinc/00/15/99/371001599.db2.gz UFXNAVQJWGNFQD-DLBZAZTESA-N 1 2 295.386 2.478 10 0 CEAELO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2[C@H](C)COC[C@@H]2C)[C@H]1C ZINC000246968197 371039822 /nfs/dbraw/zinc/03/98/22/371039822.db2.gz KYAXSTWYCIRHDN-MRLBHPIUSA-N 1 2 282.428 2.037 10 0 CEAELO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2[C@H](C)COC[C@@H]2C)[C@H]1C ZINC000246968197 371039824 /nfs/dbraw/zinc/03/98/24/371039824.db2.gz KYAXSTWYCIRHDN-MRLBHPIUSA-N 1 2 282.428 2.037 10 0 CEAELO CC(C)CN(C(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000249740171 371358511 /nfs/dbraw/zinc/35/85/11/371358511.db2.gz HXEANGXWBYIKDW-HZPDHXFCSA-N 1 2 294.439 2.277 10 0 CEAELO CC(C)CN(C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000249740171 371358517 /nfs/dbraw/zinc/35/85/17/371358517.db2.gz HXEANGXWBYIKDW-HZPDHXFCSA-N 1 2 294.439 2.277 10 0 CEAELO Nc1cccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000261702783 371707490 /nfs/dbraw/zinc/70/74/90/371707490.db2.gz OKCHFBNFQZQMJB-CYBMUJFWSA-N 1 2 275.377 2.299 10 0 CEAELO Nc1cccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000261702783 371707498 /nfs/dbraw/zinc/70/74/98/371707498.db2.gz OKCHFBNFQZQMJB-CYBMUJFWSA-N 1 2 275.377 2.299 10 0 CEAELO CCCOc1cc(C[N@@H+]2C[C@H](F)C[C@@H]2CO)ccc1OC ZINC000344877530 217342010 /nfs/dbraw/zinc/34/20/10/217342010.db2.gz QFXZFUNISRSBME-ZIAGYGMSSA-N 1 2 297.370 2.389 10 0 CEAELO CCCOc1cc(C[N@H+]2C[C@H](F)C[C@@H]2CO)ccc1OC ZINC000344877530 217342012 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ZINC000302837260 379463076 /nfs/dbraw/zinc/46/30/76/379463076.db2.gz XIOQLISJWFBSFT-HNNXBMFYSA-N 1 2 289.383 2.149 10 0 CEAELO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc(C)c1F ZINC000335241810 208010030 /nfs/dbraw/zinc/01/00/30/208010030.db2.gz RIAATFBYEAMTLM-WCQYABFASA-N 1 2 264.344 2.300 10 0 CEAELO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cnccn1 ZINC000187117727 533149498 /nfs/dbraw/zinc/14/94/98/533149498.db2.gz BOOLTKCCJRIIDL-QWRGUYRKSA-N 1 2 258.325 2.292 10 0 CEAELO CC1(C)CCN(c2nc(N)[nH+]cc2Br)CC1 ZINC000087828783 135051420 /nfs/dbraw/zinc/05/14/20/135051420.db2.gz REZASYCWLZKTJG-UHFFFAOYSA-N 1 2 285.189 2.448 10 0 CEAELO C[C@@H]1CCCN(c2nc(N)[nH+]cc2Br)C1 ZINC000087805991 135051535 /nfs/dbraw/zinc/05/15/35/135051535.db2.gz GZHKAKZSYIPJIV-SSDOTTSWSA-N 1 2 271.162 2.058 10 0 CEAELO C[C@@H](CCC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000131810420 394919408 /nfs/dbraw/zinc/91/94/08/394919408.db2.gz WDVWWSZBYYBRMU-GOEBONIOSA-N 1 2 290.407 2.017 10 0 CEAELO C[C@@H](CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000131810420 394919411 /nfs/dbraw/zinc/91/94/11/394919411.db2.gz WDVWWSZBYYBRMU-GOEBONIOSA-N 1 2 290.407 2.017 10 0 CEAELO CC(=O)N[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000132980042 394942169 /nfs/dbraw/zinc/94/21/69/394942169.db2.gz FJSPCBZMMOUCKE-GFCCVEGCSA-N 1 2 291.326 2.067 10 0 CEAELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000132980042 394942171 /nfs/dbraw/zinc/94/21/71/394942171.db2.gz FJSPCBZMMOUCKE-GFCCVEGCSA-N 1 2 291.326 2.067 10 0 CEAELO CCO[C@H]1C[C@H]([N@H+](C)Cc2ncnn2CC)C12CCCC2 ZINC000193430818 153230941 /nfs/dbraw/zinc/23/09/41/153230941.db2.gz ZXYRGBLDKLYAGP-KBPBESRZSA-N 1 2 292.427 2.468 10 0 CEAELO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ncnn2CC)C12CCCC2 ZINC000193430818 153230946 /nfs/dbraw/zinc/23/09/46/153230946.db2.gz ZXYRGBLDKLYAGP-KBPBESRZSA-N 1 2 292.427 2.468 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)NC2CCCCC2)o1 ZINC000220929391 153306640 /nfs/dbraw/zinc/30/66/40/153306640.db2.gz GELXORKKPCLNFC-LLVKDONJSA-N 1 2 265.357 2.083 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CCCC2)o1 ZINC000230643399 153392901 /nfs/dbraw/zinc/39/29/01/153392901.db2.gz YCTIEBFSJDPNMG-GHMZBOCLSA-N 1 2 265.357 2.081 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCCCCC2)o1 ZINC000230641130 153393554 /nfs/dbraw/zinc/39/35/54/153393554.db2.gz IHNRXOLDWCXWGE-GFCCVEGCSA-N 1 2 265.357 2.036 10 0 CEAELO CNC(=O)[C@H]1CCCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000161692336 162329990 /nfs/dbraw/zinc/32/99/90/162329990.db2.gz BZQXQIDVKRGIDA-NWDGAFQWSA-N 1 2 290.411 2.491 10 0 CEAELO COc1ccccc1C(C)(C)[NH2+]Cc1nnnn1C(C)C ZINC000171672648 162388205 /nfs/dbraw/zinc/38/82/05/162388205.db2.gz JQVKUJRPTGRMML-UHFFFAOYSA-N 1 2 289.383 2.288 10 0 CEAELO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1C ZINC000172027023 162397129 /nfs/dbraw/zinc/39/71/29/162397129.db2.gz UXPAJGFZMPUAAD-LLVKDONJSA-N 1 2 260.341 2.308 10 0 CEAELO CCc1nnc(C[N@H+]2CCC[C@@H]2c2ccco2)n1C ZINC000172027023 162397131 /nfs/dbraw/zinc/39/71/31/162397131.db2.gz UXPAJGFZMPUAAD-LLVKDONJSA-N 1 2 260.341 2.308 10 0 CEAELO CCCCC[C@H](CC)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000180107310 165296892 /nfs/dbraw/zinc/29/68/92/165296892.db2.gz QQYGMAJLDGHYBF-UONOGXRCSA-N 1 2 270.417 2.040 10 0 CEAELO CCCCC[C@H](CC)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000180107310 165296896 /nfs/dbraw/zinc/29/68/96/165296896.db2.gz QQYGMAJLDGHYBF-UONOGXRCSA-N 1 2 270.417 2.040 10 0 CEAELO S=c1[nH]c2ccccc2n1CC[NH+]1CCOCC1 ZINC000020584433 171258095 /nfs/dbraw/zinc/25/80/95/171258095.db2.gz XFOJVRLDLJNJIZ-UHFFFAOYSA-N 1 2 263.366 2.031 10 0 CEAELO C[C@@H]([NH2+]Cc1nc(=O)c2sccc2[nH]1)c1ccco1 ZINC000035139199 172007227 /nfs/dbraw/zinc/00/72/27/172007227.db2.gz OAIQVNGNDCAGNX-MRVPVSSYSA-N 1 2 275.333 2.428 10 0 CEAELO C[C@H](Sc1ccc(N)[nH+]c1)C(=O)N1CCCCC1 ZINC000037192519 173021944 /nfs/dbraw/zinc/02/19/44/173021944.db2.gz ZFRXIHKTEZVXCN-JTQLQIEISA-N 1 2 265.382 2.157 10 0 CEAELO C[N@H+](Cc1nc2ccc(N)cc2[nH]1)[C@@H]1CCSC1 ZINC000037273577 173085869 /nfs/dbraw/zinc/08/58/69/173085869.db2.gz QAUFISWDWCZONC-SNVBAGLBSA-N 1 2 262.382 2.082 10 0 CEAELO C[N@@H+](Cc1nc2ccc(N)cc2[nH]1)[C@@H]1CCSC1 ZINC000037273577 173085871 /nfs/dbraw/zinc/08/58/71/173085871.db2.gz QAUFISWDWCZONC-SNVBAGLBSA-N 1 2 262.382 2.082 10 0 CEAELO Nc1ccc2[nH]c(CSc3nncs3)[nH+]c2c1 ZINC000037285731 173091686 /nfs/dbraw/zinc/09/16/86/173091686.db2.gz STHYFAQBEINROX-UHFFFAOYSA-N 1 2 263.351 2.289 10 0 CEAELO CCC[NH2+][C@@H](C(=O)OC)c1cc(C)c(O)c(C)c1 ZINC000037513445 173244638 /nfs/dbraw/zinc/24/46/38/173244638.db2.gz GOEFDAVOFNHWKX-GFCCVEGCSA-N 1 2 251.326 2.223 10 0 CEAELO Cc1csc(C[NH2+][C@@H]2COc3cc(O)ccc32)n1 ZINC000038090552 174103720 /nfs/dbraw/zinc/10/37/20/174103720.db2.gz CGXALDMUELKSKJ-LLVKDONJSA-N 1 2 262.334 2.380 10 0 CEAELO Nc1[nH+]cnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701712 174378971 /nfs/dbraw/zinc/37/89/71/174378971.db2.gz KFDJJXJPXIIOSU-UHFFFAOYSA-N 1 2 269.230 2.403 10 0 CEAELO CC[NH2+][C@@](C)(CCN(CC(F)(F)F)C(C)C)C(=O)OC ZINC000045273982 175344387 /nfs/dbraw/zinc/34/43/87/175344387.db2.gz OOOBYVXSTBQYHO-LBPRGKRZSA-N 1 2 298.349 2.190 10 0 CEAELO CCOC(=O)[C@H](CN1c2ccccc2C[C@@H]1C)[NH2+]C(C)C ZINC000045368947 175363994 /nfs/dbraw/zinc/36/39/94/175363994.db2.gz CYBMMAPSOSGXOO-ZFWWWQNUSA-N 1 2 290.407 2.367 10 0 CEAELO CCOC(=O)[C@H](CN(C)c1ccccc1)[NH2+]C(C)C ZINC000045376504 175367163 /nfs/dbraw/zinc/36/71/63/175367163.db2.gz UNEUEPKAKCBYLE-AWEZNQCLSA-N 1 2 264.369 2.053 10 0 CEAELO CC[N@H+](CCC[C@](C)([NH2+]C)C(=O)[O-])c1ccccc1 ZINC000045379896 175368957 /nfs/dbraw/zinc/36/89/57/175368957.db2.gz DYVRDVOHUDJHMB-HNNXBMFYSA-N 1 2 264.369 2.356 10 0 CEAELO CC[N@@H+](CCC[C@](C)([NH2+]C)C(=O)[O-])c1ccccc1 ZINC000045379896 175368959 /nfs/dbraw/zinc/36/89/59/175368959.db2.gz DYVRDVOHUDJHMB-HNNXBMFYSA-N 1 2 264.369 2.356 10 0 CEAELO Clc1c(C[NH2+]Cc2nnc[nH]2)[nH]c2ccccc12 ZINC000070374809 175899363 /nfs/dbraw/zinc/89/93/63/175899363.db2.gz ABDPASGQLQCPFU-UHFFFAOYSA-N 1 2 261.716 2.229 10 0 CEAELO C[C@H]1C[NH+](CC(=O)c2ccc(O)cc2)C[C@H](C)S1 ZINC000070384330 175904088 /nfs/dbraw/zinc/90/40/88/175904088.db2.gz LWOPWMBYIKLAPP-QWRGUYRKSA-N 1 2 265.378 2.401 10 0 CEAELO Cc1cc2ncc(C[NH2+][C@@H](C)c3nccs3)cn2n1 ZINC000070942358 176015119 /nfs/dbraw/zinc/01/51/19/176015119.db2.gz VCRPCUJBSYLXJZ-JTQLQIEISA-N 1 2 273.365 2.345 10 0 CEAELO COC(=O)C[N@H+](C[C@H]1OCCc2ccccc21)C(C)C ZINC000071030850 176021780 /nfs/dbraw/zinc/02/17/80/176021780.db2.gz DSOKLPDSRPPALO-OAHLLOKOSA-N 1 2 277.364 2.184 10 0 CEAELO COC(=O)C[N@@H+](C[C@H]1OCCc2ccccc21)C(C)C ZINC000071030850 176021782 /nfs/dbraw/zinc/02/17/82/176021782.db2.gz DSOKLPDSRPPALO-OAHLLOKOSA-N 1 2 277.364 2.184 10 0 CEAELO C[C@@H](C[NH+]1CCCCC1)[NH2+]CCCCCC(=O)[O-] ZINC000071293800 176111647 /nfs/dbraw/zinc/11/16/47/176111647.db2.gz AKHSKRAPRQLCEB-ZDUSSCGKSA-N 1 2 256.390 2.095 10 0 CEAELO C[N@H+](CCNc1ccc([NH3+])cc1C(=O)[O-])C1CCCC1 ZINC000071379945 176144442 /nfs/dbraw/zinc/14/44/42/176144442.db2.gz PAOQYQIYUQYNQA-UHFFFAOYSA-N 1 2 277.368 2.253 10 0 CEAELO C[N@@H+](CCNc1ccc([NH3+])cc1C(=O)[O-])C1CCCC1 ZINC000071379945 176144444 /nfs/dbraw/zinc/14/44/44/176144444.db2.gz PAOQYQIYUQYNQA-UHFFFAOYSA-N 1 2 277.368 2.253 10 0 CEAELO CCOC(=O)[C@](C)([NH2+]CCOC)C1CCCCC1 ZINC000071399912 176152371 /nfs/dbraw/zinc/15/23/71/176152371.db2.gz YWGXMZAVTOTMJE-CQSZACIVSA-N 1 2 257.374 2.125 10 0 CEAELO Cc1cc[nH+]cc1Nc1nnc(C)c(C)c1C(N)=S ZINC000071414374 176159590 /nfs/dbraw/zinc/15/95/90/176159590.db2.gz CKQDJUPESUAAJL-UHFFFAOYSA-N 1 2 273.365 2.175 10 0 CEAELO O=C(NCc1cn2cc(F)ccc2[nH+]1)c1cccs1 ZINC000071446270 176175365 /nfs/dbraw/zinc/17/53/65/176175365.db2.gz OEZDKCQDWLVRHM-UHFFFAOYSA-N 1 2 275.308 2.465 10 0 CEAELO CC(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000071446397 176175499 /nfs/dbraw/zinc/17/54/99/176175499.db2.gz KBUAQBIJOSOXFQ-UHFFFAOYSA-N 1 2 296.168 2.369 10 0 CEAELO O=C(NCc1cn2cc(C(F)(F)F)ccc2[nH+]1)C1CC1 ZINC000071446499 176175546 /nfs/dbraw/zinc/17/55/46/176175546.db2.gz YQMXGZILEUBADM-UHFFFAOYSA-N 1 2 283.253 2.379 10 0 CEAELO Cc1ccc2[nH+]c(CCNC(=O)c3cccnc3)cn2c1 ZINC000071490606 176190651 /nfs/dbraw/zinc/19/06/51/176190651.db2.gz HPXCWPIAQUIFKV-UHFFFAOYSA-N 1 2 280.331 2.010 10 0 CEAELO C[C@H]1CC(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H](C)C1 ZINC000662627205 415909544 /nfs/dbraw/zinc/90/95/44/415909544.db2.gz CCQDINXIQLAAOV-CKYFFXLPSA-N 1 2 274.355 2.172 10 0 CEAELO COC(=O)c1cccc(C[NH+]2[C@H](C)COC[C@H]2C)c1 ZINC000077371044 177260030 /nfs/dbraw/zinc/26/00/30/177260030.db2.gz KKXMQMYNJVSQBL-VXGBXAGGSA-N 1 2 263.337 2.082 10 0 CEAELO C[C@@]1(c2ccccc2)CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000261856555 278130143 /nfs/dbraw/zinc/13/01/43/278130143.db2.gz AAFSGSLPJZSACX-DZGCQCFKSA-N 1 2 294.345 2.174 10 0 CEAELO Cc1cn2cc(I)ccc2[nH+]1 ZINC000089201650 279005332 /nfs/dbraw/zinc/00/53/32/279005332.db2.gz VVEMUZHHSSDWPO-UHFFFAOYSA-N 1 2 258.062 2.247 10 0 CEAELO CC(C)c1nc(N2CCS[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000159318608 289250543 /nfs/dbraw/zinc/25/05/43/289250543.db2.gz HKNXLCNCCYJEPM-JTQLQIEISA-N 1 2 281.429 2.003 10 0 CEAELO CC(C)c1nc(N(C)C)nc(N2CCS[C@@H](C)C2)[nH+]1 ZINC000159318608 289250544 /nfs/dbraw/zinc/25/05/44/289250544.db2.gz HKNXLCNCCYJEPM-JTQLQIEISA-N 1 2 281.429 2.003 10 0 CEAELO Cc1nc(N(C)C2CCS(=O)CC2)c2c([nH+]1)CCCC2 ZINC000302111671 293402526 /nfs/dbraw/zinc/40/25/26/293402526.db2.gz UPQFHGWUPFVEGR-UHFFFAOYSA-N 1 2 293.436 2.011 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1ccc(F)cc1C ZINC000185182947 321739892 /nfs/dbraw/zinc/73/98/92/321739892.db2.gz NGNYLVGFLCJIFJ-UHFFFAOYSA-N 1 2 296.367 2.466 10 0 CEAELO CCC[NH+]1CCN(c2nc3c(s2)C(=O)CCC3)CC1 ZINC000054861335 519860734 /nfs/dbraw/zinc/86/07/34/519860734.db2.gz RAPNMCWQLHBVCX-UHFFFAOYSA-N 1 2 279.409 2.194 10 0 CEAELO CCC[NH2+][C@@](C[NH+]1[C@@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096106 520056144 /nfs/dbraw/zinc/05/61/44/520056144.db2.gz SLFTZLSYWJVXPU-HEHGZKQESA-N 1 2 282.428 2.482 10 0 CEAELO CCC[NH2+][C@](C)(Cn1nc(C)c(Cl)c1C)C(=O)OC ZINC000050588225 520116579 /nfs/dbraw/zinc/11/65/79/520116579.db2.gz VPAJTBANJZRWMO-CYBMUJFWSA-N 1 2 287.791 2.085 10 0 CEAELO CC[NH2+][C@@](C)(CCOC1CCCC1)C(=O)OCC ZINC000045505466 520134613 /nfs/dbraw/zinc/13/46/13/520134613.db2.gz DAHVNLBHJDMFCF-AWEZNQCLSA-N 1 2 257.374 2.267 10 0 CEAELO CC[NH2+][C@H](CCN(C)c1cccc(F)c1)C(=O)OCC ZINC000062530006 520187008 /nfs/dbraw/zinc/18/70/08/520187008.db2.gz YNXXGVVXFIVBNZ-CQSZACIVSA-N 1 2 282.359 2.193 10 0 CEAELO CC[NH2+][C@H](CCN(CC)c1ccc(F)cc1)C(=O)OC ZINC000062530487 520187661 /nfs/dbraw/zinc/18/76/61/520187661.db2.gz PABNIZIIZJBSAA-CQSZACIVSA-N 1 2 282.359 2.193 10 0 CEAELO CC[NH2+][C@H](CCOc1cccc(C)c1)C(=O)OCC ZINC000062549683 520193019 /nfs/dbraw/zinc/19/30/19/520193019.db2.gz DPOPZXAKWOOPEY-CQSZACIVSA-N 1 2 265.353 2.305 10 0 CEAELO CC[NH2+][C@](COCCCC(C)C)(C(=O)OC)C1CC1 ZINC000069195782 520249681 /nfs/dbraw/zinc/24/96/81/520249681.db2.gz QFABQFBPVLUOBB-HNNXBMFYSA-N 1 2 271.401 2.371 10 0 CEAELO CCNc1ccc(Cl)c(C[N@H+](CCO)C2CC2)n1 ZINC000061638996 520308337 /nfs/dbraw/zinc/30/83/37/520308337.db2.gz QXHRTMKJBGXVRA-UHFFFAOYSA-N 1 2 269.776 2.124 10 0 CEAELO CCNc1ccc(Cl)c(C[N@@H+](CCO)C2CC2)n1 ZINC000061638996 520308350 /nfs/dbraw/zinc/30/83/50/520308350.db2.gz QXHRTMKJBGXVRA-UHFFFAOYSA-N 1 2 269.776 2.124 10 0 CEAELO CCOC(=O)[C@H](CCN(CC)c1ccc(C)cc1)[NH2+]C ZINC000062529061 521242278 /nfs/dbraw/zinc/24/22/78/521242278.db2.gz AKHOZHKBFCVKEF-HNNXBMFYSA-N 1 2 278.396 2.363 10 0 CEAELO CCCN(CC[C@H]([NH2+]CC)C(=O)OCC)CC(F)(F)F ZINC000062455791 521670194 /nfs/dbraw/zinc/67/01/94/521670194.db2.gz UOXFQKWXKHKIGC-NSHDSACASA-N 1 2 298.349 2.192 10 0 CEAELO CC(C)[N@H+](C)CCCCNc1cccc(C(=O)[O-])[nH+]1 ZINC000051067423 519616298 /nfs/dbraw/zinc/61/62/98/519616298.db2.gz CIGKOQKNYQYDLX-UHFFFAOYSA-N 1 2 265.357 2.312 10 0 CEAELO CC(C)[N@@H+](C)CCCCNc1cccc(C(=O)[O-])[nH+]1 ZINC000051067423 519616300 /nfs/dbraw/zinc/61/63/00/519616300.db2.gz CIGKOQKNYQYDLX-UHFFFAOYSA-N 1 2 265.357 2.312 10 0 CEAELO CC(C)[NH+]1CCN(c2nc3c(s2)C(=O)CCC3)CC1 ZINC000054862190 519683447 /nfs/dbraw/zinc/68/34/47/519683447.db2.gz BBPGJCVZGXHJRL-UHFFFAOYSA-N 1 2 279.409 2.193 10 0 CEAELO CCCC1=NN(c2ccccc2F)C(=O)[C@H]1CC[NH3+] ZINC000069506112 519894908 /nfs/dbraw/zinc/89/49/08/519894908.db2.gz CLZIHSJEKNHDJT-JTQLQIEISA-N 1 2 263.316 2.293 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](CCC)C(C)C)(C(=O)[O-])C1CC1 ZINC000069097756 520051640 /nfs/dbraw/zinc/05/16/40/520051640.db2.gz KXXMXEFTNLNFRQ-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](CCC)C(C)C)(C(=O)[O-])C1CC1 ZINC000069097756 520051643 /nfs/dbraw/zinc/05/16/43/520051643.db2.gz KXXMXEFTNLNFRQ-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CCN(C(=O)c1cccc(NN)[nH+]1)c1ccc(C)cc1 ZINC000051114024 520099598 /nfs/dbraw/zinc/09/95/98/520099598.db2.gz IEORBEGNRBDODH-UHFFFAOYSA-N 1 2 270.336 2.342 10 0 CEAELO CC[NH2+][C@@](COCCCC(C)C)(C(=O)OC)C1CC1 ZINC000069195783 520155981 /nfs/dbraw/zinc/15/59/81/520155981.db2.gz QFABQFBPVLUOBB-OAHLLOKOSA-N 1 2 271.401 2.371 10 0 CEAELO CCCNc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OCC)cn1 ZINC000050814872 520156373 /nfs/dbraw/zinc/15/63/73/520156373.db2.gz CKSCGFWMMOWXMQ-CQSZACIVSA-N 1 2 291.395 2.431 10 0 CEAELO CCCNc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OCC)cn1 ZINC000050814872 520156380 /nfs/dbraw/zinc/15/63/80/520156380.db2.gz CKSCGFWMMOWXMQ-CQSZACIVSA-N 1 2 291.395 2.431 10 0 CEAELO CC[NH2+][C@H](CCOc1ccccc1OCC)C(=O)OCC ZINC000062548133 520194632 /nfs/dbraw/zinc/19/46/32/520194632.db2.gz ZRZJSPJFWNAJAJ-CYBMUJFWSA-N 1 2 295.379 2.395 10 0 CEAELO CCCNc1[nH+]cccc1CN1C(=O)CCCCC1=O ZINC000052733363 520196168 /nfs/dbraw/zinc/19/61/68/520196168.db2.gz KNXWSBLDCIMHQD-UHFFFAOYSA-N 1 2 275.352 2.333 10 0 CEAELO CC[N@H+](C)CCNc1[nH+]c2c(cc1C(=O)[O-])CCCC2 ZINC000054528719 520240101 /nfs/dbraw/zinc/24/01/01/520240101.db2.gz BMQOOLKYLDOLEN-UHFFFAOYSA-N 1 2 277.368 2.022 10 0 CEAELO CC[N@@H+](C)CCNc1[nH+]c2c(cc1C(=O)[O-])CCCC2 ZINC000054528719 520240110 /nfs/dbraw/zinc/24/01/10/520240110.db2.gz BMQOOLKYLDOLEN-UHFFFAOYSA-N 1 2 277.368 2.022 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)OCCOC(C)C)C(=O)OCC ZINC000068654330 520241160 /nfs/dbraw/zinc/24/11/60/520241160.db2.gz KNBQMSZFTZECNT-DZGCQCFKSA-N 1 2 289.416 2.138 10 0 CEAELO CCNc1cc(Cn2ncc3ccccc3c2=O)cc[nH+]1 ZINC000052732379 520275058 /nfs/dbraw/zinc/27/50/58/520275058.db2.gz XYIBOUMJBBTWKJ-UHFFFAOYSA-N 1 2 280.331 2.272 10 0 CEAELO CCNc1snnc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000050791986 520388604 /nfs/dbraw/zinc/38/86/04/520388604.db2.gz WXIOPCPBXPHGAH-NXEZZACHSA-N 1 2 254.403 2.448 10 0 CEAELO CCCOc1nc(Cl)nc(-n2cc[nH+]c2CC)n1 ZINC000061543052 520491904 /nfs/dbraw/zinc/49/19/04/520491904.db2.gz WYIQWQDMQXASAH-UHFFFAOYSA-N 1 2 267.720 2.062 10 0 CEAELO CCC[C@@H](C)N(C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061537921 520647536 /nfs/dbraw/zinc/64/75/36/520647536.db2.gz DIPCWPYDXULBCY-SECBINFHSA-N 1 2 280.763 2.336 10 0 CEAELO CCCCOC[C@]([NH2+]CCC)(C(=O)OC)C1CC1 ZINC000069198044 520810718 /nfs/dbraw/zinc/81/07/18/520810718.db2.gz DAMJSCFKEOZRHX-CQSZACIVSA-N 1 2 257.374 2.125 10 0 CEAELO CCOC(=O)[C@@H](CCN(CC)c1cccc(C)c1)[NH2+]C ZINC000062452923 521057057 /nfs/dbraw/zinc/05/70/57/521057057.db2.gz DRPPZCXXRSBQIC-OAHLLOKOSA-N 1 2 278.396 2.363 10 0 CEAELO CCOC(=O)[C@@H](CCOc1cccc(OC)c1)[NH2+]C(C)C ZINC000062548525 521062915 /nfs/dbraw/zinc/06/29/15/521062915.db2.gz OLAIFSADXQFING-OAHLLOKOSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@@H](COc1ccccc1F)[NH2+]C(C)C ZINC000045515031 521066628 /nfs/dbraw/zinc/06/66/28/521066628.db2.gz AZRWKBRPZDDTFV-GFCCVEGCSA-N 1 2 269.316 2.134 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@@H](C)OCC(F)(F)F)[NH2+]C1CC1 ZINC000068654680 521150096 /nfs/dbraw/zinc/15/00/96/521150096.db2.gz ZBFCNFNUAZSBSL-BXKDBHETSA-N 1 2 297.317 2.418 10 0 CEAELO CCCc1[nH+]c(-c2cccc3cccnc32)c(N)n1N ZINC000069501661 521466631 /nfs/dbraw/zinc/46/66/31/521466631.db2.gz CXUDCBYKVBWFHQ-UHFFFAOYSA-N 1 2 267.336 2.347 10 0 CEAELO CCOc1ccccc1O[C@@H](C)C[C@@](C)([NH2+]C)C(=O)OC ZINC000068655426 521569152 /nfs/dbraw/zinc/56/91/52/521569152.db2.gz NGSZBNDETPQHDU-BLLLJJGKSA-N 1 2 295.379 2.394 10 0 CEAELO CCC[N@H+](C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C(C)C ZINC000069097699 521676035 /nfs/dbraw/zinc/67/60/35/521676035.db2.gz KLWCXKSTRUEZMT-HNNXBMFYSA-N 1 2 268.401 2.092 10 0 CEAELO CCC[N@@H+](C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C(C)C ZINC000069097699 521676037 /nfs/dbraw/zinc/67/60/37/521676037.db2.gz KLWCXKSTRUEZMT-HNNXBMFYSA-N 1 2 268.401 2.092 10 0 CEAELO COC(=O)c1cc(C)ccc1NCc1[nH]c[nH+]c1C ZINC000054794846 521823067 /nfs/dbraw/zinc/82/30/67/521823067.db2.gz FLEWDNIAOKHZNQ-UHFFFAOYSA-N 1 2 259.309 2.425 10 0 CEAELO CNC(=O)c1ccc(Cl)c(NCc2c[nH+]c[nH]2)c1 ZINC000054764704 521826928 /nfs/dbraw/zinc/82/69/28/521826928.db2.gz PKVDIZNVRCRENT-UHFFFAOYSA-N 1 2 264.716 2.035 10 0 CEAELO CNC(=O)c1ccc(Cl)c(NCc2c[nH]c[nH+]2)c1 ZINC000054764704 521826941 /nfs/dbraw/zinc/82/69/41/521826941.db2.gz PKVDIZNVRCRENT-UHFFFAOYSA-N 1 2 264.716 2.035 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)Oc1ccc(F)cc1F)C(=O)OC ZINC000068654846 522417533 /nfs/dbraw/zinc/41/75/33/522417533.db2.gz 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525030125 /nfs/dbraw/zinc/03/01/25/525030125.db2.gz FAKXRIIGWYSXQZ-JTQLQIEISA-N 1 2 267.398 2.464 10 0 CEAELO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3CO)no2)cc1 ZINC000050116138 525812884 /nfs/dbraw/zinc/81/28/84/525812884.db2.gz BQJPSLCOQZRNFX-CYBMUJFWSA-N 1 2 273.336 2.002 10 0 CEAELO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3CO)no2)cc1 ZINC000050116138 525812893 /nfs/dbraw/zinc/81/28/93/525812893.db2.gz BQJPSLCOQZRNFX-CYBMUJFWSA-N 1 2 273.336 2.002 10 0 CEAELO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000155908531 525906726 /nfs/dbraw/zinc/90/67/26/525906726.db2.gz ZTXKYWYRRDPXNG-NWDGAFQWSA-N 1 2 273.336 2.224 10 0 CEAELO Cc1cc(C(=O)C[N@@H+]2CCCC[C@@H]2CO)c(C)s1 ZINC000050152244 526204219 /nfs/dbraw/zinc/20/42/19/526204219.db2.gz JHJYSXOOUQAEBQ-GFCCVEGCSA-N 1 2 267.394 2.394 10 0 CEAELO Cc1cc(C(=O)C[N@H+]2CCCC[C@@H]2CO)c(C)s1 ZINC000050152244 526204229 /nfs/dbraw/zinc/20/42/29/526204229.db2.gz JHJYSXOOUQAEBQ-GFCCVEGCSA-N 1 2 267.394 2.394 10 0 CEAELO Cc1ccc(C(=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000054534470 526231685 /nfs/dbraw/zinc/23/16/85/526231685.db2.gz VJSUWCRSVVUJNV-UHFFFAOYSA-N 1 2 289.379 2.153 10 0 CEAELO O[C@H]1CCC[N@H+](Cc2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000055351680 526305000 /nfs/dbraw/zinc/30/50/00/526305000.db2.gz KHOSHTQRUJRRCN-LBPRGKRZSA-N 1 2 293.754 2.347 10 0 CEAELO O[C@H]1CCC[N@@H+](Cc2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000055351680 526305007 /nfs/dbraw/zinc/30/50/07/526305007.db2.gz KHOSHTQRUJRRCN-LBPRGKRZSA-N 1 2 293.754 2.347 10 0 CEAELO Cc1csc([C@H]2C[N@H+](CCc3ccncc3)CCO2)n1 ZINC000157776262 526443644 /nfs/dbraw/zinc/44/36/44/526443644.db2.gz VLNZYJOVTWRMNH-CQSZACIVSA-N 1 2 289.404 2.463 10 0 CEAELO Cc1csc([C@H]2C[N@@H+](CCc3ccncc3)CCO2)n1 ZINC000157776262 526443650 /nfs/dbraw/zinc/44/36/50/526443650.db2.gz VLNZYJOVTWRMNH-CQSZACIVSA-N 1 2 289.404 2.463 10 0 CEAELO Clc1nc(OCc2ccccc2)nc(-n2cc[nH+]c2)n1 ZINC000061519476 527007239 /nfs/dbraw/zinc/00/72/39/527007239.db2.gz SQWPYUWVGZVHAT-UHFFFAOYSA-N 1 2 287.710 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Cc1nn(C)c(C)c1-c1nc(C)c(C(C)C)c(NN)[nH+]1 ZINC000061689066 527602175 /nfs/dbraw/zinc/60/21/75/527602175.db2.gz UIUGUEFXFOJICK-UHFFFAOYSA-N 1 2 274.372 2.211 10 0 CEAELO O[C@@H]1CCC[N@H+](Cc2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000055351685 527670341 /nfs/dbraw/zinc/67/03/41/527670341.db2.gz KHOSHTQRUJRRCN-GFCCVEGCSA-N 1 2 293.754 2.347 10 0 CEAELO O[C@@H]1CCC[N@@H+](Cc2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000055351685 527670343 /nfs/dbraw/zinc/67/03/43/527670343.db2.gz KHOSHTQRUJRRCN-GFCCVEGCSA-N 1 2 293.754 2.347 10 0 CEAELO CC(C)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177338676 527732102 /nfs/dbraw/zinc/73/21/02/527732102.db2.gz XFADVCQJQOXUNR-CYBMUJFWSA-N 1 2 264.373 2.103 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1F)C2 ZINC000220614360 538853159 /nfs/dbraw/zinc/85/31/59/538853159.db2.gz UDSQNHHPTUSQQK-LLVKDONJSA-N 1 2 287.338 2.279 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1F)CC2 ZINC000220614360 538853166 /nfs/dbraw/zinc/85/31/66/538853166.db2.gz UDSQNHHPTUSQQK-LLVKDONJSA-N 1 2 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ZINC000248663610 371232800 /nfs/dbraw/zinc/23/28/00/371232800.db2.gz ZWCYKLKPTNBYTE-LSDHHAIUSA-N 1 2 299.436 2.299 10 0 CEAELO CCCCOC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000248663610 371232801 /nfs/dbraw/zinc/23/28/01/371232801.db2.gz ZWCYKLKPTNBYTE-LSDHHAIUSA-N 1 2 299.436 2.299 10 0 CEAELO O[C@H](C[N@@H+]1CCO[C@H](c2nccs2)C1)C1CCCCC1 ZINC000248973084 371276344 /nfs/dbraw/zinc/27/63/44/371276344.db2.gz SPZYFWPBMMGABX-KGLIPLIRSA-N 1 2 296.436 2.458 10 0 CEAELO O[C@H](C[N@H+]1CCO[C@H](c2nccs2)C1)C1CCCCC1 ZINC000248973084 371276349 /nfs/dbraw/zinc/27/63/49/371276349.db2.gz SPZYFWPBMMGABX-KGLIPLIRSA-N 1 2 296.436 2.458 10 0 CEAELO CN(C)C(=O)[C@@H]1CCc2[nH+]cc(-c3ccc(F)cc3)n2C1 ZINC000257196591 371609045 /nfs/dbraw/zinc/60/90/45/371609045.db2.gz YNAMAKGXICXTNH-GFCCVEGCSA-N 1 2 287.338 2.340 10 0 CEAELO CO[C@H]1C[C@@H](CO)[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000344158987 217078555 /nfs/dbraw/zinc/07/85/55/217078555.db2.gz YLZLWXDQXDOSHK-RYUDHWBXSA-N 1 2 284.425 2.022 10 0 CEAELO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000344158987 217078557 /nfs/dbraw/zinc/07/85/57/217078557.db2.gz YLZLWXDQXDOSHK-RYUDHWBXSA-N 1 2 284.425 2.022 10 0 CEAELO O=C1C[N@H+](Cc2ccc3ccccc3n2)[C@H]2CCCC[C@H]2N1 ZINC000132146338 296335057 /nfs/dbraw/zinc/33/50/57/296335057.db2.gz UFXNAVQJWGNFQD-SJORKVTESA-N 1 2 295.386 2.478 10 0 CEAELO O=C1C[N@@H+](Cc2ccc3ccccc3n2)[C@H]2CCCC[C@H]2N1 ZINC000132146338 296335059 /nfs/dbraw/zinc/33/50/59/296335059.db2.gz UFXNAVQJWGNFQD-SJORKVTESA-N 1 2 295.386 2.478 10 0 CEAELO Cc1scc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000335242787 208009272 /nfs/dbraw/zinc/00/92/72/208009272.db2.gz VVUKHAIJQSLJGD-CMPLNLGQSA-N 1 2 252.383 2.222 10 0 CEAELO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1nccs1 ZINC000080308987 177638723 /nfs/dbraw/zinc/63/87/23/177638723.db2.gz MGFUESSYJNMUQY-JTQLQIEISA-N 1 2 261.350 2.432 10 0 CEAELO CC[NH2+][C@]1(C(=O)OC)CC[C@@H](Oc2ccc(F)cc2F)C1 ZINC000093836681 184730550 /nfs/dbraw/zinc/73/05/50/184730550.db2.gz YKQKLUPPKGPJSR-IAQYHMDHSA-N 1 2 299.317 2.417 10 0 CEAELO C[NH2+][C@@]1(C(=O)OC)CC[C@H](Oc2ccc(C)c(C)c2)C1 ZINC000093845812 184730801 /nfs/dbraw/zinc/73/08/01/184730801.db2.gz OAXVBQWDDFJEGR-HOCLYGCPSA-N 1 2 277.364 2.366 10 0 CEAELO Cn1c[nH+]cc1[C@@H](O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094389743 184792941 /nfs/dbraw/zinc/79/29/41/184792941.db2.gz GVKOEMZYPMCMBQ-YPMHNXCESA-N 1 2 282.409 2.146 10 0 CEAELO CC[NH+](CC)CCC[NH2+]c1cc(C)c(N)c(C(=O)[O-])c1 ZINC000094694083 184840468 /nfs/dbraw/zinc/84/04/68/184840468.db2.gz GQSOEGLYMTXEFS-UHFFFAOYSA-N 1 2 279.384 2.419 10 0 CEAELO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000171702898 533397534 /nfs/dbraw/zinc/39/75/34/533397534.db2.gz LTIGERKSEQKXRR-LBPRGKRZSA-N 1 2 294.420 2.379 10 0 CEAELO COc1ccc(C)cc1NC(=O)C[N@H+]1CCS[C@@H](C)C1 ZINC000171702898 533397536 /nfs/dbraw/zinc/39/75/36/533397536.db2.gz LTIGERKSEQKXRR-LBPRGKRZSA-N 1 2 294.420 2.379 10 0 CEAELO C[C@@H]1OCCC[C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000191278416 130214409 /nfs/dbraw/zinc/21/44/09/130214409.db2.gz IPVVJNKIEXYKRB-KBPBESRZSA-N 1 2 291.395 2.205 10 0 CEAELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)Nc1cccc(F)c1 ZINC000250128814 131124184 /nfs/dbraw/zinc/12/41/84/131124184.db2.gz ZXGQZMYUYUIPNC-CABCVRRESA-N 1 2 292.354 2.408 10 0 CEAELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)Nc1cccc(F)c1 ZINC000250128814 131124185 /nfs/dbraw/zinc/12/41/85/131124185.db2.gz ZXGQZMYUYUIPNC-CABCVRRESA-N 1 2 292.354 2.408 10 0 CEAELO CCC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000085682154 135037794 /nfs/dbraw/zinc/03/77/94/135037794.db2.gz ZRIBNCZUDNFVLR-GFCCVEGCSA-N 1 2 264.344 2.315 10 0 CEAELO CC(C)(C)[NH+]1CCN(c2ncncc2Br)CC1 ZINC000090781648 135064633 /nfs/dbraw/zinc/06/46/33/135064633.db2.gz ARYPCRAFKKHEJY-UHFFFAOYSA-N 1 2 299.216 2.160 10 0 CEAELO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000049674871 394549481 /nfs/dbraw/zinc/54/94/81/394549481.db2.gz VNKNRFZEDVEXIX-ABAIWWIYSA-N 1 2 287.363 2.028 10 0 CEAELO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000249399640 394554875 /nfs/dbraw/zinc/55/48/75/394554875.db2.gz SJDXJSSMQUHEQZ-CABCVRRESA-N 1 2 285.334 2.499 10 0 CEAELO CC[C@](C)(O)C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000249399640 394554877 /nfs/dbraw/zinc/55/48/77/394554877.db2.gz SJDXJSSMQUHEQZ-CABCVRRESA-N 1 2 285.334 2.499 10 0 CEAELO O=C(Nc1nc2ccsc2s1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263110344 394627408 /nfs/dbraw/zinc/62/74/08/394627408.db2.gz AFWQBJDYAIRATP-LURJTMIESA-N 1 2 289.332 2.294 10 0 CEAELO C[C@@H]([NH2+]Cc1nccc(N)n1)c1cccc(-n2ccnc2)c1 ZINC000189919155 153112900 /nfs/dbraw/zinc/11/29/00/153112900.db2.gz PGYSVPMKTKZFOA-GFCCVEGCSA-N 1 2 294.362 2.095 10 0 CEAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC000190746608 153141626 /nfs/dbraw/zinc/14/16/26/153141626.db2.gz MANNSAMMUJBYHY-MRXNPFEDSA-N 1 2 288.391 2.015 10 0 CEAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC000190746608 153141630 /nfs/dbraw/zinc/14/16/30/153141630.db2.gz MANNSAMMUJBYHY-MRXNPFEDSA-N 1 2 288.391 2.015 10 0 CEAELO CCSCC[N@@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191711147 153184839 /nfs/dbraw/zinc/18/48/39/153184839.db2.gz JVMBRKBKAHPONI-CYBMUJFWSA-N 1 2 269.414 2.029 10 0 CEAELO CCSCC[N@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191711147 153184844 /nfs/dbraw/zinc/18/48/44/153184844.db2.gz JVMBRKBKAHPONI-CYBMUJFWSA-N 1 2 269.414 2.029 10 0 CEAELO CCc1nnc(CSc2[nH+]cc3ccccn32)n1C ZINC000194673878 153262458 /nfs/dbraw/zinc/26/24/58/153262458.db2.gz STBVPEVQQGFVOZ-UHFFFAOYSA-N 1 2 273.365 2.318 10 0 CEAELO CCOC(=O)C[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195442745 153287870 /nfs/dbraw/zinc/28/78/70/153287870.db2.gz DVFFABIBJRQKCK-LLVKDONJSA-N 1 2 282.409 2.448 10 0 CEAELO CCOC(=O)C[N@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195442745 153287874 /nfs/dbraw/zinc/28/78/74/153287874.db2.gz DVFFABIBJRQKCK-LLVKDONJSA-N 1 2 282.409 2.448 10 0 CEAELO CCCc1nc(C[NH+]2CCC(c3ccnn3C)CC2)no1 ZINC000195504054 153291891 /nfs/dbraw/zinc/29/18/91/153291891.db2.gz RNWDVLRHQIWCTN-UHFFFAOYSA-N 1 2 289.383 2.135 10 0 CEAELO CCOCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195513574 153292911 /nfs/dbraw/zinc/29/29/11/153292911.db2.gz HCRDIZKFVBDBMM-ZDUSSCGKSA-N 1 2 278.400 2.178 10 0 CEAELO CCOCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195513574 153292913 /nfs/dbraw/zinc/29/29/13/153292913.db2.gz HCRDIZKFVBDBMM-ZDUSSCGKSA-N 1 2 278.400 2.178 10 0 CEAELO C[C@H](CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC000183227994 165387565 /nfs/dbraw/zinc/38/75/65/165387565.db2.gz AZQQGHRUCLOOAT-KFWWJZLASA-N 1 2 296.455 2.286 10 0 CEAELO CC[NH+]1CCN(C(=O)c2c(F)c(C)cc(F)c2F)CC1 ZINC000006311690 170190130 /nfs/dbraw/zinc/19/01/30/170190130.db2.gz PDQRMJLJHNMHQZ-UHFFFAOYSA-N 1 2 286.297 2.190 10 0 CEAELO Cc1cnc(NS(=O)(=O)c2ccc([C@H](C)[NH3+])cc2)s1 ZINC000021047173 171294561 /nfs/dbraw/zinc/29/45/61/171294561.db2.gz AOMGJLGGDTXJQJ-VIFPVBQESA-N 1 2 297.405 2.272 10 0 CEAELO Cc1c(N)cccc1NC(=O)CCCn1cc[nH+]c1 ZINC000022163276 171364596 /nfs/dbraw/zinc/36/45/96/171364596.db2.gz RTRVOJSMHOUWFU-UHFFFAOYSA-N 1 2 258.325 2.193 10 0 CEAELO Nc1nc(Cc2[nH]c3cc(F)c(F)cc3[nH+]2)cs1 ZINC000035412251 172183414 /nfs/dbraw/zinc/18/34/14/172183414.db2.gz MVWRRMJFTLAPNX-UHFFFAOYSA-N 1 2 266.276 2.471 10 0 CEAELO Cc1[nH+]c2cc(C(=O)[O-])ccc2n1C1CC[NH+](C)CC1 ZINC000037267740 173078483 /nfs/dbraw/zinc/07/84/83/173078483.db2.gz GWVMRZFRUAVOQX-UHFFFAOYSA-N 1 2 273.336 2.310 10 0 CEAELO Cn1ccnc1SCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000037285516 173091884 /nfs/dbraw/zinc/09/18/84/173091884.db2.gz XZJAXEYWGVESPR-UHFFFAOYSA-N 1 2 259.338 2.171 10 0 CEAELO O=c1nc(C[NH2+]Cc2ccc(F)cc2)[nH]c2ccsc21 ZINC000037328658 173129567 /nfs/dbraw/zinc/12/95/67/173129567.db2.gz YQVMVICRGYTOQN-UHFFFAOYSA-N 1 2 289.335 2.414 10 0 CEAELO O=C(Nc1ccc(Cl)c2cccnc12)[C@H]1CSC[NH2+]1 ZINC000037764547 173691908 /nfs/dbraw/zinc/69/19/08/173691908.db2.gz MAESLTDNGTUZTK-LLVKDONJSA-N 1 2 293.779 2.489 10 0 CEAELO COC(=O)[C@@](C)([NH2+]C1CCCC1)c1ccc2c(c1)OCO2 ZINC000037969831 173919470 /nfs/dbraw/zinc/91/94/70/173919470.db2.gz BJUBQCFVFRXINS-INIZCTEOSA-N 1 2 291.347 2.336 10 0 CEAELO COc1ccc(Nc2[nH+]cnc(N3CCCC3)c2N)cc1 ZINC000040724395 174386637 /nfs/dbraw/zinc/38/66/37/174386637.db2.gz ZEBNXFKMLOWTNL-UHFFFAOYSA-N 1 2 285.351 2.411 10 0 CEAELO Nc1c(Nc2ccccn2)nc[nH+]c1NCc1ccco1 ZINC000040761255 174397168 /nfs/dbraw/zinc/39/71/68/174397168.db2.gz KLTOZNALCUPABH-UHFFFAOYSA-N 1 2 282.307 2.403 10 0 CEAELO CC(C)CCOCCNc1cc(C(N)=S)cc[nH+]1 ZINC000045109731 175309601 /nfs/dbraw/zinc/30/96/01/175309601.db2.gz ULRWZKIECQLRCN-UHFFFAOYSA-N 1 2 267.398 2.190 10 0 CEAELO CCC[NH2+][C@@](C)(CCN1CCc2ccccc21)C(=O)OC ZINC000045224344 175332394 /nfs/dbraw/zinc/33/23/94/175332394.db2.gz MRQIFTXYRLPFCE-KRWDZBQOSA-N 1 2 290.407 2.371 10 0 CEAELO CCOC(=O)[C@](C)(CN1CCc2ccccc21)[NH2+]C(C)C ZINC000045224268 175332400 /nfs/dbraw/zinc/33/24/00/175332400.db2.gz YGZHICAKWMWVOG-KRWDZBQOSA-N 1 2 290.407 2.369 10 0 CEAELO CCOC(=O)[C@](C)(CN(C)c1ccccc1)[NH2+]C(C)C ZINC000045227618 175333371 /nfs/dbraw/zinc/33/33/71/175333371.db2.gz JQRXEUWKQCEQIP-INIZCTEOSA-N 1 2 278.396 2.443 10 0 CEAELO CC[NH2+][C@](C)(C[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271867 175342272 /nfs/dbraw/zinc/34/22/72/175342272.db2.gz KPYDWBCRPLYLLD-CQSZACIVSA-N 1 2 256.390 2.094 10 0 CEAELO CC[NH2+][C@](C)(C[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271867 175342273 /nfs/dbraw/zinc/34/22/73/175342273.db2.gz KPYDWBCRPLYLLD-CQSZACIVSA-N 1 2 256.390 2.094 10 0 CEAELO CC[NH2+][C@@](C)(C[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273744 175343849 /nfs/dbraw/zinc/34/38/49/175343849.db2.gz UHECAKAPDCYJIH-AWEZNQCLSA-N 1 2 258.406 2.053 10 0 CEAELO CCCN(CC(F)(F)F)C[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045274357 175345081 /nfs/dbraw/zinc/34/50/81/175345081.db2.gz HMWDHLPAVPOJRZ-GFCCVEGCSA-N 1 2 298.349 2.192 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277345 175347285 /nfs/dbraw/zinc/34/72/85/175347285.db2.gz UBCFMYXXWSCRHN-ZBFHGGJFSA-N 1 2 282.428 2.482 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277345 175347287 /nfs/dbraw/zinc/34/72/87/175347287.db2.gz UBCFMYXXWSCRHN-ZBFHGGJFSA-N 1 2 282.428 2.482 10 0 CEAELO CCCC[N@H+](C[C@](C)([NH2+]C1CC1)C(=O)[O-])[C@@H](C)CC ZINC000045282509 175353106 /nfs/dbraw/zinc/35/31/06/175353106.db2.gz BRVOUBQMJLPUKM-WFASDCNBSA-N 1 2 270.417 2.482 10 0 CEAELO CCCC[N@@H+](C[C@](C)([NH2+]C1CC1)C(=O)[O-])[C@@H](C)CC ZINC000045282509 175353108 /nfs/dbraw/zinc/35/31/08/175353108.db2.gz BRVOUBQMJLPUKM-WFASDCNBSA-N 1 2 270.417 2.482 10 0 CEAELO CCC[NH2+][C@H](C[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045420344 175378428 /nfs/dbraw/zinc/37/84/28/175378428.db2.gz QSCXGSYVQXDLGJ-CYBMUJFWSA-N 1 2 258.406 2.053 10 0 CEAELO O=[S@@]1CC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000070674394 176000700 /nfs/dbraw/zinc/00/07/00/176000700.db2.gz IVPXHWAAWVXZOX-BMIGLBTASA-N 1 2 264.177 2.386 10 0 CEAELO C[C@@H]1Oc2c(cccc2C(=O)NCc2[nH]cc[nH+]2)[C@@H]1C ZINC000070991700 176020432 /nfs/dbraw/zinc/02/04/32/176020432.db2.gz IZRGRRAXAGSAGZ-ZJUUUORDSA-N 1 2 271.320 2.224 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090976 176031273 /nfs/dbraw/zinc/03/12/73/176031273.db2.gz JAHLSLHRYWMZOS-HOTGVXAUSA-N 1 2 291.391 2.478 10 0 CEAELO COC(=O)[C@@](C)(COc1cc(F)ccc1F)[NH2+]C(C)C ZINC000071168481 176049752 /nfs/dbraw/zinc/04/97/52/176049752.db2.gz HBJAZKSYZWOENN-CQSZACIVSA-N 1 2 287.306 2.273 10 0 CEAELO CC[NH2+][C@@](C)(CCOc1cc(F)ccc1F)C(=O)OC ZINC000071168550 176049954 /nfs/dbraw/zinc/04/99/54/176049954.db2.gz JMJJFBPAAHCHDY-AWEZNQCLSA-N 1 2 287.306 2.275 10 0 CEAELO COc1ccc2cc(Cn3ccsc3=O)c(N)[nH+]c2c1 ZINC000071351215 176134579 /nfs/dbraw/zinc/13/45/79/176134579.db2.gz BZKXOVPRZBHDFS-UHFFFAOYSA-N 1 2 287.344 2.097 10 0 CEAELO CC(C)OC(=O)c1c(N)cccc1[C@@H](C)[NH+]1CCOCC1 ZINC000071414053 176159401 /nfs/dbraw/zinc/15/94/01/176159401.db2.gz WDRHLKLLLRXWAH-GFCCVEGCSA-N 1 2 292.379 2.227 10 0 CEAELO CC(C)(C)OC(=O)NCc1cn2cc(F)ccc2[nH+]1 ZINC000071446393 176175605 /nfs/dbraw/zinc/17/56/05/176175605.db2.gz NAKVAQHXKTVQFO-UHFFFAOYSA-N 1 2 265.288 2.498 10 0 CEAELO Cc1ccn2cc(CC(=O)NCc3ccco3)[nH+]c2c1 ZINC000071541192 176195614 /nfs/dbraw/zinc/19/56/14/176195614.db2.gz IKBCGQXMKYPZIZ-UHFFFAOYSA-N 1 2 269.304 2.095 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000077366646 177258306 /nfs/dbraw/zinc/25/83/06/177258306.db2.gz SVRLBWDLKVLAEG-OKILXGFUSA-N 1 2 280.412 2.102 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC000077366646 177258309 /nfs/dbraw/zinc/25/83/09/177258309.db2.gz SVRLBWDLKVLAEG-OKILXGFUSA-N 1 2 280.412 2.102 10 0 CEAELO C[C@@H](CCC(=O)[O-])[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000080177904 177618491 /nfs/dbraw/zinc/61/84/91/177618491.db2.gz DZVSSIBGEJOBQE-NWDGAFQWSA-N 1 2 267.373 2.141 10 0 CEAELO C[C@@H](CNC(=O)[C@@H]1CCCCC1(C)C)[NH+]1CCOCC1 ZINC000193792402 270289309 /nfs/dbraw/zinc/28/93/09/270289309.db2.gz JTSNZHMSCDXXHB-KBPBESRZSA-N 1 2 282.428 2.040 10 0 CEAELO CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(N)[nH+]c2)C1 ZINC000114209384 277190989 /nfs/dbraw/zinc/19/09/89/277190989.db2.gz UBSQRANNNQODLZ-LLVKDONJSA-N 1 2 263.341 2.388 10 0 CEAELO CC(C)(C)OC(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000390822210 277194738 /nfs/dbraw/zinc/19/47/38/277194738.db2.gz URJNLKAIOCSMBH-UHFFFAOYSA-N 1 2 293.367 2.209 10 0 CEAELO CC(C)n1nnnc1C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000106862651 278155204 /nfs/dbraw/zinc/15/52/04/278155204.db2.gz NGSHDBWGIDDTLJ-GFCCVEGCSA-N 1 2 271.368 2.373 10 0 CEAELO CC(C)n1nnnc1C[N@H+]1CCc2ccccc2[C@H]1C ZINC000106862651 278155206 /nfs/dbraw/zinc/15/52/06/278155206.db2.gz NGSHDBWGIDDTLJ-GFCCVEGCSA-N 1 2 271.368 2.373 10 0 CEAELO C[C@]1(c2ccccc2)CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000261856560 278570724 /nfs/dbraw/zinc/57/07/24/278570724.db2.gz AAFSGSLPJZSACX-ZFWWWQNUSA-N 1 2 294.345 2.174 10 0 CEAELO CCc1cccc(C[NH+]2CCN(C[C@H](O)CC)CC2)c1 ZINC000189449125 280149891 /nfs/dbraw/zinc/14/98/91/280149891.db2.gz HUADESYGXMUZHO-QGZVFWFLSA-N 1 2 276.424 2.138 10 0 CEAELO O=C(c1ccc2[nH+]ccn2c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000057782674 280202736 /nfs/dbraw/zinc/20/27/36/280202736.db2.gz IBJYEVKDTQZDHT-KBPBESRZSA-N 1 2 285.347 2.118 10 0 CEAELO CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000245404188 280237997 /nfs/dbraw/zinc/23/79/97/280237997.db2.gz OHBWLKLFECFXPL-ZIAGYGMSSA-N 1 2 298.427 2.099 10 0 CEAELO CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000245404188 280237999 /nfs/dbraw/zinc/23/79/99/280237999.db2.gz OHBWLKLFECFXPL-ZIAGYGMSSA-N 1 2 298.427 2.099 10 0 CEAELO CC(C)N(c1n[nH]c(C[NH+]2CCCC2)n1)C(C)C ZINC000536957468 330383370 /nfs/dbraw/zinc/38/33/70/330383370.db2.gz KKQMOAVTBZZYPD-UHFFFAOYSA-N 1 2 251.378 2.024 10 0 CEAELO CCC[NH2+][C@](C[N@H+](C)CC1CCCC1)(C(=O)[O-])C1CC1 ZINC000069233263 520116415 /nfs/dbraw/zinc/11/64/15/520116415.db2.gz NFNJBZQWOLQDJC-INIZCTEOSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](C)CC1CCCC1)(C(=O)[O-])C1CC1 ZINC000069233263 520116424 /nfs/dbraw/zinc/11/64/24/520116424.db2.gz NFNJBZQWOLQDJC-INIZCTEOSA-N 1 2 282.428 2.341 10 0 CEAELO CCCCC[N@H+](C[C@@]([NH2+]C)(C(=O)[O-])C1CC1)C(C)C ZINC000069132326 520175261 /nfs/dbraw/zinc/17/52/61/520175261.db2.gz FDFFBBFEIZTQAZ-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CCCCC[N@@H+](C[C@@]([NH2+]C)(C(=O)[O-])C1CC1)C(C)C ZINC000069132326 520175272 /nfs/dbraw/zinc/17/52/72/520175272.db2.gz FDFFBBFEIZTQAZ-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)Sc1ncc(C)cn1)C(=O)OC ZINC000068640008 520238601 /nfs/dbraw/zinc/23/86/01/520238601.db2.gz UWXVGHHIBQAQTE-BXUZGUMPSA-N 1 2 297.424 2.197 10 0 CEAELO CC(C)[NH2+][C@@](C)(CC[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000050912233 519736167 /nfs/dbraw/zinc/73/61/67/519736167.db2.gz XULOFGODLYRIGM-INIZCTEOSA-N 1 2 276.380 2.234 10 0 CEAELO CC(C)Sc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061544148 519788560 /nfs/dbraw/zinc/78/85/60/519788560.db2.gz XYTDGLQMARSLTJ-UHFFFAOYSA-N 1 2 255.734 2.211 10 0 CEAELO CCCc1[nH]n(C2CCCCC2)c(=O)c1CC[NH3+] ZINC000069506579 519893829 /nfs/dbraw/zinc/89/38/29/519893829.db2.gz MVUPZPFYTMFAJN-LBPRGKRZSA-N 1 2 251.374 2.282 10 0 CEAELO CC[NH2+][C@@](C)(Cn1c(CC)nc2ccccc21)C(=O)OC ZINC000062807967 520147330 /nfs/dbraw/zinc/14/73/30/520147330.db2.gz FOLRAWNAPGNGRE-INIZCTEOSA-N 1 2 289.379 2.140 10 0 CEAELO CC[NH2+][C@@](COC(C)(C)C)(C(=O)OCC)C1CC1 ZINC000069195691 520154025 /nfs/dbraw/zinc/15/40/25/520154025.db2.gz CSBTTWDMSLVWFI-CQSZACIVSA-N 1 2 257.374 2.123 10 0 CEAELO CCCNc1[nH+]cnc2c1cnn2-c1nc(C)cc(C)n1 ZINC000062366884 520200378 /nfs/dbraw/zinc/20/03/78/520200378.db2.gz ARMHTRJJASXTDF-UHFFFAOYSA-N 1 2 283.339 2.044 10 0 CEAELO CC[NH2+][C@](C)(COc1ccccc1OC)C(=O)OCC ZINC000045518345 520233425 /nfs/dbraw/zinc/23/34/25/520233425.db2.gz MWSKZTWKBHRXTO-OAHLLOKOSA-N 1 2 281.352 2.005 10 0 CEAELO CC[NH2+][C@](C)(Cn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062808010 520243264 /nfs/dbraw/zinc/24/32/64/520243264.db2.gz RRUWIRGVQJDFHR-OAHLLOKOSA-N 1 2 275.352 2.052 10 0 CEAELO CCOc1ccc(OC[C@@]([NH2+]C)(C(=O)OC)C2CC2)cc1 ZINC000069196981 521179387 /nfs/dbraw/zinc/17/93/87/521179387.db2.gz AXSVLLRXPLHMRQ-INIZCTEOSA-N 1 2 293.363 2.005 10 0 CEAELO CCOc1ccc(OC[C@]([NH2+]C)(C(=O)OC)C2CC2)cc1 ZINC000069196980 521181008 /nfs/dbraw/zinc/18/10/08/521181008.db2.gz AXSVLLRXPLHMRQ-MRXNPFEDSA-N 1 2 293.363 2.005 10 0 CEAELO CCOC(=O)[C@H](CCSc1ccc(F)cc1)[NH2+]C ZINC000062598909 521247061 /nfs/dbraw/zinc/24/70/61/521247061.db2.gz HDTGNJPVSFOTOB-LBPRGKRZSA-N 1 2 271.357 2.459 10 0 CEAELO CCOC(=O)[C@](COc1ccc(F)cc1F)([NH2+]C)C1CC1 ZINC000069196898 521342578 /nfs/dbraw/zinc/34/25/78/521342578.db2.gz CPIYJAOTYPDZHM-OAHLLOKOSA-N 1 2 299.317 2.275 10 0 CEAELO CCOC(=O)[C@](COCCCC(C)C)([NH2+]C)C1CC1 ZINC000069195794 521343324 /nfs/dbraw/zinc/34/33/24/521343324.db2.gz UYGGADCLUIFAOE-OAHLLOKOSA-N 1 2 271.401 2.371 10 0 CEAELO CCOc1cccc(O[C@@H](C)C[C@@](C)([NH2+]C)C(=O)OC)c1 ZINC000068658335 521403580 /nfs/dbraw/zinc/40/35/80/521403580.db2.gz WLAQVBYPPFSCBI-BLLLJJGKSA-N 1 2 295.379 2.394 10 0 CEAELO COC(=O)c1cc([NH2+]C[C@@H](C)CSC)ccc1N ZINC000069507355 521893170 /nfs/dbraw/zinc/89/31/70/521893170.db2.gz ZPOUMJHJOBRXKJ-SECBINFHSA-N 1 2 268.382 2.466 10 0 CEAELO COc1cc(-c2nc(N)c(C)c(C)[nH+]2)cc(OC)c1OC ZINC000050867442 521899846 /nfs/dbraw/zinc/89/98/46/521899846.db2.gz CPUFXFSVZVNBKU-UHFFFAOYSA-N 1 2 289.335 2.368 10 0 CEAELO C[NH2+][C@@](CO[C@H]1CCCC[C@@H]1C)(C(=O)OC)C1CC1 ZINC000069196197 522427951 /nfs/dbraw/zinc/42/79/51/522427951.db2.gz GNVABQCZOUVQLM-CORIIIEPSA-N 1 2 269.385 2.123 10 0 CEAELO C[NH2+][C@@](CO[C@H]1CCC[C@@H](C)C1)(C(=O)OC)C1CC1 ZINC000069195451 522429090 /nfs/dbraw/zinc/42/90/90/522429090.db2.gz FUMZIVMVJDGKDT-OSAQELSMSA-N 1 2 269.385 2.123 10 0 CEAELO C[NH2+][C@H](CCOc1ccccc1C(F)(F)F)C(=O)OC ZINC000062546943 522463752 /nfs/dbraw/zinc/46/37/52/522463752.db2.gz JIAYYZFJXFZYIJ-SNVBAGLBSA-N 1 2 291.269 2.235 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)n1cnc2ccccc21)C(=O)OC ZINC000068648919 522523150 /nfs/dbraw/zinc/52/31/50/522523150.db2.gz DDXKMOUMSFWTNF-IAQYHMDHSA-N 1 2 275.352 2.139 10 0 CEAELO C[NH2+][C@](CSC1CCCC1)(C(=O)OC)C1CC1 ZINC000069190579 522531467 /nfs/dbraw/zinc/53/14/67/522531467.db2.gz RWSCPCPXSSMDJF-ZDUSSCGKSA-N 1 2 257.399 2.203 10 0 CEAELO COc1cc(NCc2c[nH+]c(C)[nH]2)cc(OC)c1OC ZINC000054797832 522748155 /nfs/dbraw/zinc/74/81/55/522748155.db2.gz ZFAGQVHTXDOGEL-UHFFFAOYSA-N 1 2 277.324 2.356 10 0 CEAELO COc1cc(NCc2c[nH]c(C)[nH+]2)cc(OC)c1OC ZINC000054797832 522748175 /nfs/dbraw/zinc/74/81/75/522748175.db2.gz ZFAGQVHTXDOGEL-UHFFFAOYSA-N 1 2 277.324 2.356 10 0 CEAELO CC[C@@H]1CCCN1c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061538282 523271882 /nfs/dbraw/zinc/27/18/82/523271882.db2.gz GCTNXRQLWLNWEH-SECBINFHSA-N 1 2 278.747 2.090 10 0 CEAELO COC(=O)[C@@H](CCN(C)c1cccc(C)c1)[NH2+]C(C)C ZINC000062529597 523572193 /nfs/dbraw/zinc/57/21/93/523572193.db2.gz XGIHNRGKDNVYLB-OAHLLOKOSA-N 1 2 278.396 2.361 10 0 CEAELO C[NH+]1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1 ZINC000052537341 523884773 /nfs/dbraw/zinc/88/47/73/523884773.db2.gz OFYYBGKKIYOGOY-UHFFFAOYSA-N 1 2 293.417 2.259 10 0 CEAELO COC(=O)[C@](C)(C[C@@H](C)n1cc(Cl)c(C)n1)[NH2+]C1CC1 ZINC000068650668 524000321 /nfs/dbraw/zinc/00/03/21/524000321.db2.gz DLARFWWFRLYACG-OTYXRUKQSA-N 1 2 299.802 2.480 10 0 CEAELO COC(=O)[C@](C)(C[C@@H](C)Sc1ccncn1)[NH2+]C1CC1 ZINC000068643716 524000501 /nfs/dbraw/zinc/00/05/01/524000501.db2.gz GSIZXWPXADEDMW-YGRLFVJLSA-N 1 2 295.408 2.031 10 0 CEAELO COC(=O)[C@](COc1ccccc1)([NH2+]C(C)C)C1CC1 ZINC000069197603 524004907 /nfs/dbraw/zinc/00/49/07/524004907.db2.gz GRBZTSPSGLGYSM-MRXNPFEDSA-N 1 2 277.364 2.385 10 0 CEAELO COc1ccc(NC(C)=O)cc1NCc1[nH]c[nH+]c1C ZINC000054795462 524672430 /nfs/dbraw/zinc/67/24/30/524672430.db2.gz QJQGZAHZRPRVCO-UHFFFAOYSA-N 1 2 274.324 2.297 10 0 CEAELO COc1ccc(Nc2cc[nH+]c(C(N)=S)c2)cc1OC ZINC000061811996 524716511 /nfs/dbraw/zinc/71/65/11/524716511.db2.gz PWGIMDVYSIPJJN-UHFFFAOYSA-N 1 2 289.360 2.477 10 0 CEAELO C[C@H](Cn1cc[nH+]c1)Nc1c(F)cc(N)cc1F ZINC000049234815 524794414 /nfs/dbraw/zinc/79/44/14/524794414.db2.gz CCMCGEKXROZEIA-MRVPVSSYSA-N 1 2 252.268 2.244 10 0 CEAELO COc1ccc2cc(Cn3cc[nH+]c3)c(N)nc2c1 ZINC000050818550 525634587 /nfs/dbraw/zinc/63/45/87/525634587.db2.gz SXMMCWONKMDZHV-UHFFFAOYSA-N 1 2 254.293 2.070 10 0 CEAELO C[C@@H](O)[C@@H]([NH3+])c1nc(-c2ccc3ccccc3c2)no1 ZINC000054439636 525846226 /nfs/dbraw/zinc/84/62/26/525846226.db2.gz NCJQYNJSJURQEN-NOZJJQNGSA-N 1 2 269.304 2.270 10 0 CEAELO COc1cccc(OC)c1OCc1cc[nH+]c(N)c1 ZINC000052734269 526223232 /nfs/dbraw/zinc/22/32/32/526223232.db2.gz MUXDPNDCOZVHDB-UHFFFAOYSA-N 1 2 260.293 2.260 10 0 CEAELO Cc1ccc(C(=O)[O-])c(NC[C@H](C)[NH+]2CCCCC2)[nH+]1 ZINC000054528951 526232522 /nfs/dbraw/zinc/23/25/22/526232522.db2.gz DNVZBAWQQCYRIE-LBPRGKRZSA-N 1 2 277.368 2.375 10 0 CEAELO O=C(C1CC1)N1CC[NH+]([C@@H]2CCOc3ccccc32)CC1 ZINC000049720376 526286238 /nfs/dbraw/zinc/28/62/38/526286238.db2.gz XIZNKJVIHAADBP-OAHLLOKOSA-N 1 2 286.375 2.064 10 0 CEAELO c1cc(CNc2ccc(N3CCCCC3)[nH+]c2)ncn1 ZINC000054789149 526430473 /nfs/dbraw/zinc/43/04/73/526430473.db2.gz DUZLKFZLYFHQCR-UHFFFAOYSA-N 1 2 269.352 2.474 10 0 CEAELO O=C(CCn1cc[nH+]c1)Nc1ccc2c(c1)NCCC2 ZINC000069053000 526678512 /nfs/dbraw/zinc/67/85/12/526678512.db2.gz DSSJGQHDZUWDSS-UHFFFAOYSA-N 1 2 270.336 2.270 10 0 CEAELO Cc1[nH+]c2ccccc2n1C[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045431599 527172045 /nfs/dbraw/zinc/17/20/45/527172045.db2.gz JFVHVLVEQOMXGA-OAHLLOKOSA-N 1 2 275.352 2.186 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccc2c(c1)OCCCO2 ZINC000054793592 527215440 /nfs/dbraw/zinc/21/54/40/527215440.db2.gz GQFGCYPKGHPEDT-UHFFFAOYSA-N 1 2 259.309 2.492 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccc(C(N)=O)c(Cl)c1 ZINC000054796024 527215793 /nfs/dbraw/zinc/21/57/93/527215793.db2.gz GNRPCIGIGMSPHK-UHFFFAOYSA-N 1 2 264.716 2.083 10 0 CEAELO Nc1cccc(NC(=O)C[NH+]2Cc3ccccc3C2)c1 ZINC000050909765 527519250 /nfs/dbraw/zinc/51/92/50/527519250.db2.gz NHOQPWSTSUJOHE-UHFFFAOYSA-N 1 2 267.332 2.223 10 0 CEAELO Nc1c[nH+]ccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000062725974 527536430 /nfs/dbraw/zinc/53/64/30/527536430.db2.gz JNSYENZIGLCZHK-UHFFFAOYSA-N 1 2 289.769 2.180 10 0 CEAELO CCC(C)(C)NC(=O)C[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176883525 528550216 /nfs/dbraw/zinc/55/02/16/528550216.db2.gz HNZQBVDMRPQFPV-FQEVSTJZSA-N 1 2 299.440 2.018 10 0 CEAELO CCO[C@@H]1CCCN(c2cc([C@@H](C)O)cc[nH+]2)C1 ZINC000095003190 535745197 /nfs/dbraw/zinc/74/51/97/535745197.db2.gz TVYKFUYGTHLTFI-DGCLKSJQSA-N 1 2 250.342 2.140 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(Cc2cc(C)no2)C1 ZINC000888102968 628871741 /nfs/dbraw/zinc/87/17/41/628871741.db2.gz XHKGFOMEXBVWFU-OCCSQVGLSA-N 1 2 290.367 2.285 10 0 CEAELO CCCCC[C@H](C)CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000079505948 631178307 /nfs/dbraw/zinc/17/83/07/631178307.db2.gz JCQNEDFIBPJTRD-GJZGRUSLSA-N 1 2 284.444 2.430 10 0 CEAELO COC1CC(Nc2nc(C)[nH+]c(C)c2Br)C1 ZINC000322785555 632242118 /nfs/dbraw/zinc/24/21/18/632242118.db2.gz KFJHYLIDMZCUJA-UHFFFAOYSA-N 1 2 286.173 2.445 10 0 CEAELO C[C@H](CNC(=O)C1CCCCCCC1)[NH+]1CCOCC1 ZINC000172848427 639818753 /nfs/dbraw/zinc/81/87/53/639818753.db2.gz BGWTUBIMBDTEDT-CQSZACIVSA-N 1 2 282.428 2.184 10 0 CEAELO CC[C@@H](C)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000127821883 187334247 /nfs/dbraw/zinc/33/42/47/187334247.db2.gz OURIGTATTQLMDP-LLVKDONJSA-N 1 2 258.387 2.425 10 0 CEAELO C[C@@](CO)([NH2+]Cc1cccs1)c1nccs1 ZINC000083144084 178342017 /nfs/dbraw/zinc/34/20/17/178342017.db2.gz HHKMZMNQUPMVJD-NSHDSACASA-N 1 2 254.380 2.202 10 0 CEAELO CC[N@@H+]1CCO[C@H](CNCc2cc(Cl)ccc2F)C1 ZINC000125327221 539217633 /nfs/dbraw/zinc/21/76/33/539217633.db2.gz SQSWNXRLAVFUFC-CYBMUJFWSA-N 1 2 286.778 2.289 10 0 CEAELO CC[N@H+]1CCO[C@H](CNCc2cc(Cl)ccc2F)C1 ZINC000125327221 539217634 /nfs/dbraw/zinc/21/76/34/539217634.db2.gz SQSWNXRLAVFUFC-CYBMUJFWSA-N 1 2 286.778 2.289 10 0 CEAELO CC[N@@H+]1CCO[C@@H](CNCc2cc(Cl)ccc2F)C1 ZINC000125327458 539217670 /nfs/dbraw/zinc/21/76/70/539217670.db2.gz SQSWNXRLAVFUFC-ZDUSSCGKSA-N 1 2 286.778 2.289 10 0 CEAELO CC[N@H+]1CCO[C@@H](CNCc2cc(Cl)ccc2F)C1 ZINC000125327458 539217671 /nfs/dbraw/zinc/21/76/71/539217671.db2.gz SQSWNXRLAVFUFC-ZDUSSCGKSA-N 1 2 286.778 2.289 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C)cc1)C2 ZINC000220586079 539258580 /nfs/dbraw/zinc/25/85/80/539258580.db2.gz FCXLBJJBFPXRHS-AWEZNQCLSA-N 1 2 283.375 2.448 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C)cc1)CC2 ZINC000220586079 539258582 /nfs/dbraw/zinc/25/85/82/539258582.db2.gz FCXLBJJBFPXRHS-AWEZNQCLSA-N 1 2 283.375 2.448 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)c1ccccc1)C2 ZINC000220588184 539258604 /nfs/dbraw/zinc/25/86/04/539258604.db2.gz YYLLNONYBHGOQU-LBPRGKRZSA-N 1 2 269.348 2.486 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)c1ccccc1)CC2 ZINC000220588184 539258605 /nfs/dbraw/zinc/25/86/05/539258605.db2.gz YYLLNONYBHGOQU-LBPRGKRZSA-N 1 2 269.348 2.486 10 0 CEAELO COC(=O)c1cccnc1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000311344676 344733602 /nfs/dbraw/zinc/73/36/02/344733602.db2.gz RFYARSNBFXFJCH-GHMZBOCLSA-N 1 2 280.393 2.194 10 0 CEAELO COC(=O)c1cccnc1C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000311344677 344733859 /nfs/dbraw/zinc/73/38/59/344733859.db2.gz RFYARSNBFXFJCH-PHIMTYICSA-N 1 2 280.393 2.194 10 0 CEAELO COC(=O)c1cccnc1C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000311344677 344733863 /nfs/dbraw/zinc/73/38/63/344733863.db2.gz RFYARSNBFXFJCH-PHIMTYICSA-N 1 2 280.393 2.194 10 0 CEAELO CC[NH2+][C@H](c1cnsn1)c1cc(F)ccc1OC ZINC000097383904 185596659 /nfs/dbraw/zinc/59/66/59/185596659.db2.gz XTSJYRDYBXTEMX-LBPRGKRZSA-N 1 2 267.329 2.385 10 0 CEAELO C[C@@H](O)c1cc[nH+]c(N2C[C@H](C)S[C@@H](C)C2)c1 ZINC000095003541 136515327 /nfs/dbraw/zinc/51/53/27/136515327.db2.gz QKLHMWXAJMYJFV-GARJFASQSA-N 1 2 252.383 2.465 10 0 CEAELO CC[C@](C)([C@@H](NN)c1cccc(C)c1C)[NH+]1CCOCC1 ZINC000097585727 185632235 /nfs/dbraw/zinc/63/22/35/185632235.db2.gz UWZJHPGAAUNAJW-DLBZAZTESA-N 1 2 291.439 2.309 10 0 CEAELO CC[C@H](C)c1ccc(O[C@H]2C[NH2+][C@@H](C(=O)OC)C2)cc1 ZINC000098088909 185685685 /nfs/dbraw/zinc/68/56/85/185685685.db2.gz PGHCKCNUMSMUDW-NILFDRSVSA-N 1 2 277.364 2.482 10 0 CEAELO COCCN1C[C@@](C)(c2ccccc2)[NH2+]C[C@@H]1C(C)C ZINC000085532215 179091535 /nfs/dbraw/zinc/09/15/35/179091535.db2.gz KRXYQFYPSANGHD-SJORKVTESA-N 1 2 276.424 2.478 10 0 CEAELO CCOC(=O)[C@@H](COc1cc(C)ccc1F)[NH2+]C(C)C ZINC000085561088 179094610 /nfs/dbraw/zinc/09/46/10/179094610.db2.gz QMYJHXHGEPRNBQ-CYBMUJFWSA-N 1 2 283.343 2.443 10 0 CEAELO CCNc1nc(C[NH+](C)C)nc(CC)c1Br ZINC000085801322 179173609 /nfs/dbraw/zinc/17/36/09/179173609.db2.gz RCENPZFQGHZESA-UHFFFAOYSA-N 1 2 287.205 2.295 10 0 CEAELO CCOC(=O)c1ncc(C[N@@H+]2C[C@H]3CCC[C@H]32)s1 ZINC000602793339 347201027 /nfs/dbraw/zinc/20/10/27/347201027.db2.gz QJJXAESBOZMPPR-MWLCHTKSSA-N 1 2 266.366 2.304 10 0 CEAELO CCOC(=O)c1ncc(C[N@H+]2C[C@H]3CCC[C@H]32)s1 ZINC000602793339 347201030 /nfs/dbraw/zinc/20/10/30/347201030.db2.gz QJJXAESBOZMPPR-MWLCHTKSSA-N 1 2 266.366 2.304 10 0 CEAELO Cc1cc(C)n(-c2cc(NCc3cccnc3)[nH+]cn2)n1 ZINC000064543276 362788261 /nfs/dbraw/zinc/78/82/61/362788261.db2.gz BXXRHLMLSMYYRL-UHFFFAOYSA-N 1 2 280.335 2.286 10 0 CEAELO CC(C)c1csc([C@]2([NH3+])CCC[C@@H]2S(C)(=O)=O)n1 ZINC000086679298 179319324 /nfs/dbraw/zinc/31/93/24/179319324.db2.gz AFGAGKRJPUNGFS-JQWIXIFHSA-N 1 2 288.438 2.018 10 0 CEAELO CC(=O)N1C[C@@H](c2cc[nH+]c(N)c2)Cc2ccccc21 ZINC000616691312 348562318 /nfs/dbraw/zinc/56/23/18/348562318.db2.gz YCEWTGQLCKRPMZ-AWEZNQCLSA-N 1 2 267.332 2.187 10 0 CEAELO COC(=O)[C@@](C)(CCO[C@H](C)C(F)(F)F)[NH2+]C1CC1 ZINC000090674663 180022266 /nfs/dbraw/zinc/02/22/66/180022266.db2.gz KTOIXIAKWSUDJQ-LDYMZIIASA-N 1 2 283.290 2.028 10 0 CEAELO CCOC(=O)C[N@H+](CC)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090900790 180059088 /nfs/dbraw/zinc/05/90/88/180059088.db2.gz KQVNTWUSLXXIKU-CQSZACIVSA-N 1 2 277.364 2.184 10 0 CEAELO CCOC(=O)C[N@@H+](CC)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090900790 180059090 /nfs/dbraw/zinc/05/90/90/180059090.db2.gz KQVNTWUSLXXIKU-CQSZACIVSA-N 1 2 277.364 2.184 10 0 CEAELO C[C@H]([NH2+]Cc1ccccc1N)c1nnc2n1CCCCC2 ZINC000090962044 180076200 /nfs/dbraw/zinc/07/62/00/180076200.db2.gz RVVMEJAANFKCMF-LBPRGKRZSA-N 1 2 285.395 2.438 10 0 CEAELO Cc1nc([C@@H]2CCc3ccccc32)[nH+]c(NN)c1F ZINC000091500623 180174665 /nfs/dbraw/zinc/17/46/65/180174665.db2.gz MORBNKNCYBPGKK-LLVKDONJSA-N 1 2 258.300 2.288 10 0 CEAELO CC(C)([C@H](O)c1cc(F)ccc1F)[NH+]1CCOCC1 ZINC000091565876 180193725 /nfs/dbraw/zinc/19/37/25/180193725.db2.gz HGIGEHJCYYPELW-CYBMUJFWSA-N 1 2 271.307 2.109 10 0 CEAELO CC[C@@](C)(C(=O)Cc1cccc(OC)c1)[NH+]1CCOCC1 ZINC000091610739 180205805 /nfs/dbraw/zinc/20/58/05/180205805.db2.gz YWOBICNBLBXSEL-KRWDZBQOSA-N 1 2 291.391 2.308 10 0 CEAELO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000091502616 180175540 /nfs/dbraw/zinc/17/55/40/180175540.db2.gz DHRIGBZDUKDUFM-VXGBXAGGSA-N 1 2 275.396 2.278 10 0 CEAELO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1Cc2ccc(N)cc2C1 ZINC000091502616 180175542 /nfs/dbraw/zinc/17/55/42/180175542.db2.gz DHRIGBZDUKDUFM-VXGBXAGGSA-N 1 2 275.396 2.278 10 0 CEAELO C[C@@H](Cn1cc[nH+]c1)n1c(=O)c2sccc2[nH]c1=S ZINC000105045472 186038226 /nfs/dbraw/zinc/03/82/26/186038226.db2.gz WEMIBSRFIAKZLN-QMMMGPOBSA-N 1 2 292.389 2.204 10 0 CEAELO CCCNc1nc([C@@H]2C[N@H+](C)CCO2)nc(C)c1CC ZINC000091722751 180242521 /nfs/dbraw/zinc/24/25/21/180242521.db2.gz NTMFEUAVVLVODY-ZDUSSCGKSA-N 1 2 278.400 2.172 10 0 CEAELO CCCNc1nc([C@@H]2C[N@@H+](C)CCO2)nc(C)c1CC ZINC000091722751 180242523 /nfs/dbraw/zinc/24/25/23/180242523.db2.gz NTMFEUAVVLVODY-ZDUSSCGKSA-N 1 2 278.400 2.172 10 0 CEAELO CC[N@@H+]1CCO[C@H](COc2cc(C)ccc2C(C)=O)C1 ZINC000092056658 180314096 /nfs/dbraw/zinc/31/40/96/180314096.db2.gz WWCXPUZZDQOICP-AWEZNQCLSA-N 1 2 277.364 2.297 10 0 CEAELO CC[N@H+]1CCO[C@H](COc2cc(C)ccc2C(C)=O)C1 ZINC000092056658 180314097 /nfs/dbraw/zinc/31/40/97/180314097.db2.gz WWCXPUZZDQOICP-AWEZNQCLSA-N 1 2 277.364 2.297 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275147 180356242 /nfs/dbraw/zinc/35/62/42/180356242.db2.gz ZNAGJKRGNYJHRS-WDEREUQCSA-N 1 2 265.378 2.417 10 0 CEAELO CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000106384884 186111418 /nfs/dbraw/zinc/11/14/18/186111418.db2.gz JWJYPPPICRIEIR-GHMZBOCLSA-N 1 2 253.346 2.101 10 0 CEAELO CC[C@@H](O)C[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000106384884 186111419 /nfs/dbraw/zinc/11/14/19/186111419.db2.gz JWJYPPPICRIEIR-GHMZBOCLSA-N 1 2 253.346 2.101 10 0 CEAELO CNc1cccc(Cn2cc(C(F)(F)F)cn2)[nH+]1 ZINC000092372370 180370790 /nfs/dbraw/zinc/37/07/90/180370790.db2.gz YARSJESBBPJFPB-UHFFFAOYSA-N 1 2 256.231 2.387 10 0 CEAELO CCc1nn(C)c2c1[nH+]c(N)n2Cc1cc(F)ccc1F ZINC000092578482 180407623 /nfs/dbraw/zinc/40/76/23/180407623.db2.gz QXEFGLJBZNISFH-UHFFFAOYSA-N 1 2 291.305 2.241 10 0 CEAELO C[C@H](CNc1cc(C(=O)[O-])[nH+]c2ccccc12)[NH+](C)C ZINC000109588930 186265133 /nfs/dbraw/zinc/26/51/33/186265133.db2.gz ZUVNMTXASIZOIJ-SNVBAGLBSA-N 1 2 273.336 2.295 10 0 CEAELO COc1ccc2cc(CO[C@@H]3CCOC3)c(N)[nH+]c2c1 ZINC000110532207 186302033 /nfs/dbraw/zinc/30/20/33/186302033.db2.gz QGPOPWVWIQCADF-CYBMUJFWSA-N 1 2 274.320 2.131 10 0 CEAELO NC(=S)Cc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000110950906 186335162 /nfs/dbraw/zinc/33/51/62/186335162.db2.gz SDJIRKLMVLSOIE-UHFFFAOYSA-N 1 2 299.403 2.152 10 0 CEAELO Cc1c[nH+]ccc1NS(=O)(=O)c1ccnc(Cl)c1 ZINC000111043593 186347501 /nfs/dbraw/zinc/34/75/01/186347501.db2.gz OTFPXEMUWOWYOS-UHFFFAOYSA-N 1 2 283.740 2.239 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)[C@H]1CNc2ccccc2O1 ZINC000111043705 186347639 /nfs/dbraw/zinc/34/76/39/186347639.db2.gz DWVRNBOQDTXEIQ-CQSZACIVSA-N 1 2 269.304 2.202 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)[C@H](Cc1ccccc1)C(N)=S ZINC000111043792 186347725 /nfs/dbraw/zinc/34/77/25/186347725.db2.gz XGIAUGBVBSODFP-CYBMUJFWSA-N 1 2 299.399 2.474 10 0 CEAELO Nc1cc2c(cc1[NH2+]C[C@@H]1C[C@H]3CC[C@@H]1C3)NC(=O)CO2 ZINC000111079139 186351731 /nfs/dbraw/zinc/35/17/31/186351731.db2.gz KFDPQXNSEZPKSM-AXFHLTTASA-N 1 2 287.363 2.448 10 0 CEAELO C[NH+](C)CCC[N@H+](C)Cc1cc(/C=C/C(=O)[O-])cs1 ZINC000111142329 186358248 /nfs/dbraw/zinc/35/82/48/186358248.db2.gz YGQPAUAGTXNVQF-AATRIKPKSA-N 1 2 282.409 2.229 10 0 CEAELO C[NH+](C)CCC[N@@H+](C)Cc1cc(/C=C/C(=O)[O-])cs1 ZINC000111142329 186358250 /nfs/dbraw/zinc/35/82/50/186358250.db2.gz YGQPAUAGTXNVQF-AATRIKPKSA-N 1 2 282.409 2.229 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000111184452 186366070 /nfs/dbraw/zinc/36/60/70/186366070.db2.gz UIEHMPPKMCKFCB-LLVKDONJSA-N 1 2 269.304 2.169 10 0 CEAELO Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c(C)[nH+]1 ZINC000152366857 188013657 /nfs/dbraw/zinc/01/36/57/188013657.db2.gz IIDYUKDUASPFKE-TZMCWYRMSA-N 1 2 277.368 2.371 10 0 CEAELO CC[N@@H+]1CCO[C@H](CNc2nc3ccc(N)cc3s2)C1 ZINC000165868840 540326474 /nfs/dbraw/zinc/32/64/74/540326474.db2.gz IAPKBUAPVBPSGJ-LLVKDONJSA-N 1 2 292.408 2.011 10 0 CEAELO CC[N@H+]1CCO[C@H](CNc2nc3ccc(N)cc3s2)C1 ZINC000165868840 540326477 /nfs/dbraw/zinc/32/64/77/540326477.db2.gz IAPKBUAPVBPSGJ-LLVKDONJSA-N 1 2 292.408 2.011 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@](=O)Cc1ccc(CO)cc1 ZINC000180069579 189236012 /nfs/dbraw/zinc/23/60/12/189236012.db2.gz ZPUGXGNGRLRIBC-HXUWFJFHSA-N 1 2 292.404 2.405 10 0 CEAELO CC[NH+](CC)c1ccc2[nH]c3nc(=O)[nH]c-3cc2c1 ZINC000000002864 361116768 /nfs/dbraw/zinc/11/67/68/361116768.db2.gz KKCILUSBJOPNRG-UHFFFAOYSA-N 1 2 256.309 2.251 10 0 CEAELO C[C@@H]1CCCN(c2cc(NCC3(O)CCC3)[nH+]cn2)C1 ZINC000301454054 201014532 /nfs/dbraw/zinc/01/45/32/201014532.db2.gz VMBIFSIEIMKPKD-GFCCVEGCSA-N 1 2 276.384 2.040 10 0 CEAELO C[C@@H]1CCCN(c2cc(NCC3(O)CCC3)nc[nH+]2)C1 ZINC000301454054 201014534 /nfs/dbraw/zinc/01/45/34/201014534.db2.gz VMBIFSIEIMKPKD-GFCCVEGCSA-N 1 2 276.384 2.040 10 0 CEAELO Cc1c(CNc2ccc(N3CCCC3)[nH+]c2)cnn1C ZINC000093649582 364208805 /nfs/dbraw/zinc/20/88/05/364208805.db2.gz IUCGDQKRCVVGHM-UHFFFAOYSA-N 1 2 271.368 2.336 10 0 CEAELO CCCCCC[C@@H](CC)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000116739797 365067876 /nfs/dbraw/zinc/06/78/76/365067876.db2.gz VGUGRESZLITSLY-CABCVRRESA-N 1 2 284.444 2.430 10 0 CEAELO CCCCCC[C@@H](CC)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000116739797 365067883 /nfs/dbraw/zinc/06/78/83/365067883.db2.gz VGUGRESZLITSLY-CABCVRRESA-N 1 2 284.444 2.430 10 0 CEAELO CCCCOCC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000118340875 365151733 /nfs/dbraw/zinc/15/17/33/365151733.db2.gz QURANEFHWDIOFZ-UHFFFAOYSA-N 1 2 293.411 2.245 10 0 CEAELO CC(C)n1nnnc1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000120716116 365463670 /nfs/dbraw/zinc/46/36/70/365463670.db2.gz VXXHSYGDLWUQDO-VIFPVBQESA-N 1 2 281.310 2.383 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000120591683 365446764 /nfs/dbraw/zinc/44/67/64/365446764.db2.gz FMNWCVDGACUCEP-CQSZACIVSA-N 1 2 285.351 2.493 10 0 CEAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccccn1 ZINC000159349745 366903793 /nfs/dbraw/zinc/90/37/93/366903793.db2.gz NUHNJPHFTAUVLK-YPMHNXCESA-N 1 2 271.368 2.421 10 0 CEAELO C[C@@H](c1cccc(F)c1)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000171607405 367577407 /nfs/dbraw/zinc/57/74/07/367577407.db2.gz LYNLSBYJBJRAES-BBRMVZONSA-N 1 2 289.354 2.484 10 0 CEAELO C[C@@H](c1cccc(F)c1)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000171607405 367577412 /nfs/dbraw/zinc/57/74/12/367577412.db2.gz LYNLSBYJBJRAES-BBRMVZONSA-N 1 2 289.354 2.484 10 0 CEAELO CCc1nnc(C[NH2+]C(C)(C)c2ccccc2OC)n1C ZINC000171672659 367588880 /nfs/dbraw/zinc/58/88/80/367588880.db2.gz NEAAULUJDYEMNS-UHFFFAOYSA-N 1 2 288.395 2.411 10 0 CEAELO CCc1nnc([C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)[nH]1 ZINC000173688603 367934392 /nfs/dbraw/zinc/93/43/92/367934392.db2.gz XSYOCZDDKSZNSK-AWEZNQCLSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)[nH]1 ZINC000173688603 367934398 /nfs/dbraw/zinc/93/43/98/367934398.db2.gz XSYOCZDDKSZNSK-AWEZNQCLSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1nc([C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173688603 367934403 /nfs/dbraw/zinc/93/44/03/367934403.db2.gz XSYOCZDDKSZNSK-AWEZNQCLSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1nc([C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173688603 367934409 /nfs/dbraw/zinc/93/44/09/367934409.db2.gz XSYOCZDDKSZNSK-AWEZNQCLSA-N 1 2 286.379 2.249 10 0 CEAELO CCCOCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173925446 367962310 /nfs/dbraw/zinc/96/23/10/367962310.db2.gz HTEQRMLIKZOIIR-CYBMUJFWSA-N 1 2 287.363 2.476 10 0 CEAELO Cc1csc([C@H](C)[NH2+]Cc2nnc(C3CC3)n2C)n1 ZINC000184144373 368674763 /nfs/dbraw/zinc/67/47/63/368674763.db2.gz TWPNPBTWAWNXNE-VIFPVBQESA-N 1 2 277.397 2.308 10 0 CEAELO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ncnn2CC)C12CCCC2 ZINC000248824871 371249846 /nfs/dbraw/zinc/24/98/46/371249846.db2.gz ZXYRGBLDKLYAGP-UONOGXRCSA-N 1 2 292.427 2.468 10 0 CEAELO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ncnn2CC)C12CCCC2 ZINC000248824871 371249851 /nfs/dbraw/zinc/24/98/51/371249851.db2.gz ZXYRGBLDKLYAGP-UONOGXRCSA-N 1 2 292.427 2.468 10 0 CEAELO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ncnn2CC)C12CCCC2 ZINC000248824875 371250522 /nfs/dbraw/zinc/25/05/22/371250522.db2.gz ZXYRGBLDKLYAGP-ZIAGYGMSSA-N 1 2 292.427 2.468 10 0 CEAELO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ncnn2CC)C12CCCC2 ZINC000248824875 371250527 /nfs/dbraw/zinc/25/05/27/371250527.db2.gz ZXYRGBLDKLYAGP-ZIAGYGMSSA-N 1 2 292.427 2.468 10 0 CEAELO Cc1ccc(NC(=O)CCNc2cccc[nH+]2)nc1 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273.384 2.008 10 0 CEAELO CC(C)c1nnc(C[N@@H+](C)CCc2ccncc2)n1C ZINC000181459032 165344380 /nfs/dbraw/zinc/34/43/80/165344380.db2.gz KINGWKWUQOMOMK-UHFFFAOYSA-N 1 2 273.384 2.008 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)OCC(C)C ZINC000181453089 165344717 /nfs/dbraw/zinc/34/47/17/165344717.db2.gz NCNZXZJBGSHDDO-AWEZNQCLSA-N 1 2 293.411 2.373 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)OCC(C)C ZINC000181453089 165344719 /nfs/dbraw/zinc/34/47/19/165344719.db2.gz NCNZXZJBGSHDDO-AWEZNQCLSA-N 1 2 293.411 2.373 10 0 CEAELO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)[NH+]1CCSCC1 ZINC000020256924 171112006 /nfs/dbraw/zinc/11/20/06/171112006.db2.gz FHZLGMWVYPHUGF-VIFPVBQESA-N 1 2 299.827 2.298 10 0 CEAELO NC(=S)c1cc[nH+]c(NCc2cccc(F)c2)c1 ZINC000020473727 171217334 /nfs/dbraw/zinc/21/73/34/171217334.db2.gz XLAFAGIPXHGTFR-UHFFFAOYSA-N 1 2 261.325 2.467 10 0 CEAELO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CCc2ccc(C)cc2)C1 ZINC000284666916 196107033 /nfs/dbraw/zinc/10/70/33/196107033.db2.gz 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ZINC000044787212 175253799 /nfs/dbraw/zinc/25/37/99/175253799.db2.gz MCHMDJYBBOVGKU-UHFFFAOYSA-N 1 2 272.352 2.266 10 0 CEAELO CC[N@H+](C[C@H]([NH2+]C(C)C)C(=O)[O-])C1CCCCC1 ZINC000045372084 175364475 /nfs/dbraw/zinc/36/44/75/175364475.db2.gz BGXVTXJVCHKKCB-ZDUSSCGKSA-N 1 2 256.390 2.092 10 0 CEAELO CC[N@@H+](C[C@H]([NH2+]C(C)C)C(=O)[O-])C1CCCCC1 ZINC000045372084 175364476 /nfs/dbraw/zinc/36/44/76/175364476.db2.gz BGXVTXJVCHKKCB-ZDUSSCGKSA-N 1 2 256.390 2.092 10 0 CEAELO O=[S@@]1CC[NH2+][C@H](c2cc(Cl)ccc2Cl)C1 ZINC000070674644 176000543 /nfs/dbraw/zinc/00/05/43/176000543.db2.gz RDTVKOQRKJTGCO-BONVTDFDSA-N 1 2 264.177 2.386 10 0 CEAELO Nc1ccc(Br)c(C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000070671392 176000774 /nfs/dbraw/zinc/00/07/74/176000774.db2.gz DLKANAFFBIHXHT-UHFFFAOYSA-N 1 2 280.125 2.180 10 0 CEAELO Nc1ccc(NCc2[nH]cc[nH+]2)c(Br)c1 ZINC000070819321 176007746 /nfs/dbraw/zinc/00/77/46/176007746.db2.gz PESDDHDODWHIOB-UHFFFAOYSA-N 1 2 267.130 2.367 10 0 CEAELO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090975 176031218 /nfs/dbraw/zinc/03/12/18/176031218.db2.gz JAHLSLHRYWMZOS-HZPDHXFCSA-N 1 2 291.391 2.478 10 0 CEAELO Cn1cc[nH+]c1CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000071140274 176038332 /nfs/dbraw/zinc/03/83/32/176038332.db2.gz KRKDNPLUGKJMPR-UHFFFAOYSA-N 1 2 285.134 2.052 10 0 CEAELO CC[NH2+][C@](C)(COc1cc(F)ccc1F)C(=O)OCC ZINC000071168471 176049812 /nfs/dbraw/zinc/04/98/12/176049812.db2.gz QBJIJJSBXSHJFP-CQSZACIVSA-N 1 2 287.306 2.275 10 0 CEAELO C[C@@H]1CCC[C@H]1Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000071210679 176082757 /nfs/dbraw/zinc/08/27/57/176082757.db2.gz ARRMWZJGWNBXFM-RKDXNWHRSA-N 1 2 278.747 2.311 10 0 CEAELO COCCN(CCC(N)=S)c1cc(C)[nH+]c(C(C)C)n1 ZINC000071226335 176089840 /nfs/dbraw/zinc/08/98/40/176089840.db2.gz XDRSIDPRHQBDLE-UHFFFAOYSA-N 1 2 296.440 2.037 10 0 CEAELO Cn1cc[nH+]c1Cn1ccc2c1CC(C)(C)C[C@H]2O ZINC000071275874 176106620 /nfs/dbraw/zinc/10/66/20/176106620.db2.gz ULWLFMYAFQIHLE-CYBMUJFWSA-N 1 2 259.353 2.276 10 0 CEAELO Cn1cc[nH+]c1CNC(=O)c1cc2ccccc2cc1N ZINC000071276038 176106823 /nfs/dbraw/zinc/10/68/23/176106823.db2.gz NWCZSBJKMNQHLT-UHFFFAOYSA-N 1 2 280.331 2.086 10 0 CEAELO Cc1nc(C)c([C@H](C)Nc2c[nH+]ccc2C)c(=O)[nH]1 ZINC000071413863 176159026 /nfs/dbraw/zinc/15/90/26/176159026.db2.gz YJESZUVQOCOQLP-JTQLQIEISA-N 1 2 258.325 2.263 10 0 CEAELO CCc1[nH+]c2ccc(C(=O)NC[C@H]3CCCO3)cn2c1C ZINC000071540621 176195560 /nfs/dbraw/zinc/19/55/60/176195560.db2.gz ZKDUPDHODKTNHS-CYBMUJFWSA-N 1 2 287.363 2.114 10 0 CEAELO CCOC(=O)NCCc1ccc2c(c1)[nH+]c(C)n2C ZINC000075004841 176651758 /nfs/dbraw/zinc/65/17/58/176651758.db2.gz WQINNFVYMCQHED-UHFFFAOYSA-N 1 2 261.325 2.170 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCc1cccc(Cl)c1 ZINC000077369738 177259242 /nfs/dbraw/zinc/25/92/42/177259242.db2.gz LMNBVXRGIJHFOI-TXEJJXNPSA-N 1 2 296.798 2.065 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCc1cccc(Cl)c1 ZINC000077369738 177259244 /nfs/dbraw/zinc/25/92/44/177259244.db2.gz LMNBVXRGIJHFOI-TXEJJXNPSA-N 1 2 296.798 2.065 10 0 CEAELO CC(C)c1ccc(C(=O)N(C)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000074774603 419409548 /nfs/dbraw/zinc/40/95/48/419409548.db2.gz JJXCRFKVNFFXHH-INIZCTEOSA-N 1 2 290.407 2.213 10 0 CEAELO CC(C)c1ccc(C(=O)N(C)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000074774603 419409558 /nfs/dbraw/zinc/40/95/58/419409558.db2.gz JJXCRFKVNFFXHH-INIZCTEOSA-N 1 2 290.407 2.213 10 0 CEAELO Cc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2C)cc1Cl ZINC000194848695 270304315 /nfs/dbraw/zinc/30/43/15/270304315.db2.gz NPGNYXIXWKPBHF-LLVKDONJSA-N 1 2 266.772 2.359 10 0 CEAELO Cc1ccc(C[N@H+]2CCCNC(=O)[C@H]2C)cc1Cl ZINC000194848695 270304318 /nfs/dbraw/zinc/30/43/18/270304318.db2.gz NPGNYXIXWKPBHF-LLVKDONJSA-N 1 2 266.772 2.359 10 0 CEAELO Cn1c2ccccc2[nH+]c1N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398764508 270362823 /nfs/dbraw/zinc/36/28/23/270362823.db2.gz AANSYHDRJZRGQQ-AVGNSLFASA-N 1 2 271.364 2.171 10 0 CEAELO CC(C)(C)OC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114202490 278375260 /nfs/dbraw/zinc/37/52/60/278375260.db2.gz JTQAMRVPQLJKMF-LBPRGKRZSA-N 1 2 265.357 2.278 10 0 CEAELO CC(C)(C)OC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114202490 278375262 /nfs/dbraw/zinc/37/52/62/278375262.db2.gz JTQAMRVPQLJKMF-LBPRGKRZSA-N 1 2 265.357 2.278 10 0 CEAELO C[C@H]1CC[C@@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)O1 ZINC000132216633 279973279 /nfs/dbraw/zinc/97/32/79/279973279.db2.gz YSURATHIRGQMKP-FZMZJTMJSA-N 1 2 271.320 2.378 10 0 CEAELO O=C(c1ccc2[nH+]ccn2c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000057782676 280202754 /nfs/dbraw/zinc/20/27/54/280202754.db2.gz IBJYEVKDTQZDHT-UONOGXRCSA-N 1 2 285.347 2.118 10 0 CEAELO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000192571267 301372346 /nfs/dbraw/zinc/37/23/46/301372346.db2.gz ZJAWLNCUXTZXNG-DGCLKSJQSA-N 1 2 287.367 2.122 10 0 CEAELO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000192571267 301372350 /nfs/dbraw/zinc/37/23/50/301372350.db2.gz ZJAWLNCUXTZXNG-DGCLKSJQSA-N 1 2 287.367 2.122 10 0 CEAELO CC[NH+](CC)Cc1nc(N(C(C)C)C(C)C)n[nH]1 ZINC000536957768 330383644 /nfs/dbraw/zinc/38/36/44/330383644.db2.gz PRZFYBOBJPPVQB-UHFFFAOYSA-N 1 2 253.394 2.270 10 0 CEAELO CCC1=NN(c2cccc(F)c2)C(=O)[C@H]1CCC[NH3+] ZINC000069507023 519849662 /nfs/dbraw/zinc/84/96/62/519849662.db2.gz JIRAXNGCNRXWHB-LBPRGKRZSA-N 1 2 263.316 2.293 10 0 CEAELO CCC[NH2+][C@@](C[N@H+]1C[C@H](C)C[C@H](C)C1)(C(=O)[O-])C1CC1 ZINC000069091835 520052728 /nfs/dbraw/zinc/05/27/28/520052728.db2.gz GIILMNJHTCGUIK-DVOMOZLQSA-N 1 2 282.428 2.197 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+]1C[C@H](C)C[C@H](C)C1)(C(=O)[O-])C1CC1 ZINC000069091835 520052734 /nfs/dbraw/zinc/05/27/34/520052734.db2.gz GIILMNJHTCGUIK-DVOMOZLQSA-N 1 2 282.428 2.197 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+]1CCCC[C@@H]1CC)(C(=O)[O-])C1CC1 ZINC000069097268 520052750 /nfs/dbraw/zinc/05/27/50/520052750.db2.gz YLNVAKFIWZHLQM-GOEBONIOSA-N 1 2 282.428 2.484 10 0 CEAELO CCC[NH2+][C@@](C[N@H+]1CCCC[C@@H]1CC)(C(=O)[O-])C1CC1 ZINC000069097268 520052754 /nfs/dbraw/zinc/05/27/54/520052754.db2.gz YLNVAKFIWZHLQM-GOEBONIOSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@@H](c1nccn1C)c1cc(F)ccc1F ZINC000069474037 520114723 /nfs/dbraw/zinc/11/47/23/520114723.db2.gz ZQKSKRUDRVFZFO-GFCCVEGCSA-N 1 2 251.280 2.397 10 0 CEAELO CCC[NH2+][C@](C[N@H+]1C[C@H](C)C[C@H](C)C1)(C(=O)[O-])C1CC1 ZINC000069091832 520120811 /nfs/dbraw/zinc/12/08/11/520120811.db2.gz GIILMNJHTCGUIK-ZENOOKHLSA-N 1 2 282.428 2.197 10 0 CEAELO CCC[NH2+][C@](C[N@@H+]1C[C@H](C)C[C@H](C)C1)(C(=O)[O-])C1CC1 ZINC000069091832 520120817 /nfs/dbraw/zinc/12/08/17/520120817.db2.gz GIILMNJHTCGUIK-ZENOOKHLSA-N 1 2 282.428 2.197 10 0 CEAELO CC[NH2+][C@@](C)(COc1cccc(F)c1F)C(=O)OCC ZINC000062653623 520136687 /nfs/dbraw/zinc/13/66/87/520136687.db2.gz WNRIJCCCVIZOIJ-AWEZNQCLSA-N 1 2 287.306 2.275 10 0 CEAELO CC[NH2+][C@@](C[N@H+](C)CC1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069183898 520148819 /nfs/dbraw/zinc/14/88/19/520148819.db2.gz ZZBCDSYVNLHWGL-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CC[NH2+][C@@](C[N@@H+](C)CC1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069183898 520148833 /nfs/dbraw/zinc/14/88/33/520148833.db2.gz ZZBCDSYVNLHWGL-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)Sc1cc(C)nn1C)C(=O)OC ZINC000068640796 520243138 /nfs/dbraw/zinc/24/31/38/520243138.db2.gz WWHPUCJKZGDPLQ-SMDDNHRTSA-N 1 2 299.440 2.140 10 0 CEAELO CCNc1snnc1C[N@H+](CCOC)CC(C)C ZINC000050815102 520386965 /nfs/dbraw/zinc/38/69/65/520386965.db2.gz GUWKWKFFNUCYDV-UHFFFAOYSA-N 1 2 272.418 2.074 10 0 CEAELO CCNc1snnc1C[N@@H+](CCOC)CC(C)C ZINC000050815102 520386971 /nfs/dbraw/zinc/38/69/71/520386971.db2.gz GUWKWKFFNUCYDV-UHFFFAOYSA-N 1 2 272.418 2.074 10 0 CEAELO CC[N@H+](CC(C)C)C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069096827 520413105 /nfs/dbraw/zinc/41/31/05/520413105.db2.gz NDLMPDRWRAHHNA-HNNXBMFYSA-N 1 2 270.417 2.196 10 0 CEAELO CC[N@@H+](CC(C)C)C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069096827 520413110 /nfs/dbraw/zinc/41/31/10/520413110.db2.gz NDLMPDRWRAHHNA-HNNXBMFYSA-N 1 2 270.417 2.196 10 0 CEAELO CCOC(=O)[C@@](COC(C)(C)C)([NH2+]C1CC1)C1CC1 ZINC000069195679 521168002 /nfs/dbraw/zinc/16/80/02/521168002.db2.gz LEEFNASPRUAWIJ-HNNXBMFYSA-N 1 2 269.385 2.265 10 0 CEAELO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc([NH3+])cc1C(=O)[O-] ZINC000049561986 519775942 /nfs/dbraw/zinc/77/59/42/519775942.db2.gz FYDNSLBRKRFTNF-LBPRGKRZSA-N 1 2 279.384 2.355 10 0 CEAELO CC[NH2+]C(C)(C)C(=O)OCc1ccc(OC)cc1 ZINC000061172142 519908056 /nfs/dbraw/zinc/90/80/56/519908056.db2.gz YQNVQEFCVKAWJH-UHFFFAOYSA-N 1 2 251.326 2.127 10 0 CEAELO CCC[NH2+][C@@H](C(=O)OC)c1ccc2ncccc2c1 ZINC000069503321 519985356 /nfs/dbraw/zinc/98/53/56/519985356.db2.gz VAAGMIQLHRUMCF-CQSZACIVSA-N 1 2 258.321 2.449 10 0 CEAELO CCC[NH2+][C@@H](CCOc1ccc(C)cc1)C(=O)OC ZINC000062543578 520004748 /nfs/dbraw/zinc/00/47/48/520004748.db2.gz GFNVQEGAMASMOB-AWEZNQCLSA-N 1 2 265.353 2.305 10 0 CEAELO CC[NH2+][C@@H](CCN1CCCc2ccccc21)C(=O)OCC ZINC000062442586 520088359 /nfs/dbraw/zinc/08/83/59/520088359.db2.gz SJSTVKGLLJALCE-HNNXBMFYSA-N 1 2 290.407 2.371 10 0 CEAELO CCCNc1cc(CN2C(=O)CSC2=O)cc[nH+]1 ZINC000052732058 520134925 /nfs/dbraw/zinc/13/49/25/520134925.db2.gz AARRSBCEPJZKQF-UHFFFAOYSA-N 1 2 265.338 2.099 10 0 CEAELO CC1(C)CCC[N@H+](C[C@@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069516680 520329391 /nfs/dbraw/zinc/32/93/91/520329391.db2.gz LKXKTINKYCGRAC-INIZCTEOSA-N 1 2 280.412 2.094 10 0 CEAELO CC1(C)CCC[N@@H+](C[C@@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069516680 520329395 /nfs/dbraw/zinc/32/93/95/520329395.db2.gz LKXKTINKYCGRAC-INIZCTEOSA-N 1 2 280.412 2.094 10 0 CEAELO CCNc1ncccc1C[N@@H+]1CCCC[C@@H]1C(=O)OCC ZINC000052722131 520378438 /nfs/dbraw/zinc/37/84/38/520378438.db2.gz XRPBKQQZIFFFFA-CQSZACIVSA-N 1 2 291.395 2.431 10 0 CEAELO CCNc1ncccc1C[N@H+]1CCCC[C@@H]1C(=O)OCC ZINC000052722131 520378448 /nfs/dbraw/zinc/37/84/48/520378448.db2.gz XRPBKQQZIFFFFA-CQSZACIVSA-N 1 2 291.395 2.431 10 0 CEAELO CCCOc1ccc(OC[C@H]([NH2+]CC)C(=O)OCC)cc1 ZINC000045520253 520410700 /nfs/dbraw/zinc/41/07/00/520410700.db2.gz GWPXRMGBJUDVOV-HNNXBMFYSA-N 1 2 295.379 2.395 10 0 CEAELO CCCOc1ccccc1OCC[C@@H]([NH2+]C)C(=O)OC ZINC000062544615 520483313 /nfs/dbraw/zinc/48/33/13/520483313.db2.gz LQDTVWNEGJERKX-GFCCVEGCSA-N 1 2 281.352 2.005 10 0 CEAELO CCOC(=O)[C@@H](CCN(CC)c1ccccc1)[NH2+]C ZINC000062443682 521058510 /nfs/dbraw/zinc/05/85/10/521058510.db2.gz YPZIZSLMTWBLRO-CQSZACIVSA-N 1 2 264.369 2.054 10 0 CEAELO CCOC(=O)[C@@](C)(Cn1c(CC)nc2ccccc21)[NH2+]C ZINC000062807964 521153353 /nfs/dbraw/zinc/15/33/53/521153353.db2.gz DCMPUTQSLVQCQN-MRXNPFEDSA-N 1 2 289.379 2.140 10 0 CEAELO CCN(CC[C@@H]([NH2+]C1CC1)C(=O)OC)c1ccc(F)cc1 ZINC000062530510 521157555 /nfs/dbraw/zinc/15/75/55/521157555.db2.gz NJDYMPDKBMQHOE-OAHLLOKOSA-N 1 2 294.370 2.336 10 0 CEAELO CCOC(=O)[C@@](COc1cc(F)cc(F)c1)([NH2+]C)C1CC1 ZINC000069198593 521170035 /nfs/dbraw/zinc/17/00/35/521170035.db2.gz SDZWDWYYADMNKV-HNNXBMFYSA-N 1 2 299.317 2.275 10 0 CEAELO CCN(C[C@@]([NH2+]C)(C(=O)OC)C1CC1)c1ccccc1F ZINC000069231528 521234900 /nfs/dbraw/zinc/23/49/00/521234900.db2.gz OSLXPDZKYOFEOP-INIZCTEOSA-N 1 2 294.370 2.193 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccc(C)c(C)c1)[NH2+]C ZINC000062549442 521246627 /nfs/dbraw/zinc/24/66/27/521246627.db2.gz PVAQLUXDUDUGKQ-AWEZNQCLSA-N 1 2 265.353 2.223 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccc(C)cc1)[NH2+]C1CC1 ZINC000062543609 521248224 /nfs/dbraw/zinc/24/82/24/521248224.db2.gz RMSVGOKWOUUKES-HNNXBMFYSA-N 1 2 277.364 2.448 10 0 CEAELO CCOC(=O)[C@](COc1cccc(F)c1)([NH2+]C)C1CC1 ZINC000069197691 521342008 /nfs/dbraw/zinc/34/20/08/521342008.db2.gz NCXDWTGDVBZERS-OAHLLOKOSA-N 1 2 281.327 2.136 10 0 CEAELO COc1cc(-c2nc(N)cc(C)[nH+]2)cc(OC)c1OC ZINC000050866337 521904706 /nfs/dbraw/zinc/90/47/06/521904706.db2.gz SPWJFUBYQYIUQR-UHFFFAOYSA-N 1 2 275.308 2.060 10 0 CEAELO CCc1[nH+]c2ccccc2n1C[C@@]([NH2+]C)(C(=O)[O-])C1CC1 ZINC000069194039 522504351 /nfs/dbraw/zinc/50/43/51/522504351.db2.gz OECVKEIMZZZYNJ-INIZCTEOSA-N 1 2 287.363 2.052 10 0 CEAELO CCc1nc2ccccc2n1C[C@H]([NH2+]C(C)C)C(=O)OC ZINC000062808075 522505422 /nfs/dbraw/zinc/50/54/22/522505422.db2.gz RGPUYFPGGZDWBQ-ZDUSSCGKSA-N 1 2 289.379 2.138 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)n1ncc2ccccc21)C(=O)OC ZINC000068649709 522525015 /nfs/dbraw/zinc/52/50/15/522525015.db2.gz OYFJAXZIQZOTNM-XHDPSFHLSA-N 1 2 275.352 2.139 10 0 CEAELO CNc1[nH+]cccc1Cn1cc(Br)ccc1=O ZINC000052732654 522711128 /nfs/dbraw/zinc/71/11/28/522711128.db2.gz RZFUBIHROGTGJS-UHFFFAOYSA-N 1 2 294.152 2.096 10 0 CEAELO COc1cc(OC)c([C@@H]2[NH2+]CCS2)c(OC)c1 ZINC000050522884 522832123 /nfs/dbraw/zinc/83/21/23/522832123.db2.gz NZIGRQYHMVHQCW-GFCCVEGCSA-N 1 2 255.339 2.047 10 0 CEAELO CC[C@@H]1CCCC[N@@H+]1C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069097269 523176765 /nfs/dbraw/zinc/17/67/65/523176765.db2.gz RAANWYUHZPERKG-GDBMZVCRSA-N 1 2 282.428 2.482 10 0 CEAELO CC[C@@H]1CCCC[N@H+]1C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069097269 523176773 /nfs/dbraw/zinc/17/67/73/523176773.db2.gz RAANWYUHZPERKG-GDBMZVCRSA-N 1 2 282.428 2.482 10 0 CEAELO CN(Cc1cccc(F)c1)c1cc[nH+]c(C(N)=S)c1 ZINC000061812375 523314949 /nfs/dbraw/zinc/31/49/49/523314949.db2.gz XURLRNNKAIBRPR-UHFFFAOYSA-N 1 2 275.352 2.491 10 0 CEAELO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nc(N)ccc1Cl ZINC000061638802 523350338 /nfs/dbraw/zinc/35/03/38/523350338.db2.gz IDELXNHXOSQTBQ-ZJUUUORDSA-N 1 2 269.776 2.317 10 0 CEAELO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nc(N)ccc1Cl ZINC000061638802 523350346 /nfs/dbraw/zinc/35/03/46/523350346.db2.gz IDELXNHXOSQTBQ-ZJUUUORDSA-N 1 2 269.776 2.317 10 0 CEAELO CCn1cc[nH+]c1CN1C(=O)C(=O)c2cc(Cl)ccc21 ZINC000054743654 523529716 /nfs/dbraw/zinc/52/97/16/523529716.db2.gz BEVIVXHUEBIMII-UHFFFAOYSA-N 1 2 289.722 2.286 10 0 CEAELO CCn1cc[nH+]c1CN1CCCc2c(N)cccc21 ZINC000054743820 523533857 /nfs/dbraw/zinc/53/38/57/523533857.db2.gz NUEDNGCRLBGSEK-UHFFFAOYSA-N 1 2 256.353 2.438 10 0 CEAELO COC(=O)[C@@H](CSc1ccc(OC)cc1)[NH2+]C(C)C ZINC000045581197 523591210 /nfs/dbraw/zinc/59/12/10/523591210.db2.gz MYWRJZXBMJIROO-CYBMUJFWSA-N 1 2 283.393 2.327 10 0 CEAELO COC(=O)[C@@H]([NH2+]CCC(=O)c1ccc(OC)cc1)C(C)C ZINC000062709728 523627243 /nfs/dbraw/zinc/62/72/43/523627243.db2.gz CUXFOFZFMNEZGC-HNNXBMFYSA-N 1 2 293.363 2.055 10 0 CEAELO C[NH+]1CCN(c2nc(-c3ccccc3)c(C=O)s2)CC1 ZINC000054966991 523928098 /nfs/dbraw/zinc/92/80/98/523928098.db2.gz BQHBRBBVXRWZKG-UHFFFAOYSA-N 1 2 287.388 2.374 10 0 CEAELO CN(C)C(=O)c1cc(NCc2[nH]cc[nH+]2)ccc1Cl ZINC000049715122 524019381 /nfs/dbraw/zinc/01/93/81/524019381.db2.gz MXEWYWRAFDPUOV-UHFFFAOYSA-N 1 2 278.743 2.377 10 0 CEAELO C[C@H]1CCC[N@H+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069233198 524091494 /nfs/dbraw/zinc/09/14/94/524091494.db2.gz LKMJFGMTNSQKSB-BLLLJJGKSA-N 1 2 280.412 2.094 10 0 CEAELO C[C@H]1CCC[N@@H+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069233198 524091498 /nfs/dbraw/zinc/09/14/98/524091498.db2.gz LKMJFGMTNSQKSB-BLLLJJGKSA-N 1 2 280.412 2.094 10 0 CEAELO Cc1ccc(C)c(CC(=O)Nc2cc[nH+]cc2N)c1 ZINC000062725810 524095304 /nfs/dbraw/zinc/09/53/04/524095304.db2.gz DOQQWKULUXTDRE-UHFFFAOYSA-N 1 2 255.321 2.462 10 0 CEAELO COc1ccccc1CN(C)c1cc[nH+]c(C(N)=S)c1 ZINC000061812767 524437702 /nfs/dbraw/zinc/43/77/02/524437702.db2.gz OZFOAXKOWCDOGB-UHFFFAOYSA-N 1 2 287.388 2.361 10 0 CEAELO COc1nc(Cl)nc(Nc2ccc([NH+](C)C)cc2)n1 ZINC000061514906 524973707 /nfs/dbraw/zinc/97/37/07/524973707.db2.gz GIUNPMBOLLYFAJ-UHFFFAOYSA-N 1 2 279.731 2.343 10 0 CEAELO COc1ccc([C@@H](C)[NH2+]Cc2cnc[nH]2)c(OC)c1 ZINC000054764195 525155158 /nfs/dbraw/zinc/15/51/58/525155158.db2.gz AYUFAYPBOQMVDH-SNVBAGLBSA-N 1 2 261.325 2.278 10 0 CEAELO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)nc(Cl)n1 ZINC000052814635 525289834 /nfs/dbraw/zinc/28/98/34/525289834.db2.gz RXVXJCIUNNDWSR-VIFPVBQESA-N 1 2 251.721 2.136 10 0 CEAELO Cc1cc(SCc2[nH]c3ccc(N)cc3[nH+]2)n(C)n1 ZINC000052308613 525439579 /nfs/dbraw/zinc/43/95/79/525439579.db2.gz VRXANCFGVNYSGD-UHFFFAOYSA-N 1 2 273.365 2.479 10 0 CEAELO Cc1cc2[nH+]cn([C@@H](C)C[C@@](C)([NH3+])C(=O)[O-])c2cc1C ZINC000068648747 525686939 /nfs/dbraw/zinc/68/69/39/525686939.db2.gz KMHICYVYVUJVHC-XHDPSFHLSA-N 1 2 275.352 2.406 10 0 CEAELO COc1cccc(N(C)c2cc[nH+]c(C(N)=S)c2)c1 ZINC000061813254 526131265 /nfs/dbraw/zinc/13/12/65/526131265.db2.gz AIDMSFKZUZGFTP-UHFFFAOYSA-N 1 2 273.361 2.492 10 0 CEAELO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CO)C2)c(C)s1 ZINC000049136962 526205780 /nfs/dbraw/zinc/20/57/80/526205780.db2.gz XBBXRQSEUXKYFP-LBPRGKRZSA-N 1 2 267.394 2.252 10 0 CEAELO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CO)C2)c(C)s1 ZINC000049136962 526205791 /nfs/dbraw/zinc/20/57/91/526205791.db2.gz XBBXRQSEUXKYFP-LBPRGKRZSA-N 1 2 267.394 2.252 10 0 CEAELO Clc1nc(-n2cc[nH+]c2)nc(-n2cnc3ccccc32)n1 ZINC000061542940 527002390 /nfs/dbraw/zinc/00/23/90/527002390.db2.gz XMUTVNJSTVKZEK-UHFFFAOYSA-N 1 2 297.709 2.050 10 0 CEAELO NC(=S)c1cc(N2CCc3sccc3C2)cc[nH+]1 ZINC000061811853 527115813 /nfs/dbraw/zinc/11/58/13/527115813.db2.gz UEASLJBMQXBWSL-UHFFFAOYSA-N 1 2 275.402 2.340 10 0 CEAELO NC(=S)c1cc(NCCOc2ccccc2)cc[nH+]1 ZINC000061813166 527116615 /nfs/dbraw/zinc/11/66/15/527116615.db2.gz ZFGKBLIVXMAGRB-UHFFFAOYSA-N 1 2 273.361 2.207 10 0 CEAELO NNc1[nH+]c(C(=O)Nc2nccs2)cc2ccccc21 ZINC000051095314 527285594 /nfs/dbraw/zinc/28/55/94/527285594.db2.gz OSZLISBKQULIGO-UHFFFAOYSA-N 1 2 285.332 2.229 10 0 CEAELO [NH3+][C@H](c1occc1Br)c1ccccn1 ZINC000068982236 527392256 /nfs/dbraw/zinc/39/22/56/527392256.db2.gz CRTCHBUYZFZAJM-VIFPVBQESA-N 1 2 253.099 2.485 10 0 CEAELO C[C@@H]1C[N@H+](C)C[C@H](c2nnc(C3=CCCCC3)o2)O1 ZINC000888078873 624706836 /nfs/dbraw/zinc/70/68/36/624706836.db2.gz DZBKBWXBNSRQEH-ZYHUDNBSSA-N 1 2 263.341 2.419 10 0 CEAELO C[C@@H]1C[N@@H+](C)C[C@H](c2nnc(C3=CCCCC3)o2)O1 ZINC000888078873 624706841 /nfs/dbraw/zinc/70/68/41/624706841.db2.gz DZBKBWXBNSRQEH-ZYHUDNBSSA-N 1 2 263.341 2.419 10 0 CEAELO C[C@@H]1CC[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC000178169866 625959157 /nfs/dbraw/zinc/95/91/57/625959157.db2.gz ASTZIOCCVDFVDJ-IUODEOHRSA-N 1 2 285.347 2.056 10 0 CEAELO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCOC1 ZINC000181182474 641520063 /nfs/dbraw/zinc/52/00/63/641520063.db2.gz KIPVRHJGFOJTBZ-OCCSQVGLSA-N 1 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WCTAZVMQMWOYLT-SUZMYJTESA-N 1 2 252.383 2.451 10 0 CEAELO Cc1nc(C[N@@H+]2CC[C@H]3C[C@@H](C)O[C@@H]3C2)cs1 ZINC000096046232 185071847 /nfs/dbraw/zinc/07/18/47/185071847.db2.gz WCTAZVMQMWOYLT-SUZMYJTESA-N 1 2 252.383 2.451 10 0 CEAELO O=S1(=O)CC[C@@H](CNc2ccc3ccccc3[nH+]2)C1 ZINC000037982191 361970350 /nfs/dbraw/zinc/97/03/50/361970350.db2.gz YNWGTALDGQWAAF-NSHDSACASA-N 1 2 276.361 2.081 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCc1ccccc1)C2 ZINC000220586864 539258693 /nfs/dbraw/zinc/25/86/93/539258693.db2.gz KICIOAQLFYTPTB-CQSZACIVSA-N 1 2 283.375 2.182 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCc1ccccc1)CC2 ZINC000220586864 539258694 /nfs/dbraw/zinc/25/86/94/539258694.db2.gz KICIOAQLFYTPTB-CQSZACIVSA-N 1 2 283.375 2.182 10 0 CEAELO [NH3+][C@H](c1ncon1)c1cc(Br)ccc1F ZINC000036761991 343424435 /nfs/dbraw/zinc/42/44/35/343424435.db2.gz PIYYXBLQIWPZLE-QMMMGPOBSA-N 1 2 272.077 2.019 10 0 CEAELO Cc1cc(N[C@@H]2CCN(C)C2=O)c2cccc(F)c2[nH+]1 ZINC000126937067 187271667 /nfs/dbraw/zinc/27/16/67/187271667.db2.gz KOEKEEQQDDSLEI-GFCCVEGCSA-N 1 2 273.311 2.325 10 0 CEAELO C[C@H](CCC(C)(C)C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000131426403 344357827 /nfs/dbraw/zinc/35/78/27/344357827.db2.gz LOMNRZOHQZGMOJ-KGLIPLIRSA-N 1 2 299.459 2.221 10 0 CEAELO CCOC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000165046619 344473259 /nfs/dbraw/zinc/47/32/59/344473259.db2.gz IAPUXNJSIHXSOE-LBPRGKRZSA-N 1 2 268.744 2.443 10 0 CEAELO C[C@H](c1ccccc1F)[N@@H+]1CCO[C@@H](c2nncn2C)C1 ZINC000328634084 344757238 /nfs/dbraw/zinc/75/72/38/344757238.db2.gz MMJWVYFAZQUUSN-BXUZGUMPSA-N 1 2 290.342 2.089 10 0 CEAELO C[C@H](c1ccccc1F)[N@H+]1CCO[C@@H](c2nncn2C)C1 ZINC000328634084 344757241 /nfs/dbraw/zinc/75/72/41/344757241.db2.gz MMJWVYFAZQUUSN-BXUZGUMPSA-N 1 2 290.342 2.089 10 0 CEAELO CCC[NH2+][C@@H](COc1cc(C)ccc1F)C(=O)OCC ZINC000085560413 179093996 /nfs/dbraw/zinc/09/39/96/179093996.db2.gz MCDSZAYILQWYTO-ZDUSSCGKSA-N 1 2 283.343 2.444 10 0 CEAELO COC(=O)[C@@H](NC1=[NH+]C[C@@H](C)CS1)c1ccccc1 ZINC000086633239 179314941 /nfs/dbraw/zinc/31/49/41/179314941.db2.gz ZLHUAGJEDIKLOP-PWSUYJOCSA-N 1 2 278.377 2.229 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)Cc1nc(C)c(C)s1 ZINC000086969385 179370488 /nfs/dbraw/zinc/37/04/88/179370488.db2.gz HZISGWOLZSYEJF-GOSISDBHSA-N 1 2 283.422 2.425 10 0 CEAELO CC(C)(C)OC(=O)N1CCCO[C@@H](c2c[nH]c[nH+]2)C1 ZINC000616652354 348548507 /nfs/dbraw/zinc/54/85/07/348548507.db2.gz VXIAWXVJIJRHAK-LLVKDONJSA-N 1 2 267.329 2.108 10 0 CEAELO COC(=O)N1C[C@@H](c2cc[nH+]c(N)c2)Nc2ccccc21 ZINC000616686805 348560922 /nfs/dbraw/zinc/56/09/22/348560922.db2.gz QVJMAVLRVSAZNN-LBPRGKRZSA-N 1 2 284.319 2.234 10 0 CEAELO CCCn1c[nH+]cc1[C@@H](O)c1cc(OC)ccc1OC ZINC000090206965 179932942 /nfs/dbraw/zinc/93/29/42/179932942.db2.gz BJRRJLDCPFTZJH-HNNXBMFYSA-N 1 2 276.336 2.392 10 0 CEAELO CCOC(=O)[C@H](CCO[C@@H](C)C(F)(F)F)[NH2+]C(C)C ZINC000090674329 180021534 /nfs/dbraw/zinc/02/15/34/180021534.db2.gz WCOJBUGLZYQRFA-UWVGGRQHSA-N 1 2 285.306 2.274 10 0 CEAELO COC(=O)c1cc(N[C@H](C)c2nccs2)cc[nH+]1 ZINC000090738375 180034918 /nfs/dbraw/zinc/03/49/18/180034918.db2.gz RQGSQOOQQOAGJV-MRVPVSSYSA-N 1 2 263.322 2.498 10 0 CEAELO COc1cc(-n2cc[nH+]c2-c2ccc(N)cc2)nc(C)n1 ZINC000090787201 180040865 /nfs/dbraw/zinc/04/08/65/180040865.db2.gz BPEBMQKCQVZUMR-UHFFFAOYSA-N 1 2 281.319 2.229 10 0 CEAELO CCC[N@@H+](CC(=O)OCC)C[C@@H]1Cc2ccccc2O1 ZINC000090876764 180052342 /nfs/dbraw/zinc/05/23/42/180052342.db2.gz IBACLRNBGCLZGJ-AWEZNQCLSA-N 1 2 277.364 2.265 10 0 CEAELO CCC[N@H+](CC(=O)OCC)C[C@@H]1Cc2ccccc2O1 ZINC000090876764 180052343 /nfs/dbraw/zinc/05/23/43/180052343.db2.gz IBACLRNBGCLZGJ-AWEZNQCLSA-N 1 2 277.364 2.265 10 0 CEAELO COC(=O)C[N@H+](C[C@H]1Cc2cc(C)ccc2O1)C(C)C ZINC000090900813 180059337 /nfs/dbraw/zinc/05/93/37/180059337.db2.gz VVMNLMGRPGJZFL-CQSZACIVSA-N 1 2 277.364 2.182 10 0 CEAELO COC(=O)C[N@@H+](C[C@H]1Cc2cc(C)ccc2O1)C(C)C ZINC000090900813 180059341 /nfs/dbraw/zinc/05/93/41/180059341.db2.gz VVMNLMGRPGJZFL-CQSZACIVSA-N 1 2 277.364 2.182 10 0 CEAELO Nc1cccc(Br)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905598 180059917 /nfs/dbraw/zinc/05/99/17/180059917.db2.gz UQTPLBGGIASOCH-AOOOYVTPSA-N 1 2 297.196 2.395 10 0 CEAELO Nc1cccc(Br)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905598 180059918 /nfs/dbraw/zinc/05/99/18/180059918.db2.gz UQTPLBGGIASOCH-AOOOYVTPSA-N 1 2 297.196 2.395 10 0 CEAELO Nc1ccc2c(c1)[nH+]c(CO)n2C[C@H]1Cc2ccccc21 ZINC000090993278 180081985 /nfs/dbraw/zinc/08/19/85/180081985.db2.gz YTERRNPLRQYHQY-GFCCVEGCSA-N 1 2 279.343 2.451 10 0 CEAELO CC[C@@H](C)[C@H]([NH2+]Cc1ccn(CC)c1)C(=O)OC ZINC000091011634 180086262 /nfs/dbraw/zinc/08/62/62/180086262.db2.gz LUXFOEOEFWBUER-YPMHNXCESA-N 1 2 252.358 2.185 10 0 CEAELO CCOC(=O)[C@](C)(CCS[C@H](C)CCO)[NH2+]C(C)C ZINC000091267411 180117003 /nfs/dbraw/zinc/11/70/03/180117003.db2.gz KEZKKPJFUHGHBZ-OCCSQVGLSA-N 1 2 291.457 2.200 10 0 CEAELO CCOC(=O)[C@@](C)(CCS[C@@H](C)CCO)[NH2+]C(C)C ZINC000091267402 180117329 /nfs/dbraw/zinc/11/73/29/180117329.db2.gz KEZKKPJFUHGHBZ-GXTWGEPZSA-N 1 2 291.457 2.200 10 0 CEAELO CC(C)n1c[nH+]cc1[C@@H](Nc1cccc(F)c1)C(N)=O ZINC000091272594 180118231 /nfs/dbraw/zinc/11/82/31/180118231.db2.gz QURRLRMNBPMZFU-CYBMUJFWSA-N 1 2 276.315 2.242 10 0 CEAELO COc1ccc(N[C@@H](C(N)=O)c2c[nH+]cn2C(C)C)cc1 ZINC000091272560 180118239 /nfs/dbraw/zinc/11/82/39/180118239.db2.gz PRYOILOIZAMDTM-CQSZACIVSA-N 1 2 288.351 2.111 10 0 CEAELO Nc1c(-c2cncn2C2CC2)[nH+]c(C2CCCC2)n1N ZINC000091275016 180118613 /nfs/dbraw/zinc/11/86/13/180118613.db2.gz XFRPFNGNYIRJAP-UHFFFAOYSA-N 1 2 272.356 2.035 10 0 CEAELO CCOC(=O)[C@H](N[C@H](C)CC)c1c[nH+]cn1C1CC1 ZINC000091276970 180120401 /nfs/dbraw/zinc/12/04/01/180120401.db2.gz DYMUGPFSRFEGDA-ZWNOBZJWSA-N 1 2 265.357 2.210 10 0 CEAELO OCC1C[NH+](CCOc2c(Cl)cccc2Cl)C1 ZINC000091477968 180166088 /nfs/dbraw/zinc/16/60/88/180166088.db2.gz CDIBWPAPRADMAP-UHFFFAOYSA-N 1 2 276.163 2.296 10 0 CEAELO CC(C)([C@H](O)c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000091565733 180193324 /nfs/dbraw/zinc/19/33/24/180193324.db2.gz GHAZFMWEYQYBJC-CYBMUJFWSA-N 1 2 271.307 2.109 10 0 CEAELO CCn1c[nH+]cc1[C@H](CO)Nc1cc(C)cc(F)c1 ZINC000091517689 180177432 /nfs/dbraw/zinc/17/74/32/180177432.db2.gz PSZFYPYCFQTLLQ-ZDUSSCGKSA-N 1 2 263.316 2.496 10 0 CEAELO CC(C)c1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000105280018 186050088 /nfs/dbraw/zinc/05/00/88/186050088.db2.gz CDMGMWVLGZEGEM-OAHLLOKOSA-N 1 2 291.395 2.262 10 0 CEAELO CC(C)c1cccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000105280018 186050089 /nfs/dbraw/zinc/05/00/89/186050089.db2.gz CDMGMWVLGZEGEM-OAHLLOKOSA-N 1 2 291.395 2.262 10 0 CEAELO CC[C@@H]1COCC[N@@H+]1[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091780679 180252787 /nfs/dbraw/zinc/25/27/87/180252787.db2.gz RGQJTCJCJQCETG-WDEREUQCSA-N 1 2 267.325 2.238 10 0 CEAELO CC[C@@H]1COCC[N@H+]1[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091780679 180252788 /nfs/dbraw/zinc/25/27/88/180252788.db2.gz RGQJTCJCJQCETG-WDEREUQCSA-N 1 2 267.325 2.238 10 0 CEAELO CCNc1cc(C(C)(C)C)nc([C@H]2C[N@H+](C)CCO2)n1 ZINC000091722770 180242314 /nfs/dbraw/zinc/24/23/14/180242314.db2.gz PHELDIUQCJKMJV-LLVKDONJSA-N 1 2 278.400 2.209 10 0 CEAELO CCNc1cc(C(C)(C)C)nc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000091722770 180242315 /nfs/dbraw/zinc/24/23/15/180242315.db2.gz PHELDIUQCJKMJV-LLVKDONJSA-N 1 2 278.400 2.209 10 0 CEAELO CC[C@@H]([NH3+])c1ccn(Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000091816182 180262274 /nfs/dbraw/zinc/26/22/74/180262274.db2.gz UJMXNJQCHRFGCO-SNVBAGLBSA-N 1 2 288.376 2.244 10 0 CEAELO CC[N@@H+]1CCO[C@@H](COc2cc(C)ccc2C(C)=O)C1 ZINC000092056659 180313953 /nfs/dbraw/zinc/31/39/53/180313953.db2.gz WWCXPUZZDQOICP-CQSZACIVSA-N 1 2 277.364 2.297 10 0 CEAELO CC[N@H+]1CCO[C@@H](COc2cc(C)ccc2C(C)=O)C1 ZINC000092056659 180313956 /nfs/dbraw/zinc/31/39/56/180313956.db2.gz WWCXPUZZDQOICP-CQSZACIVSA-N 1 2 277.364 2.297 10 0 CEAELO Clc1cccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105888112 186084281 /nfs/dbraw/zinc/08/42/81/186084281.db2.gz PXOUSYBPLWHCSQ-OAHLLOKOSA-N 1 2 291.782 2.438 10 0 CEAELO Clc1cccc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105888112 186084282 /nfs/dbraw/zinc/08/42/82/186084282.db2.gz PXOUSYBPLWHCSQ-OAHLLOKOSA-N 1 2 291.782 2.438 10 0 CEAELO c1coc(-c2cc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)no2)c1 ZINC000105923215 186090755 /nfs/dbraw/zinc/09/07/55/186090755.db2.gz LXDVRGDCZKDUIR-CYBMUJFWSA-N 1 2 299.334 2.363 10 0 CEAELO c1coc(-c2cc(C[N@H+]3CCC[C@@H](n4cncn4)C3)no2)c1 ZINC000105923215 186090757 /nfs/dbraw/zinc/09/07/57/186090757.db2.gz LXDVRGDCZKDUIR-CYBMUJFWSA-N 1 2 299.334 2.363 10 0 CEAELO CCNc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000092368849 180369907 /nfs/dbraw/zinc/36/99/07/180369907.db2.gz HAFMPVSJZKHKCZ-UONOGXRCSA-N 1 2 261.369 2.267 10 0 CEAELO CCNc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000092368849 180369909 /nfs/dbraw/zinc/36/99/09/180369909.db2.gz HAFMPVSJZKHKCZ-UONOGXRCSA-N 1 2 261.369 2.267 10 0 CEAELO CCNc1cccc(CN2CCO[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000092368849 180369910 /nfs/dbraw/zinc/36/99/10/180369910.db2.gz HAFMPVSJZKHKCZ-UONOGXRCSA-N 1 2 261.369 2.267 10 0 CEAELO Nc1cccc(Cn2c(=O)ccc3ccccc32)[nH+]1 ZINC000092372358 180370772 /nfs/dbraw/zinc/37/07/72/180370772.db2.gz OQOWLSBAZMQHDW-UHFFFAOYSA-N 1 2 251.289 2.027 10 0 CEAELO Clc1ccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000105888718 186084544 /nfs/dbraw/zinc/08/45/44/186084544.db2.gz PMYUCMOXUHTJQQ-HNNXBMFYSA-N 1 2 291.782 2.438 10 0 CEAELO Clc1ccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000105888718 186084545 /nfs/dbraw/zinc/08/45/45/186084545.db2.gz PMYUCMOXUHTJQQ-HNNXBMFYSA-N 1 2 291.782 2.438 10 0 CEAELO NNc1cc[nH+]c(CN2c3ccccc3CCCC2=O)c1 ZINC000092425449 180383261 /nfs/dbraw/zinc/38/32/61/180383261.db2.gz YTCVTCWFLUUVNJ-UHFFFAOYSA-N 1 2 282.347 2.237 10 0 CEAELO C[C@@H](Nc1cc(N)[nH+]c(N)n1)c1ccccc1Cl ZINC000110389667 186294484 /nfs/dbraw/zinc/29/44/84/186294484.db2.gz MWNMTDMCZINNNT-SSDOTTSWSA-N 1 2 263.732 2.468 10 0 CEAELO C[C@@H](Nc1cc(N)nc(N)[nH+]1)c1ccccc1Cl ZINC000110389667 186294485 /nfs/dbraw/zinc/29/44/85/186294485.db2.gz MWNMTDMCZINNNT-SSDOTTSWSA-N 1 2 263.732 2.468 10 0 CEAELO CC(C)[NH2+]Cc1noc([C@@H]2COc3ccccc3C2)n1 ZINC000110540986 186302510 /nfs/dbraw/zinc/30/25/10/186302510.db2.gz CFEJFXCPDXWCMG-LBPRGKRZSA-N 1 2 273.336 2.286 10 0 CEAELO C[NH2+][C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000110830397 186327873 /nfs/dbraw/zinc/32/78/73/186327873.db2.gz LKJBHBLDUUXOCM-CYBMUJFWSA-N 1 2 298.180 2.069 10 0 CEAELO Cc1c[nH+]ccc1NS(=O)(=O)c1c(F)cc(N)cc1F ZINC000111043139 186347660 /nfs/dbraw/zinc/34/76/60/186347660.db2.gz LWJCMCSUMBFPSS-UHFFFAOYSA-N 1 2 299.302 2.051 10 0 CEAELO CCc1nc([C@H]2C[N@H+](C[C@H]3CC=CCC3)CCO2)n[nH]1 ZINC000156704148 188277703 /nfs/dbraw/zinc/27/77/03/188277703.db2.gz MJZOELYIGNAQLI-QWHCGFSZSA-N 1 2 276.384 2.097 10 0 CEAELO CCc1nc([C@H]2C[N@@H+](C[C@H]3CC=CCC3)CCO2)n[nH]1 ZINC000156704148 188277704 /nfs/dbraw/zinc/27/77/04/188277704.db2.gz MJZOELYIGNAQLI-QWHCGFSZSA-N 1 2 276.384 2.097 10 0 CEAELO CC[C@@H](CC1CCCC1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000074692492 363371130 /nfs/dbraw/zinc/37/11/30/363371130.db2.gz KVLDFKDYCHLGAL-HOCLYGCPSA-N 1 2 296.455 2.430 10 0 CEAELO Cc1ccc(C(=O)N2CCn3cc[nH+]c3C2)cc1C ZINC000074785032 363390675 /nfs/dbraw/zinc/39/06/75/363390675.db2.gz PLGPKUOYKCKARA-UHFFFAOYSA-N 1 2 255.321 2.156 10 0 CEAELO CC(=O)c1ccccc1OCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000172668000 188820547 /nfs/dbraw/zinc/82/05/47/188820547.db2.gz WKMQROHEOLCQLH-STQMWFEESA-N 1 2 277.364 2.377 10 0 CEAELO C[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)c1ccncc1F ZINC000328830049 202075707 /nfs/dbraw/zinc/07/57/07/202075707.db2.gz UURFINGHWHWFFV-SNVBAGLBSA-N 1 2 287.342 2.172 10 0 CEAELO C[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1ccncc1F ZINC000328830049 202075709 /nfs/dbraw/zinc/07/57/09/202075709.db2.gz UURFINGHWHWFFV-SNVBAGLBSA-N 1 2 287.342 2.172 10 0 CEAELO C[C@H](NC(=O)[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000134774911 366358788 /nfs/dbraw/zinc/35/87/88/366358788.db2.gz YELPXVVANRYUNG-WFASDCNBSA-N 1 2 285.347 2.229 10 0 CEAELO Cn1ncc([C@H]2[NH2+]CCc3ccoc32)c1Br ZINC000712428119 538744626 /nfs/dbraw/zinc/74/46/26/538744626.db2.gz VDXFSJVFXGIPOR-SECBINFHSA-N 1 2 282.141 2.011 10 0 CEAELO O=C(C[C@H]1CCCCNC1=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329401779 202319742 /nfs/dbraw/zinc/31/97/42/202319742.db2.gz YHHUSASDXVMNMK-NEPJUHHUSA-N 1 2 290.367 2.220 10 0 CEAELO Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000177766782 189068246 /nfs/dbraw/zinc/06/82/46/189068246.db2.gz FIXOLZSNOWUDLP-GFCCVEGCSA-N 1 2 259.309 2.089 10 0 CEAELO CCOC(=O)[C@@H](C)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180662421 189268471 /nfs/dbraw/zinc/26/84/71/189268471.db2.gz ZBLVQLXQWQYJFY-QWHCGFSZSA-N 1 2 287.363 2.475 10 0 CEAELO Cc1cc(NCCn2ccnn2)c2cccc(F)c2[nH+]1 ZINC000302150965 201368934 /nfs/dbraw/zinc/36/89/34/201368934.db2.gz HPRIULRVAKNJMJ-UHFFFAOYSA-N 1 2 271.299 2.386 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)c1ccccc1F ZINC000084428739 363809641 /nfs/dbraw/zinc/80/96/41/363809641.db2.gz TVQNKMPMHNAQDD-QGZVFWFLSA-N 1 2 252.314 2.350 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)c1ccc(F)cc1 ZINC000084429210 363810159 /nfs/dbraw/zinc/81/01/59/363810159.db2.gz ASKRCDKHUHKMQH-UHFFFAOYSA-N 1 2 268.313 2.016 10 0 CEAELO COC(=O)c1ccc(C[N@H+]2[C@H](C)COC[C@@H]2C)cc1F ZINC000089129571 363934791 /nfs/dbraw/zinc/93/47/91/363934791.db2.gz LHCBOZPICDHSAF-PHIMTYICSA-N 1 2 281.327 2.222 10 0 CEAELO COC(=O)c1ccc(C[N@@H+]2[C@H](C)COC[C@@H]2C)cc1F ZINC000089129571 363934794 /nfs/dbraw/zinc/93/47/94/363934794.db2.gz LHCBOZPICDHSAF-PHIMTYICSA-N 1 2 281.327 2.222 10 0 CEAELO CC(C)[C@@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103297560 364641046 /nfs/dbraw/zinc/64/10/46/364641046.db2.gz WFKWSGHUQGRWEP-GFCCVEGCSA-N 1 2 264.373 2.274 10 0 CEAELO Cc1ocnc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112669233 364825660 /nfs/dbraw/zinc/82/56/60/364825660.db2.gz PAHRBLLTGYPMBO-UHFFFAOYSA-N 1 2 288.351 2.038 10 0 CEAELO Cc1ncc(C[NH+]2CCN(Cc3cccn3C)CC2)s1 ZINC000120458990 365427880 /nfs/dbraw/zinc/42/78/80/365427880.db2.gz BOBXYGPGVRLANL-UHFFFAOYSA-N 1 2 290.436 2.108 10 0 CEAELO Cc1ncc(CN2CC[NH+](Cc3cccn3C)CC2)s1 ZINC000120458990 365427885 /nfs/dbraw/zinc/42/78/85/365427885.db2.gz BOBXYGPGVRLANL-UHFFFAOYSA-N 1 2 290.436 2.108 10 0 CEAELO COc1ccc(C[N@H+]2[C@H](C)COC[C@@H]2C)cc1F ZINC000120847366 365484096 /nfs/dbraw/zinc/48/40/96/365484096.db2.gz FNHCPNFRUCORPE-PHIMTYICSA-N 1 2 253.317 2.444 10 0 CEAELO COc1ccc(C[N@@H+]2[C@H](C)COC[C@@H]2C)cc1F ZINC000120847366 365484100 /nfs/dbraw/zinc/48/41/00/365484100.db2.gz FNHCPNFRUCORPE-PHIMTYICSA-N 1 2 253.317 2.444 10 0 CEAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cnn(CC)c1 ZINC000167825168 367344366 /nfs/dbraw/zinc/34/43/66/367344366.db2.gz UNQHOVGREALLEQ-YPMHNXCESA-N 1 2 288.399 2.243 10 0 CEAELO CC(C)c1nc(C2(NCc3[nH+]ccn3C)CCCC2)no1 ZINC000171383953 367532620 /nfs/dbraw/zinc/53/26/20/367532620.db2.gz GPBWBEFVZPBBCJ-UHFFFAOYSA-N 1 2 289.383 2.486 10 0 CEAELO COC[C@@H](C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000171452678 367546612 /nfs/dbraw/zinc/54/66/12/367546612.db2.gz LCZVTAPULRSQMX-LLVKDONJSA-N 1 2 259.309 2.093 10 0 CEAELO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@H](c2nncn2C)C1 ZINC000681913803 541607476 /nfs/dbraw/zinc/60/74/76/541607476.db2.gz HEQAYYJXBSMIJB-DKGMDFAASA-N 1 2 298.390 2.292 10 0 CEAELO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@H](c2nncn2C)C1 ZINC000681913803 541607478 /nfs/dbraw/zinc/60/74/78/541607478.db2.gz HEQAYYJXBSMIJB-DKGMDFAASA-N 1 2 298.390 2.292 10 0 CEAELO Cc1csc([C@H]2C[N@H+](CCc3cccnc3)CCO2)n1 ZINC000172158868 367686234 /nfs/dbraw/zinc/68/62/34/367686234.db2.gz SMWMNPOUCYIEPR-CQSZACIVSA-N 1 2 289.404 2.463 10 0 CEAELO Cc1csc([C@H]2C[N@@H+](CCc3cccnc3)CCO2)n1 ZINC000172158868 367686236 /nfs/dbraw/zinc/68/62/36/367686236.db2.gz SMWMNPOUCYIEPR-CQSZACIVSA-N 1 2 289.404 2.463 10 0 CEAELO CCC[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC000245722336 370863481 /nfs/dbraw/zinc/86/34/81/370863481.db2.gz WJLISQOIVOLNCO-JYJNAYRXSA-N 1 2 296.455 2.238 10 0 CEAELO CC(C)(C)CCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172768648 367815759 /nfs/dbraw/zinc/81/57/59/367815759.db2.gz NENSFGRBKORBJP-AWEZNQCLSA-N 1 2 282.428 2.136 10 0 CEAELO C[C@@H](CC1CCCC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172769139 367815824 /nfs/dbraw/zinc/81/58/24/367815824.db2.gz KURJPCWZBBDTDB-GOEBONIOSA-N 1 2 294.439 2.136 10 0 CEAELO CC(=O)c1ccccc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000174344144 368013863 /nfs/dbraw/zinc/01/38/63/368013863.db2.gz AJQOMCGARFRTTJ-AWEZNQCLSA-N 1 2 286.375 2.200 10 0 CEAELO CC(=O)c1ccccc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000174344144 368013869 /nfs/dbraw/zinc/01/38/69/368013869.db2.gz AJQOMCGARFRTTJ-AWEZNQCLSA-N 1 2 286.375 2.200 10 0 CEAELO Cn1c(COc2cccc(-n3cc[nH+]c3)c2)nnc1C1CC1 ZINC000181887921 368504462 /nfs/dbraw/zinc/50/44/62/368504462.db2.gz ZOWLRGQCNIIPMQ-UHFFFAOYSA-N 1 2 295.346 2.457 10 0 CEAELO CCn1cc[nH+]c1CS[C@H](C)c1nc(COC)no1 ZINC000182046918 368518384 /nfs/dbraw/zinc/51/83/84/368518384.db2.gz SUBGJMXSJPMVCH-SECBINFHSA-N 1 2 282.369 2.427 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCC[C@@H]1C)C2 ZINC000163988570 541719627 /nfs/dbraw/zinc/71/96/27/541719627.db2.gz YJKXCXKHWDMGQL-CMPLNLGQSA-N 1 2 261.369 2.224 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCC[C@@H]1C)CC2 ZINC000163988570 541719631 /nfs/dbraw/zinc/71/96/31/541719631.db2.gz YJKXCXKHWDMGQL-CMPLNLGQSA-N 1 2 261.369 2.224 10 0 CEAELO C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000187982544 369268873 /nfs/dbraw/zinc/26/88/73/369268873.db2.gz YEUCFCZEMAFJHR-DGCLKSJQSA-N 1 2 286.335 2.021 10 0 CEAELO CC(C)(C)OC(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188090623 369294430 /nfs/dbraw/zinc/29/44/30/369294430.db2.gz YUKSAYMQVRONOW-STQMWFEESA-N 1 2 297.420 2.098 10 0 CEAELO CC(C)(C)OC(=O)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188090623 369294432 /nfs/dbraw/zinc/29/44/32/369294432.db2.gz YUKSAYMQVRONOW-STQMWFEESA-N 1 2 297.420 2.098 10 0 CEAELO Cc1ncsc1C[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192583453 369830992 /nfs/dbraw/zinc/83/09/92/369830992.db2.gz RCVRYENHZUNBJX-SNVBAGLBSA-N 1 2 278.381 2.449 10 0 CEAELO CCn1c(C)nnc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000195022267 370098026 /nfs/dbraw/zinc/09/80/26/370098026.db2.gz SGDDPOGPBFLRFA-UHFFFAOYSA-N 1 2 262.332 2.378 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000195022267 370098029 /nfs/dbraw/zinc/09/80/29/370098029.db2.gz SGDDPOGPBFLRFA-UHFFFAOYSA-N 1 2 262.332 2.378 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](CCC)C(=O)OCC)C1 ZINC000246689714 370995847 /nfs/dbraw/zinc/99/58/47/370995847.db2.gz INRDOGOYVULIKF-ZIAGYGMSSA-N 1 2 298.427 2.099 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](CCC)C(=O)OCC)C1 ZINC000246689714 370995853 /nfs/dbraw/zinc/99/58/53/370995853.db2.gz INRDOGOYVULIKF-ZIAGYGMSSA-N 1 2 298.427 2.099 10 0 CEAELO C[C@@H](CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC000248519490 371205625 /nfs/dbraw/zinc/20/56/25/371205625.db2.gz AZQQGHRUCLOOAT-ILXRZTDVSA-N 1 2 296.455 2.286 10 0 CEAELO C[C@H](Cc1ccccc1)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248618623 371223767 /nfs/dbraw/zinc/22/37/67/371223767.db2.gz ZQMCRYPJURWHSG-IKGGRYGDSA-N 1 2 290.451 2.252 10 0 CEAELO C[C@H](Cc1ccccc1)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248618623 371223771 /nfs/dbraw/zinc/22/37/71/371223771.db2.gz ZQMCRYPJURWHSG-IKGGRYGDSA-N 1 2 290.451 2.252 10 0 CEAELO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000248639610 371229141 /nfs/dbraw/zinc/22/91/41/371229141.db2.gz BKAVMNJLTXDKPP-UONOGXRCSA-N 1 2 299.436 2.299 10 0 CEAELO CCCCOC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000248639610 371229150 /nfs/dbraw/zinc/22/91/50/371229150.db2.gz BKAVMNJLTXDKPP-UONOGXRCSA-N 1 2 299.436 2.299 10 0 CEAELO CCC[C@H]([NH2+][C@@H]1CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000248780917 371245667 /nfs/dbraw/zinc/24/56/67/371245667.db2.gz HYUFCCUMLXAANW-TUAOUCFPSA-N 1 2 257.374 2.264 10 0 CEAELO Cc1csc([C@@H]2C[N@H+](Cc3cnc(N)s3)CCO2)n1 ZINC000262017712 371801034 /nfs/dbraw/zinc/80/10/34/371801034.db2.gz MXEONZUOEYQAEN-JTQLQIEISA-N 1 2 296.421 2.064 10 0 CEAELO Cc1csc([C@@H]2C[N@@H+](Cc3cnc(N)s3)CCO2)n1 ZINC000262017712 371801041 /nfs/dbraw/zinc/80/10/41/371801041.db2.gz MXEONZUOEYQAEN-JTQLQIEISA-N 1 2 296.421 2.064 10 0 CEAELO Fc1ccccc1OCc1noc([C@H]2C[C@H](F)C[NH2+]2)n1 ZINC000262033344 371806727 /nfs/dbraw/zinc/80/67/27/371806727.db2.gz OGFPXLSMFXAZOK-WCBMZHEXSA-N 1 2 281.262 2.160 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)c2c(C)coc2C)C1 ZINC000644121658 373418063 /nfs/dbraw/zinc/41/80/63/373418063.db2.gz VMNMGQKVLXAWEU-NEPJUHHUSA-N 1 2 289.335 2.222 10 0 CEAELO c1cc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)n[nH]1 ZINC000328635559 376866352 /nfs/dbraw/zinc/86/63/52/376866352.db2.gz NKRHVOPHEXPWBY-AWEZNQCLSA-N 1 2 271.368 2.349 10 0 CEAELO CCCc1nnc(N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000301684275 379297456 /nfs/dbraw/zinc/29/74/56/379297456.db2.gz UWVQVTOKEOJWSE-UHFFFAOYSA-N 1 2 289.408 2.212 10 0 CEAELO CCC(=O)CC[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000190205798 130073243 /nfs/dbraw/zinc/07/32/43/130073243.db2.gz XXILCFJEFZXHFH-GFCCVEGCSA-N 1 2 268.382 2.194 10 0 CEAELO CCC(=O)CC[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000190205798 130073244 /nfs/dbraw/zinc/07/32/44/130073244.db2.gz XXILCFJEFZXHFH-GFCCVEGCSA-N 1 2 268.382 2.194 10 0 CEAELO Cc1ncc(C[NH+]2CCN(C(=O)N(C)C(C)C)CC2)s1 ZINC000190719211 130138713 /nfs/dbraw/zinc/13/87/13/130138713.db2.gz KXFXDTMOVDGNQE-UHFFFAOYSA-N 1 2 296.440 2.029 10 0 CEAELO Cn1c(C[NH+]2CCC(c3ccncc3)CC2)nnc1C1CC1 ZINC000191634274 130266701 /nfs/dbraw/zinc/26/67/01/130266701.db2.gz FNYBCEBPQQQJGU-UHFFFAOYSA-N 1 2 297.406 2.467 10 0 CEAELO CCC(=O)[C@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000085682144 135037648 /nfs/dbraw/zinc/03/76/48/135037648.db2.gz FZNJPJGQYVEAKZ-ZDUSSCGKSA-N 1 2 276.380 2.185 10 0 CEAELO NC(=O)c1cc([N@@H+]2CCC[C@H]3CCC[C@@H]32)ccc1N ZINC000087783054 135051408 /nfs/dbraw/zinc/05/14/08/135051408.db2.gz YSVJHZQNDNGKFV-YGRLFVJLSA-N 1 2 259.353 2.137 10 0 CEAELO NC(=O)c1cc([N@H+]2CCC[C@H]3CCC[C@@H]32)ccc1N ZINC000087783054 135051409 /nfs/dbraw/zinc/05/14/09/135051409.db2.gz YSVJHZQNDNGKFV-YGRLFVJLSA-N 1 2 259.353 2.137 10 0 CEAELO C[C@@H]1CC[C@H](C)N(c2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000088710932 135056568 /nfs/dbraw/zinc/05/65/68/135056568.db2.gz YJYJZUPGGWKPFB-ZJUUUORDSA-N 1 2 292.774 2.336 10 0 CEAELO COCCCCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000111691477 394740904 /nfs/dbraw/zinc/74/09/04/394740904.db2.gz NPPOMAKFVXOCTR-GFCCVEGCSA-N 1 2 270.398 2.333 10 0 CEAELO COCCCCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000111691477 394740907 /nfs/dbraw/zinc/74/09/07/394740907.db2.gz NPPOMAKFVXOCTR-GFCCVEGCSA-N 1 2 270.398 2.333 10 0 CEAELO COc1ncc(C[NH2+][C@@H](C)c2ncc(C)o2)s1 ZINC000383576690 395186425 /nfs/dbraw/zinc/18/64/25/395186425.db2.gz LBLREFWJOXKLLF-QMMMGPOBSA-N 1 2 253.327 2.299 10 0 CEAELO Cc1cncc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)c1 ZINC000184383154 395272091 /nfs/dbraw/zinc/27/20/91/395272091.db2.gz KYJWXLPMUCZNAX-AAEUAGOBSA-N 1 2 257.341 2.167 10 0 CEAELO CCc1nnc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)o1 ZINC000192504357 395385392 /nfs/dbraw/zinc/38/53/92/395385392.db2.gz KOQSSRGHTKKTQC-SNVBAGLBSA-N 1 2 289.335 2.254 10 0 CEAELO CCc1nnc(C[N@@H+]2CCC[C@H]2c2cccn2C)n1C ZINC000195029508 153269757 /nfs/dbraw/zinc/26/97/57/153269757.db2.gz WBEDDHWEZQFIHE-ZDUSSCGKSA-N 1 2 273.384 2.053 10 0 CEAELO CCc1nnc(C[N@H+]2CCC[C@H]2c2cccn2C)n1C ZINC000195029508 153269759 /nfs/dbraw/zinc/26/97/59/153269759.db2.gz WBEDDHWEZQFIHE-ZDUSSCGKSA-N 1 2 273.384 2.053 10 0 CEAELO CC(C)NC(=O)CC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195373633 153289582 /nfs/dbraw/zinc/28/95/82/153289582.db2.gz JVGSMRABZQBZMK-LBPRGKRZSA-N 1 2 294.399 2.245 10 0 CEAELO CC(C)NC(=O)CC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195373633 153289585 /nfs/dbraw/zinc/28/95/85/153289585.db2.gz JVGSMRABZQBZMK-LBPRGKRZSA-N 1 2 294.399 2.245 10 0 CEAELO CCc1nc(C[NH+]2CCC(c3cnn(CC)c3)CC2)no1 ZINC000195513021 153290677 /nfs/dbraw/zinc/29/06/77/153290677.db2.gz LXPHAOPMRPNXTO-UHFFFAOYSA-N 1 2 289.383 2.228 10 0 CEAELO CC(C)(C)CCNC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507408 153291140 /nfs/dbraw/zinc/29/11/40/153291140.db2.gz JDBUCWOLSPPHRZ-UHFFFAOYSA-N 1 2 292.427 2.142 10 0 CEAELO CCCCCNC(=O)[C@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507973 153293965 /nfs/dbraw/zinc/29/39/65/153293965.db2.gz LRRUYRLEYIXYSJ-ZDUSSCGKSA-N 1 2 292.427 2.284 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1ccccc1F ZINC000195519650 153294061 /nfs/dbraw/zinc/29/40/61/153294061.db2.gz MESBJEHFIAJGPN-UHFFFAOYSA-N 1 2 282.340 2.157 10 0 CEAELO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccccc2Cl)C1 ZINC000263491779 154107162 /nfs/dbraw/zinc/10/71/62/154107162.db2.gz ISVWOANXXOBVQV-UHFFFAOYSA-N 1 2 296.798 2.367 10 0 CEAELO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccccc2Cl)C1 ZINC000263491779 154107165 /nfs/dbraw/zinc/10/71/65/154107165.db2.gz ISVWOANXXOBVQV-UHFFFAOYSA-N 1 2 296.798 2.367 10 0 CEAELO CCn1ccnc1C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000171623219 165052288 /nfs/dbraw/zinc/05/22/88/165052288.db2.gz KEAGLRWKXPTRAA-AWEZNQCLSA-N 1 2 273.384 2.245 10 0 CEAELO CCn1ccnc1C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000171623219 165052290 /nfs/dbraw/zinc/05/22/90/165052290.db2.gz KEAGLRWKXPTRAA-AWEZNQCLSA-N 1 2 273.384 2.245 10 0 CEAELO CCc1nnc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)[nH]1 ZINC000173686175 165077070 /nfs/dbraw/zinc/07/70/70/165077070.db2.gz LHPLEGNDKGFSMK-AWEZNQCLSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)[nH]1 ZINC000173686175 165077077 /nfs/dbraw/zinc/07/70/77/165077077.db2.gz LHPLEGNDKGFSMK-AWEZNQCLSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)n[nH]1 ZINC000173686175 165077082 /nfs/dbraw/zinc/07/70/82/165077082.db2.gz LHPLEGNDKGFSMK-AWEZNQCLSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)n[nH]1 ZINC000173686175 165077086 /nfs/dbraw/zinc/07/70/86/165077086.db2.gz LHPLEGNDKGFSMK-AWEZNQCLSA-N 1 2 286.379 2.249 10 0 CEAELO Cc1cc(N)cc(S(=O)(=O)Nc2cc[nH+]cc2)c1C ZINC000020551912 171247530 /nfs/dbraw/zinc/24/75/30/171247530.db2.gz HSOVXOHYHMYFDR-UHFFFAOYSA-N 1 2 277.349 2.081 10 0 CEAELO Cc1ccc(N)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022154995 171362155 /nfs/dbraw/zinc/36/21/55/171362155.db2.gz VKWJVOGOADJAKS-XQQFMLRXSA-N 1 2 291.395 2.013 10 0 CEAELO Cc1ccc(N)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022154995 171362156 /nfs/dbraw/zinc/36/21/56/171362156.db2.gz VKWJVOGOADJAKS-XQQFMLRXSA-N 1 2 291.395 2.013 10 0 CEAELO O=C(Nc1cc(Cl)ccc1F)[C@H]1CSC[NH2+]1 ZINC000035284657 172102720 /nfs/dbraw/zinc/10/27/20/172102720.db2.gz RKTDKLQVIGHKTG-SECBINFHSA-N 1 2 260.721 2.080 10 0 CEAELO CC[NH2+][C@]1(C(=O)OC)CCCc2cc(OC)ccc21 ZINC000037446631 173213437 /nfs/dbraw/zinc/21/34/37/173213437.db2.gz AAXCFVCSLZJIEW-OAHLLOKOSA-N 1 2 263.337 2.009 10 0 CEAELO CC[NH2+][C@@](CC)(C(=O)OCC)c1ccc(OC)cc1 ZINC000037447127 173214460 /nfs/dbraw/zinc/21/44/60/173214460.db2.gz MPSGEMRRBMJKKL-OAHLLOKOSA-N 1 2 265.353 2.473 10 0 CEAELO CCOC(=O)[C@H]([NH3+])c1cc(Cl)c2c(c1)OCCCO2 ZINC000037514854 173246775 /nfs/dbraw/zinc/24/67/75/173246775.db2.gz DCTCDXDUJLWOAD-LLVKDONJSA-N 1 2 285.727 2.064 10 0 CEAELO CCOC(=O)[C@@](C)([NH3+])c1cccc(OC(F)F)c1 ZINC000037514867 173246822 /nfs/dbraw/zinc/24/68/22/173246822.db2.gz SAHAAURABKWIOL-LBPRGKRZSA-N 1 2 259.252 2.025 10 0 CEAELO Cc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@@H]1CCC[N@@H+](C)C1 ZINC000040716046 174383917 /nfs/dbraw/zinc/38/39/17/174383917.db2.gz ZORMFRKXZFOFRG-GFCCVEGCSA-N 1 2 273.336 2.310 10 0 CEAELO Cc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@@H]1CCC[N@H+](C)C1 ZINC000040716046 174383919 /nfs/dbraw/zinc/38/39/19/174383919.db2.gz ZORMFRKXZFOFRG-GFCCVEGCSA-N 1 2 273.336 2.310 10 0 CEAELO CN(c1ccccc1)c1[nH+]cnc(N2CCCC2)c1N ZINC000040724314 174386829 /nfs/dbraw/zinc/38/68/29/174386829.db2.gz SBOIJCDTDBNWAN-UHFFFAOYSA-N 1 2 269.352 2.427 10 0 CEAELO CN(c1ccccc1)c1nc[nH+]c(N2CCCC2)c1N ZINC000040724314 174386830 /nfs/dbraw/zinc/38/68/30/174386830.db2.gz SBOIJCDTDBNWAN-UHFFFAOYSA-N 1 2 269.352 2.427 10 0 CEAELO Cc1cc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)on1 ZINC000044991612 175286363 /nfs/dbraw/zinc/28/63/63/175286363.db2.gz XMCPICLWYKFCTO-UHFFFAOYSA-N 1 2 279.727 2.365 10 0 CEAELO C[C@H](C[NH2+]Cc1nccn1C(F)F)N1CCCCC1 ZINC000044993380 175286747 /nfs/dbraw/zinc/28/67/47/175286747.db2.gz XUGCJACNSSFGLB-LLVKDONJSA-N 1 2 272.343 2.242 10 0 CEAELO C[C@@H](CNc1ccc([NH3+])cc1C(=O)[O-])[NH+]1CCCCC1 ZINC000045015589 175290975 /nfs/dbraw/zinc/29/09/75/175290975.db2.gz MHBLZNHCSRDAJX-NSHDSACASA-N 1 2 277.368 2.253 10 0 CEAELO Nc1ccc([NH2+]CCCCn2cc[nH+]c2)c(C(=O)[O-])c1 ZINC000045113838 175311037 /nfs/dbraw/zinc/31/10/37/175311037.db2.gz MVJMKJUSEWYDEW-UHFFFAOYSA-N 1 2 274.324 2.056 10 0 CEAELO Cn1cc[nH+]c1CCN1C(=S)N=NC1c1cccs1 ZINC000045135855 175313478 /nfs/dbraw/zinc/31/34/78/175313478.db2.gz HMZKOSDJSZWDMX-UHFFFAOYSA-N 1 2 291.405 2.272 10 0 CEAELO CC[NH2+][C@@](C)(CCN(C)c1ccccc1)C(=O)OC ZINC000045227707 175333290 /nfs/dbraw/zinc/33/32/90/175333290.db2.gz YVUIIHBRUZDQCU-HNNXBMFYSA-N 1 2 264.369 2.054 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272042 175343275 /nfs/dbraw/zinc/34/32/75/175343275.db2.gz XMMPBOUQSMITJJ-SQWLQELKSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272042 175343276 /nfs/dbraw/zinc/34/32/76/175343276.db2.gz XMMPBOUQSMITJJ-SQWLQELKSA-N 1 2 282.428 2.341 10 0 CEAELO CCOC(=O)[C@@](C)(CCN(CC(F)(F)F)C(C)C)[NH2+]C ZINC000045273976 175344504 /nfs/dbraw/zinc/34/45/04/175344504.db2.gz LPSRZUHHSHUCFL-GFCCVEGCSA-N 1 2 298.349 2.190 10 0 CEAELO CC[N@H+](CCC[C@@](C)([NH3+])C(=O)[O-])c1cccc(C)c1 ZINC000045419988 175377613 /nfs/dbraw/zinc/37/76/13/175377613.db2.gz FBLUJGBXEVNJLR-OAHLLOKOSA-N 1 2 264.369 2.404 10 0 CEAELO CC[N@@H+](CCC[C@@](C)([NH3+])C(=O)[O-])c1cccc(C)c1 ZINC000045419988 175377614 /nfs/dbraw/zinc/37/76/14/175377614.db2.gz FBLUJGBXEVNJLR-OAHLLOKOSA-N 1 2 264.369 2.404 10 0 CEAELO CCC[NH2+][C@@H](CN(CCC)CC(F)(F)F)C(=O)OCC ZINC000045420783 175379383 /nfs/dbraw/zinc/37/93/83/175379383.db2.gz OLOLUIMNGKYBQF-NSHDSACASA-N 1 2 298.349 2.192 10 0 CEAELO CNc1cc(Cn2cc(C(F)(F)F)ccc2=O)cc[nH+]1 ZINC000071212083 176083943 /nfs/dbraw/zinc/08/39/43/176083943.db2.gz HGOHUEGPMKMPNJ-UHFFFAOYSA-N 1 2 283.253 2.352 10 0 CEAELO CN(C)c1ccc(NC2CN(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000071335606 176126898 /nfs/dbraw/zinc/12/68/98/176126898.db2.gz NOIQXXXVGRSMCC-UHFFFAOYSA-N 1 2 292.383 2.179 10 0 CEAELO Cc1ccn2cc(CC(=O)Nc3nccs3)[nH+]c2c1 ZINC000071554766 176196856 /nfs/dbraw/zinc/19/68/56/176196856.db2.gz NYXTYSYUHDMTNA-UHFFFAOYSA-N 1 2 272.333 2.280 10 0 CEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@H](C2CCCCC2)C1 ZINC000662656316 415921684 /nfs/dbraw/zinc/92/16/84/415921684.db2.gz MNIDGMOCNOWFIN-QWHCGFSZSA-N 1 2 286.366 2.412 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)N(C)CC1CCCCC1 ZINC000077367982 177258546 /nfs/dbraw/zinc/25/85/46/177258546.db2.gz SDISGCZPBTYWGM-OKILXGFUSA-N 1 2 282.428 2.134 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)N(C)CC1CCCCC1 ZINC000077367982 177258547 /nfs/dbraw/zinc/25/85/47/177258547.db2.gz SDISGCZPBTYWGM-OKILXGFUSA-N 1 2 282.428 2.134 10 0 CEAELO CCN(C(=O)C[N@H+]1[C@H](C)COC[C@@H]1C)C1CCCCC1 ZINC000077370900 177259895 /nfs/dbraw/zinc/25/98/95/177259895.db2.gz QXUOFFWKWUVLHI-OKILXGFUSA-N 1 2 282.428 2.277 10 0 CEAELO CCN(C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C)C1CCCCC1 ZINC000077370900 177259897 /nfs/dbraw/zinc/25/98/97/177259897.db2.gz QXUOFFWKWUVLHI-OKILXGFUSA-N 1 2 282.428 2.277 10 0 CEAELO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000185362240 277084291 /nfs/dbraw/zinc/08/42/91/277084291.db2.gz RGXMSTODLBYNMM-INIZCTEOSA-N 1 2 299.374 2.466 10 0 CEAELO COC(=O)[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000185362240 277084292 /nfs/dbraw/zinc/08/42/92/277084292.db2.gz RGXMSTODLBYNMM-INIZCTEOSA-N 1 2 299.374 2.466 10 0 CEAELO CC(C)(C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000124429595 278267482 /nfs/dbraw/zinc/26/74/82/278267482.db2.gz KMDOOEUDIYLFMU-HNNXBMFYSA-N 1 2 294.439 2.136 10 0 CEAELO CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000245404187 280238043 /nfs/dbraw/zinc/23/80/43/280238043.db2.gz OHBWLKLFECFXPL-KGLIPLIRSA-N 1 2 298.427 2.099 10 0 CEAELO CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000245404187 280238044 /nfs/dbraw/zinc/23/80/44/280238044.db2.gz OHBWLKLFECFXPL-KGLIPLIRSA-N 1 2 298.427 2.099 10 0 CEAELO CCOC(=O)c1csc(C[N@@H+]2C[C@H]3CCC[C@H]32)n1 ZINC000432785233 281340357 /nfs/dbraw/zinc/34/03/57/281340357.db2.gz SFDGKPFSYJMZTQ-MWLCHTKSSA-N 1 2 266.366 2.304 10 0 CEAELO CCOC(=O)c1csc(C[N@H+]2C[C@H]3CCC[C@H]32)n1 ZINC000432785233 281340358 /nfs/dbraw/zinc/34/03/58/281340358.db2.gz SFDGKPFSYJMZTQ-MWLCHTKSSA-N 1 2 266.366 2.304 10 0 CEAELO CC(C)(C)C1=NN(C2CCCC2)C(=O)[C@H]1CC[NH3+] ZINC000069506597 518600634 /nfs/dbraw/zinc/60/06/34/518600634.db2.gz MGRMUKGZSWFCRZ-NSHDSACASA-N 1 2 251.374 2.138 10 0 CEAELO CC(C)(C)c1[nH]n(C2CCCC2)c(=O)c1CC[NH3+] ZINC000069506597 518600644 /nfs/dbraw/zinc/60/06/44/518600644.db2.gz MGRMUKGZSWFCRZ-NSHDSACASA-N 1 2 251.374 2.138 10 0 CEAELO CCC1CC[NH+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069183796 519859363 /nfs/dbraw/zinc/85/93/63/519859363.db2.gz RUFWCAAKXZTKOZ-MRXNPFEDSA-N 1 2 280.412 2.094 10 0 CEAELO CCOC(=O)[C@H](CCSc1ncc(C)cn1)[NH2+]C(C)C ZINC000062602405 521249823 /nfs/dbraw/zinc/24/98/23/521249823.db2.gz XGFXQVUZIMFUEW-LBPRGKRZSA-N 1 2 297.424 2.197 10 0 CEAELO CCOC(=O)c1[nH+]c(C)n(Cc2ccc(C)s2)c1N ZINC000050225808 521597274 /nfs/dbraw/zinc/59/72/74/521597274.db2.gz GKPFDXUNZCFJIB-UHFFFAOYSA-N 1 2 279.365 2.369 10 0 CEAELO CC(C)[NH2+][C@@H](CCn1cc[nH+]c1-c1ccccc1)C(=O)[O-] ZINC000062536515 519734568 /nfs/dbraw/zinc/73/45/68/519734568.db2.gz PNXYWCWVWIDZMU-AWEZNQCLSA-N 1 2 287.363 2.391 10 0 CEAELO CCCC1=NN(c2ccc(OC)cc2)C(=O)[C@H]1CC[NH3+] ZINC000069505905 519894617 /nfs/dbraw/zinc/89/46/17/519894617.db2.gz KTZSQDYYDDUCAL-ZDUSSCGKSA-N 1 2 275.352 2.163 10 0 CEAELO CCCC1=NN(c2ccc(F)cc2F)C(=O)[C@H]1CC[NH3+] ZINC000069506026 519894629 /nfs/dbraw/zinc/89/46/29/519894629.db2.gz XAKGFGNERDWFAU-JTQLQIEISA-N 1 2 281.306 2.433 10 0 CEAELO CCC[NH2+][C@@H](CCN1CCc2ccccc21)C(=O)OCC ZINC000062439210 520001438 /nfs/dbraw/zinc/00/14/38/520001438.db2.gz QETYPWSXBVGGKA-HNNXBMFYSA-N 1 2 290.407 2.371 10 0 CEAELO CCC[NH2+][C@@H](CCSc1nccc(C)n1)C(=O)OCC ZINC000062602798 520006587 /nfs/dbraw/zinc/00/65/87/520006587.db2.gz UCVLBHPYDBKJRE-LBPRGKRZSA-N 1 2 297.424 2.199 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](C)[C@@H](C)CCC)(C(=O)[O-])C1CC1 ZINC000069100219 520050229 /nfs/dbraw/zinc/05/02/29/520050229.db2.gz HLEAMVLCSHCCBQ-SWLSCSKDSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](C)[C@@H](C)CCC)(C(=O)[O-])C1CC1 ZINC000069100219 520050222 /nfs/dbraw/zinc/05/02/22/520050222.db2.gz HLEAMVLCSHCCBQ-SWLSCSKDSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@@](COCC(F)(F)F)(C(=O)OCC)C1CC1 ZINC000069196837 520055474 /nfs/dbraw/zinc/05/54/74/520055474.db2.gz IQMALULQYKGBSH-GFCCVEGCSA-N 1 2 297.317 2.277 10 0 CEAELO CCC[NH2+][C@@](COCCC(C)C)(C(=O)OC)C1CC1 ZINC000069196205 520055552 /nfs/dbraw/zinc/05/55/52/520055552.db2.gz CSIHOZPBPQWYKW-OAHLLOKOSA-N 1 2 271.401 2.371 10 0 CEAELO CCN(C(=O)c1cccc(NN)[nH+]1)c1cccc(C)c1 ZINC000051094181 520099762 /nfs/dbraw/zinc/09/97/62/520099762.db2.gz VGZAXYWKZYNTIB-UHFFFAOYSA-N 1 2 270.336 2.342 10 0 CEAELO CC[NH2+][C@H](CCN(CC)c1ccc(C)cc1)C(=O)OC ZINC000062529188 520187470 /nfs/dbraw/zinc/18/74/70/520187470.db2.gz SVGCZKUVBIIGOX-OAHLLOKOSA-N 1 2 278.396 2.363 10 0 CEAELO CC[NH2+][C@H](CCOc1ccc(CC)cc1)C(=O)OC ZINC000062548585 520190819 /nfs/dbraw/zinc/19/08/19/520190819.db2.gz DYUPVSYPFROHGI-CQSZACIVSA-N 1 2 265.353 2.169 10 0 CEAELO CC[NH2+][C@H](CCOc1ccccc1OC)C(=O)OCC ZINC000062550209 520195292 /nfs/dbraw/zinc/19/52/92/520195292.db2.gz BGVARZLCFOVURP-GFCCVEGCSA-N 1 2 281.352 2.005 10 0 CEAELO CCNc1snnc1C[N@H+](CCOC)[C@H](C)CC ZINC000050816993 520386650 /nfs/dbraw/zinc/38/66/50/520386650.db2.gz IHFVNFWNJYUIPI-SNVBAGLBSA-N 1 2 272.418 2.217 10 0 CEAELO CCNc1snnc1C[N@@H+](CCOC)[C@H](C)CC ZINC000050816993 520386657 /nfs/dbraw/zinc/38/66/57/520386657.db2.gz IHFVNFWNJYUIPI-SNVBAGLBSA-N 1 2 272.418 2.217 10 0 CEAELO CCCOc1ccc(OCC[C@@H]([NH2+]CC)C(=O)OC)cc1 ZINC000062594357 520407945 /nfs/dbraw/zinc/40/79/45/520407945.db2.gz XODFIPQQOOATMD-OAHLLOKOSA-N 1 2 295.379 2.395 10 0 CEAELO CCCOc1ccc(OCC[C@@H]([NH2+]C)C(=O)OC)cc1 ZINC000062594381 520408563 /nfs/dbraw/zinc/40/85/63/520408563.db2.gz YBHULPMRTUYNOD-CQSZACIVSA-N 1 2 281.352 2.005 10 0 CEAELO CCCOc1ccc(OCC[C@H]([NH2+]C)C(=O)OCC)cc1 ZINC000062594375 520408667 /nfs/dbraw/zinc/40/86/67/520408667.db2.gz LHMLWRQGQUYREN-HNNXBMFYSA-N 1 2 295.379 2.395 10 0 CEAELO CCOC(=O)C=C(O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000068813739 520590515 /nfs/dbraw/zinc/59/05/15/520590515.db2.gz BOAUESPRZBLOHD-CHWSQXEVSA-N 1 2 267.369 2.021 10 0 CEAELO CCOC(=O)C=C(O)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000068813739 520590524 /nfs/dbraw/zinc/59/05/24/520590524.db2.gz BOAUESPRZBLOHD-CHWSQXEVSA-N 1 2 267.369 2.021 10 0 CEAELO CCOC(=O)[C@@H](CCOc1cccc(OCC)c1)[NH2+]C ZINC000062595890 521062316 /nfs/dbraw/zinc/06/23/16/521062316.db2.gz FICIOEXAMZIDIR-CQSZACIVSA-N 1 2 281.352 2.005 10 0 CEAELO CCOC(=O)[C@@H](CCSc1ccccc1)[NH2+]C ZINC000062597917 521062836 /nfs/dbraw/zinc/06/28/36/521062836.db2.gz GAYSXRZIUUZOPO-GFCCVEGCSA-N 1 2 253.367 2.320 10 0 CEAELO CCOC(=O)[C@@H](CSCc1cccc(C)c1)[NH2+]C ZINC000054966440 521067415 /nfs/dbraw/zinc/06/74/15/521067415.db2.gz CHHLACYXCIGFTH-CYBMUJFWSA-N 1 2 267.394 2.379 10 0 CEAELO CCOC(=O)[C@@](COc1cccc(C)c1)([NH2+]C)C1CC1 ZINC000069197435 521169097 /nfs/dbraw/zinc/16/90/97/521169097.db2.gz WIENRHOALMCSAG-INIZCTEOSA-N 1 2 277.364 2.305 10 0 CEAELO CCOC(=O)[C@H](CCOc1cc(F)cc(F)c1)[NH2+]C1CC1 ZINC000062596239 521246830 /nfs/dbraw/zinc/24/68/30/521246830.db2.gz AFANDKXUEITAKU-AWEZNQCLSA-N 1 2 299.317 2.417 10 0 CEAELO CCOC(=O)[C@H](Cn1nc(C)c(Cl)c1C)[NH2+]C(C)C ZINC000050588197 521256240 /nfs/dbraw/zinc/25/62/40/521256240.db2.gz UPWGBVFSQMTWTD-NSHDSACASA-N 1 2 287.791 2.083 10 0 CEAELO CCN(C[C@]([NH2+]C)(C(=O)OC)C1CC1)c1cccc(F)c1 ZINC000069101184 521276732 /nfs/dbraw/zinc/27/67/32/521276732.db2.gz BRWSYPXEJNTOKC-MRXNPFEDSA-N 1 2 294.370 2.193 10 0 CEAELO CCOC(=O)[C@](C)(CCOCC(F)(F)F)[NH2+]C1CC1 ZINC000045505910 521320599 /nfs/dbraw/zinc/32/05/99/521320599.db2.gz ZVJORSPEQMDYNW-NSHDSACASA-N 1 2 283.290 2.029 10 0 CEAELO CCOc1cccc(OCC[C@H]([NH2+]C2CC2)C(=O)OC)c1 ZINC000062595877 521402355 /nfs/dbraw/zinc/40/23/55/521402355.db2.gz MMMSMABQJDJLEW-HNNXBMFYSA-N 1 2 293.363 2.148 10 0 CEAELO CCOc1cccc(OCC[C@@H]([NH2+]C2CC2)C(=O)OC)c1 ZINC000062595879 521403185 /nfs/dbraw/zinc/40/31/85/521403185.db2.gz MMMSMABQJDJLEW-OAHLLOKOSA-N 1 2 293.363 2.148 10 0 CEAELO CCc1ccccc1OC[C@@]([NH2+]C)(C(=O)OC)C1CC1 ZINC000069198002 521923467 /nfs/dbraw/zinc/92/34/67/521923467.db2.gz VIOLFFMSVSWDEN-INIZCTEOSA-N 1 2 277.364 2.169 10 0 CEAELO CCc1[nH+]c(-c2ccc(OC)c(OC(F)F)c2)c(N)n1N ZINC000052838734 522146624 /nfs/dbraw/zinc/14/66/24/522146624.db2.gz OXWSALZOHZLIDP-UHFFFAOYSA-N 1 2 298.293 2.019 10 0 CEAELO C[NH2+][C@@](C)(CSc1ccccc1F)C(=O)OC ZINC000045557937 522412418 /nfs/dbraw/zinc/41/24/18/522412418.db2.gz MLAGAZBZXWOAHS-LBPRGKRZSA-N 1 2 257.330 2.069 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)n1cc(C(F)(F)F)cn1)C(=O)OC ZINC000068650403 522418402 /nfs/dbraw/zinc/41/84/02/522418402.db2.gz JWFUAZAHGDGHJO-KCJUWKMLSA-N 1 2 293.289 2.004 10 0 CEAELO C[NH2+][C@](COc1cc(C)ccc1C)(C(=O)OC)C1CC1 ZINC000069197324 522530710 /nfs/dbraw/zinc/53/07/10/522530710.db2.gz CIPITNQMJKCHDD-INIZCTEOSA-N 1 2 277.364 2.223 10 0 CEAELO CCc1[nH+]ccn1-c1nc(Cl)nc(N(CC)CC)n1 ZINC000061543067 522580528 /nfs/dbraw/zinc/58/05/28/522580528.db2.gz KZFWCGAHIBKQAF-UHFFFAOYSA-N 1 2 280.763 2.119 10 0 CEAELO CNc1[nH+]cccc1Cn1ccc(=O)c2ccccc21 ZINC000052733935 522711321 /nfs/dbraw/zinc/71/13/21/522711321.db2.gz YXVBNZSXURATOY-UHFFFAOYSA-N 1 2 265.316 2.487 10 0 CEAELO CCn1cc[nH+]c1CN(C)c1ccccc1C(=O)OC ZINC000054743879 523525364 /nfs/dbraw/zinc/52/53/64/523525364.db2.gz AIFLLIDIAKDHLH-UHFFFAOYSA-N 1 2 273.336 2.326 10 0 CEAELO CN(Cc1[nH+]ccn1C)c1ccc(N)c2ncccc12 ZINC000062250076 523592897 /nfs/dbraw/zinc/59/28/97/523592897.db2.gz YRIZCGNHWFMNLR-UHFFFAOYSA-N 1 2 267.336 2.187 10 0 CEAELO COC(=O)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1C)C(C)C ZINC000068828222 523632036 /nfs/dbraw/zinc/63/20/36/523632036.db2.gz YHWGGDVFSAEDHT-HNNXBMFYSA-N 1 2 295.379 2.299 10 0 CEAELO COC(=O)[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054603350 523656393 /nfs/dbraw/zinc/65/63/93/523656393.db2.gz KUSUPSANUDKROW-VNHYZAJKSA-N 1 2 273.332 2.097 10 0 CEAELO COC(=O)[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054603350 523656401 /nfs/dbraw/zinc/65/64/01/523656401.db2.gz KUSUPSANUDKROW-VNHYZAJKSA-N 1 2 273.332 2.097 10 0 CEAELO CCc1c(C)[nH+]c(-c2ccc(O)c(OC)c2)nc1N ZINC000050866457 523707431 /nfs/dbraw/zinc/70/74/31/523707431.db2.gz VRVZRQYURUFODG-UHFFFAOYSA-N 1 2 259.309 2.311 10 0 CEAELO C[C@H]1C[N@H+](Cc2nc(N)ccc2Cl)CC(C)(C)O1 ZINC000061638551 524649010 /nfs/dbraw/zinc/64/90/10/524649010.db2.gz XIBLAAIRZQWLSG-VIFPVBQESA-N 1 2 269.776 2.317 10 0 CEAELO C[C@H]1C[N@@H+](Cc2nc(N)ccc2Cl)CC(C)(C)O1 ZINC000061638551 524649018 /nfs/dbraw/zinc/64/90/18/524649018.db2.gz XIBLAAIRZQWLSG-VIFPVBQESA-N 1 2 269.776 2.317 10 0 CEAELO C[C@H](C[C@](C)([NH3+])C(=O)[O-])n1cc[nH+]c1-c1ccccc1 ZINC000068649075 524653050 /nfs/dbraw/zinc/65/30/50/524653050.db2.gz CAMCWAVJAKMITP-ABAIWWIYSA-N 1 2 273.336 2.303 10 0 CEAELO Cc1ccc(Cn2c3ccc(N)cc3[nH+]c2[C@@H](C)O)cn1 ZINC000062080555 524768894 /nfs/dbraw/zinc/76/88/94/524768894.db2.gz BBECMFCJRITACA-LLVKDONJSA-N 1 2 282.347 2.424 10 0 CEAELO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000155908662 525713268 /nfs/dbraw/zinc/71/32/68/525713268.db2.gz ZTXKYWYRRDPXNG-NEPJUHHUSA-N 1 2 273.336 2.224 10 0 CEAELO C[C@@]([NH3+])(c1nc(C[C@@H]2CCCO2)no1)c1ccccc1 ZINC000052879353 525752220 /nfs/dbraw/zinc/75/22/20/525752220.db2.gz WXDCVUIUTHERII-WFASDCNBSA-N 1 2 273.336 2.013 10 0 CEAELO NC(=O)[C@@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000061630298 526964425 /nfs/dbraw/zinc/96/44/25/526964425.db2.gz ODFJBBQOPPWJHI-MRVPVSSYSA-N 1 2 288.178 2.086 10 0 CEAELO NC(=O)[C@@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000061630298 526964432 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/nfs/dbraw/zinc/10/23/43/368102343.db2.gz GNKNVLIJKBMXFM-AWEZNQCLSA-N 1 2 287.411 2.443 10 0 CEAELO CC(C)c1nc([C@H]2CCC[N@@H+]2CC[C@H]2CCOC2=O)no1 ZINC000246338684 370948164 /nfs/dbraw/zinc/94/81/64/370948164.db2.gz FCRYPYQMDMEZQB-NWDGAFQWSA-N 1 2 293.367 2.283 10 0 CEAELO CC(C)c1nc([C@H]2CCC[N@H+]2CC[C@H]2CCOC2=O)no1 ZINC000246338684 370948168 /nfs/dbraw/zinc/94/81/68/370948168.db2.gz FCRYPYQMDMEZQB-NWDGAFQWSA-N 1 2 293.367 2.283 10 0 CEAELO CCC[C@H]1CCCCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000185365139 368797096 /nfs/dbraw/zinc/79/70/96/368797096.db2.gz FZVFZMUOFMPSDU-CABCVRRESA-N 1 2 297.443 2.071 10 0 CEAELO CCC[C@@H]1CCCCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000185365120 368797164 /nfs/dbraw/zinc/79/71/64/368797164.db2.gz FZVFZMUOFMPSDU-HUUCEWRRSA-N 1 2 297.443 2.071 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccccc1Br ZINC000189102100 369457746 /nfs/dbraw/zinc/45/77/46/369457746.db2.gz AZMNXLMFEFFTMN-SNVBAGLBSA-N 1 2 297.196 2.160 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccccc1Br ZINC000189102100 369457749 /nfs/dbraw/zinc/45/77/49/369457749.db2.gz AZMNXLMFEFFTMN-SNVBAGLBSA-N 1 2 297.196 2.160 10 0 CEAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194929645 370087895 /nfs/dbraw/zinc/08/78/95/370087895.db2.gz YUKQIDFRLZYMEG-IINYFYTJSA-N 1 2 272.352 2.478 10 0 CEAELO O=C(NCC(C1CCC1)C1CCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000638456866 370545298 /nfs/dbraw/zinc/54/52/98/370545298.db2.gz PMYVFRXEEQBHOS-ZDUSSCGKSA-N 1 2 286.366 2.316 10 0 CEAELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000186358678 284232430 /nfs/dbraw/zinc/23/24/30/284232430.db2.gz HRKFYVFUMILXFO-QGZVFWFLSA-N 1 2 299.374 2.466 10 0 CEAELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000186358678 284232437 /nfs/dbraw/zinc/23/24/37/284232437.db2.gz HRKFYVFUMILXFO-QGZVFWFLSA-N 1 2 299.374 2.466 10 0 CEAELO CC[C@H](O)C[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000247593447 371128593 /nfs/dbraw/zinc/12/85/93/371128593.db2.gz JWJYPPPICRIEIR-QWRGUYRKSA-N 1 2 253.346 2.101 10 0 CEAELO CC[C@H](O)C[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000247593447 371128598 /nfs/dbraw/zinc/12/85/98/371128598.db2.gz JWJYPPPICRIEIR-QWRGUYRKSA-N 1 2 253.346 2.101 10 0 CEAELO CCc1nnc([C@H]2C[N@H+](C/C=C\c3ccccc3)CCO2)[nH]1 ZINC000255224708 371567941 /nfs/dbraw/zinc/56/79/41/371567941.db2.gz IOSIUYBTHKXATP-WUKHSURWSA-N 1 2 298.390 2.454 10 0 CEAELO CCc1nnc([C@H]2C[N@@H+](C/C=C\c3ccccc3)CCO2)[nH]1 ZINC000255224708 371567949 /nfs/dbraw/zinc/56/79/49/371567949.db2.gz IOSIUYBTHKXATP-WUKHSURWSA-N 1 2 298.390 2.454 10 0 CEAELO CCc1nnc([C@@H]2C[N@H+](C/C=C\c3ccccc3)CCO2)[nH]1 ZINC000255224705 371568272 /nfs/dbraw/zinc/56/82/72/371568272.db2.gz IOSIUYBTHKXATP-AJHXJQRKSA-N 1 2 298.390 2.454 10 0 CEAELO CCc1nnc([C@@H]2C[N@@H+](C/C=C\c3ccccc3)CCO2)[nH]1 ZINC000255224705 371568280 /nfs/dbraw/zinc/56/82/80/371568280.db2.gz IOSIUYBTHKXATP-AJHXJQRKSA-N 1 2 298.390 2.454 10 0 CEAELO O[C@]12CCCC[C@@H]1CN(c1cc[nH+]cc1F)CC2 ZINC000641443804 372502052 /nfs/dbraw/zinc/50/20/52/372502052.db2.gz LYUVFVOTTSVJMP-RISCZKNCSA-N 1 2 250.317 2.352 10 0 CEAELO O[C@]12CCCC[C@H]1CN(c1cc[nH+]cc1F)CC2 ZINC000641443803 372502117 /nfs/dbraw/zinc/50/21/17/372502117.db2.gz LYUVFVOTTSVJMP-FZMZJTMJSA-N 1 2 250.317 2.352 10 0 CEAELO C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000333328523 205222105 /nfs/dbraw/zinc/22/21/05/205222105.db2.gz MGTVTEWAKFCRSJ-NFAWXSAZSA-N 1 2 289.379 2.433 10 0 CEAELO Cn1ncc2c1nc(N[C@H]1CCc3ccccc31)[nH+]c2N ZINC000278367594 374794384 /nfs/dbraw/zinc/79/43/84/374794384.db2.gz KSFWLFONVFUIEY-LBPRGKRZSA-N 1 2 280.335 2.045 10 0 CEAELO CCCc1cc(=O)[nH]c(SCc2[nH+]ccn2CC)n1 ZINC000083090544 249300362 /nfs/dbraw/zinc/30/03/62/249300362.db2.gz TYQPKMBCYNOUAF-UHFFFAOYSA-N 1 2 278.381 2.231 10 0 CEAELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000296185813 378445636 /nfs/dbraw/zinc/44/56/36/378445636.db2.gz LMFQUZNSRIALIU-VHSXEESVSA-N 1 2 279.365 2.143 10 0 CEAELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000296185813 378445640 /nfs/dbraw/zinc/44/56/40/378445640.db2.gz LMFQUZNSRIALIU-VHSXEESVSA-N 1 2 279.365 2.143 10 0 CEAELO CCC[C@@H]1C[C@@H]1Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000267600913 190340194 /nfs/dbraw/zinc/34/01/94/190340194.db2.gz FMJBTDYOPDABQS-UPJWGTAASA-N 1 2 276.384 2.038 10 0 CEAELO CCC[C@@H]1C[C@@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000267600913 190340195 /nfs/dbraw/zinc/34/01/95/190340195.db2.gz FMJBTDYOPDABQS-UPJWGTAASA-N 1 2 276.384 2.038 10 0 CEAELO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000186733209 542311696 /nfs/dbraw/zinc/31/16/96/542311696.db2.gz VLBDNFOLKNYBJX-JTQLQIEISA-N 1 2 277.755 2.493 10 0 CEAELO CC(C)c1nc(N2CC[N@H+](C)[C@@H](C)C2)sc1C=O ZINC000093000998 184642209 /nfs/dbraw/zinc/64/22/09/184642209.db2.gz UWFDXPRDGSFWDW-JTQLQIEISA-N 1 2 267.398 2.219 10 0 CEAELO CC(C)c1nc(N2CC[N@@H+](C)[C@@H](C)C2)sc1C=O ZINC000093000998 184642210 /nfs/dbraw/zinc/64/22/10/184642210.db2.gz UWFDXPRDGSFWDW-JTQLQIEISA-N 1 2 267.398 2.219 10 0 CEAELO C[C@H](COCc1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193380686 542354768 /nfs/dbraw/zinc/35/47/68/542354768.db2.gz CGKFULCFKWYNBI-CYBMUJFWSA-N 1 2 287.363 2.064 10 0 CEAELO C[C@H](COCc1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193380686 542354772 /nfs/dbraw/zinc/35/47/72/542354772.db2.gz CGKFULCFKWYNBI-CYBMUJFWSA-N 1 2 287.363 2.064 10 0 CEAELO CCOC(=O)[C@H](C)c1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000093232670 184657193 /nfs/dbraw/zinc/65/71/93/184657193.db2.gz PYJUIGGOEAKGGJ-SECBINFHSA-N 1 2 290.319 2.391 10 0 CEAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)c2nc(C)cs2)c1N ZINC000080330080 177642293 /nfs/dbraw/zinc/64/22/93/177642293.db2.gz PPTQAIJVTIFFJD-QMMMGPOBSA-N 1 2 294.380 2.325 10 0 CEAELO Cc1ccc(Nc2cc(C(N)=S)ccn2)c(C)[nH+]1 ZINC000094666260 184837655 /nfs/dbraw/zinc/83/76/55/184837655.db2.gz GBYAFSGTFJXTQU-UHFFFAOYSA-N 1 2 258.350 2.471 10 0 CEAELO CC(C)CC1(CNC(=O)c2ccc(NN)[nH+]n2)CCCC1 ZINC000094884830 184887403 /nfs/dbraw/zinc/88/74/03/184887403.db2.gz IOKPHTIEVRIISD-UHFFFAOYSA-N 1 2 291.399 2.099 10 0 CEAELO Cc1ccc(N)c(N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000084646759 135033829 /nfs/dbraw/zinc/03/38/29/135033829.db2.gz OFCPAFWIJIPECX-UHFFFAOYSA-N 1 2 268.364 2.299 10 0 CEAELO C[C@H]1CSCCN1c1nc[nH+]c2cc(N)ccc21 ZINC000087821422 135051616 /nfs/dbraw/zinc/05/16/16/135051616.db2.gz YOJFDYVHWVUIQQ-VIFPVBQESA-N 1 2 260.366 2.154 10 0 CEAELO NC(=S)c1cc(N2CCC(C(F)(F)F)CC2)cc[nH+]1 ZINC000088422802 135054604 /nfs/dbraw/zinc/05/46/04/135054604.db2.gz XEEDPOOSSDADEM-UHFFFAOYSA-N 1 2 289.326 2.495 10 0 CEAELO OC[C@@H]1CCCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000090804264 135065826 /nfs/dbraw/zinc/06/58/26/135065826.db2.gz DPWUWNATUKUILA-JTQLQIEISA-N 1 2 260.259 2.452 10 0 CEAELO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@@H]1CCCC1=O ZINC000306789646 394518142 /nfs/dbraw/zinc/51/81/42/394518142.db2.gz UCWQXVFXCCHQGS-GDBMZVCRSA-N 1 2 272.392 2.314 10 0 CEAELO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1[C@@H]1CCCC1=O ZINC000306789646 394518143 /nfs/dbraw/zinc/51/81/43/394518143.db2.gz UCWQXVFXCCHQGS-GDBMZVCRSA-N 1 2 272.392 2.314 10 0 CEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC2(C1)CCCCC2 ZINC000263183231 394627479 /nfs/dbraw/zinc/62/74/79/394627479.db2.gz GZHJRHBLCRADQY-NSHDSACASA-N 1 2 272.339 2.166 10 0 CEAELO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCCn2ncnc21 ZINC000190942922 296608666 /nfs/dbraw/zinc/60/86/66/296608666.db2.gz KVLBDQZTLPUKFY-NWDGAFQWSA-N 1 2 258.325 2.373 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000189342351 153090371 /nfs/dbraw/zinc/09/03/71/153090371.db2.gz USFRFQCZULICMW-GFCCVEGCSA-N 1 2 285.347 2.052 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000189342351 153090375 /nfs/dbraw/zinc/09/03/75/153090375.db2.gz USFRFQCZULICMW-GFCCVEGCSA-N 1 2 285.347 2.052 10 0 CEAELO Cc1cc2[nH+]cn(Cc3nnnn3C(C)C)c2cc1C ZINC000189441674 153095793 /nfs/dbraw/zinc/09/57/93/153095793.db2.gz GASFFSTUSCBMRQ-UHFFFAOYSA-N 1 2 270.340 2.269 10 0 CEAELO CN(C)c1noc(C[N@@H+]2CCC[C@H]2c2ccco2)n1 ZINC000192721940 153214731 /nfs/dbraw/zinc/21/47/31/153214731.db2.gz CVCFVFJTAKPOMI-JTQLQIEISA-N 1 2 262.313 2.066 10 0 CEAELO CN(C)c1noc(C[N@H+]2CCC[C@H]2c2ccco2)n1 ZINC000192721940 153214736 /nfs/dbraw/zinc/21/47/36/153214736.db2.gz CVCFVFJTAKPOMI-JTQLQIEISA-N 1 2 262.313 2.066 10 0 CEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(c2ccccc2)CC1 ZINC000263028819 154009306 /nfs/dbraw/zinc/00/93/06/154009306.db2.gz RPRUKRXRTBOPCU-AWEZNQCLSA-N 1 2 294.345 2.390 10 0 CEAELO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263307528 154056497 /nfs/dbraw/zinc/05/64/97/154056497.db2.gz YDHKFSJZRYTJHS-MRVWCRGKSA-N 1 2 294.345 2.388 10 0 CEAELO Cc1ccc2c(I)[nH+]cn2c1 ZINC000095831222 292303385 /nfs/dbraw/zinc/30/33/85/292303385.db2.gz ZULFXMBEADGUBO-UHFFFAOYSA-N 1 2 258.062 2.247 10 0 CEAELO C[C@@H](NC(=O)c1csnn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173919097 165088747 /nfs/dbraw/zinc/08/87/47/165088747.db2.gz TVKNHGQDUSOVRT-SNVBAGLBSA-N 1 2 299.359 2.215 10 0 CEAELO OCc1cc(Br)ccc1OCCn1cc[nH+]c1 ZINC000020483079 171223286 /nfs/dbraw/zinc/22/32/86/171223286.db2.gz ZVVSDYIEXMHGEI-UHFFFAOYSA-N 1 2 297.152 2.217 10 0 CEAELO [NH3+][C@H](c1nc(-c2ccccn2)no1)c1ccccc1 ZINC000021808088 171328146 /nfs/dbraw/zinc/32/81/46/171328146.db2.gz LYNDQIGNUUBYDR-LBPRGKRZSA-N 1 2 252.277 2.180 10 0 CEAELO [NH3+][C@@H](c1nc(-c2ccccn2)no1)c1ccccc1 ZINC000021808090 171328383 /nfs/dbraw/zinc/32/83/83/171328383.db2.gz LYNDQIGNUUBYDR-GFCCVEGCSA-N 1 2 252.277 2.180 10 0 CEAELO Nc1cc(NC(=O)CCn2cc[nH+]c2)ccc1Cl ZINC000022221100 171377745 /nfs/dbraw/zinc/37/77/45/171377745.db2.gz VXPROMSRPZHYLH-UHFFFAOYSA-N 1 2 264.716 2.148 10 0 CEAELO CCS(=O)(=O)Nc1nc(-c2ccc(C[NH3+])cc2)cs1 ZINC000036284148 172578305 /nfs/dbraw/zinc/57/83/05/172578305.db2.gz BMIZBZUTQAFACY-UHFFFAOYSA-N 1 2 297.405 2.030 10 0 CEAELO CNc1[nH+]cnc(Nc2cccc(C(C)=O)c2)c1N ZINC000040705155 174379738 /nfs/dbraw/zinc/37/97/38/174379738.db2.gz XBWDLOHAAOTVRJ-UHFFFAOYSA-N 1 2 257.297 2.047 10 0 CEAELO CNc1nc[nH+]c(Nc2cccc(C(C)=O)c2)c1N ZINC000040705155 174379739 /nfs/dbraw/zinc/37/97/39/174379739.db2.gz XBWDLOHAAOTVRJ-UHFFFAOYSA-N 1 2 257.297 2.047 10 0 CEAELO CCCNc1[nH+]cnc(Nc2ccc(C)cn2)c1N ZINC000040707906 174380367 /nfs/dbraw/zinc/38/03/67/174380367.db2.gz VMWQIHWBSUYEBM-UHFFFAOYSA-N 1 2 258.329 2.328 10 0 CEAELO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000055010026 414752800 /nfs/dbraw/zinc/75/28/00/414752800.db2.gz CKVSUNCTSHVHJR-CVEARBPZSA-N 1 2 299.374 2.167 10 0 CEAELO CN[C@@H](C[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000043902564 175122469 /nfs/dbraw/zinc/12/24/69/175122469.db2.gz JWWREEIZCRYYHF-JSGCOSHPSA-N 1 2 276.380 2.203 10 0 CEAELO CN[C@@H](C[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000043902564 175122470 /nfs/dbraw/zinc/12/24/70/175122470.db2.gz JWWREEIZCRYYHF-JSGCOSHPSA-N 1 2 276.380 2.203 10 0 CEAELO CCC[NH2+][C@](C)(CN(C)c1ccccc1)C(=O)OCC ZINC000045227602 175333729 /nfs/dbraw/zinc/33/37/29/175333729.db2.gz UNSDJBHRSXOBGF-MRXNPFEDSA-N 1 2 278.396 2.444 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231097 175334971 /nfs/dbraw/zinc/33/49/71/175334971.db2.gz OGLJVQQRPJZCRI-CQSZACIVSA-N 1 2 256.390 2.092 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231097 175334972 /nfs/dbraw/zinc/33/49/72/175334972.db2.gz OGLJVQQRPJZCRI-CQSZACIVSA-N 1 2 256.390 2.092 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265779 175339411 /nfs/dbraw/zinc/33/94/11/175339411.db2.gz OSQQXZCQWXQVDU-GXTWGEPZSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265779 175339412 /nfs/dbraw/zinc/33/94/12/175339412.db2.gz OSQQXZCQWXQVDU-GXTWGEPZSA-N 1 2 256.390 2.094 10 0 CEAELO CC(C)C[NH+](CC(C)C)C[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045273750 175344008 /nfs/dbraw/zinc/34/40/08/175344008.db2.gz FQJFDTBFXGWHLO-HNNXBMFYSA-N 1 2 272.433 2.442 10 0 CEAELO O=[S@]1CC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000070674388 176000787 /nfs/dbraw/zinc/00/07/87/176000787.db2.gz IVPXHWAAWVXZOX-MEBBXXQBSA-N 1 2 264.177 2.386 10 0 CEAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1Cc1[nH+]ccn1C ZINC000071274953 176106057 /nfs/dbraw/zinc/10/60/57/176106057.db2.gz JNTLFMLHHBQBHH-UHFFFAOYSA-N 1 2 284.319 2.079 10 0 CEAELO CC(C)CC(=O)NCCc1cn2cc(F)ccc2[nH+]1 ZINC000071489962 176190112 /nfs/dbraw/zinc/19/01/12/176190112.db2.gz CCLRILGVXUEVEQ-UHFFFAOYSA-N 1 2 263.316 2.178 10 0 CEAELO Cc1cc(N2CCC[C@H]2c2nccnc2C)nc[nH+]1 ZINC000072385505 176389988 /nfs/dbraw/zinc/38/99/88/176389988.db2.gz IATPHXQHWQTOHY-LBPRGKRZSA-N 1 2 255.325 2.225 10 0 CEAELO CCCS(=O)(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000074829851 176620820 /nfs/dbraw/zinc/62/08/20/176620820.db2.gz WSQRAVLJIGBFMG-UHFFFAOYSA-N 1 2 265.338 2.228 10 0 CEAELO C[NH2+]CC(=O)OCCc1ccc(Cl)c(Cl)c1 ZINC000076352122 176996658 /nfs/dbraw/zinc/99/66/58/176996658.db2.gz ZHLYNRLXINMTAJ-UHFFFAOYSA-N 1 2 262.136 2.299 10 0 CEAELO CC(C)c1ccc(C(=O)N(C)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000074774604 419410970 /nfs/dbraw/zinc/41/09/70/419410970.db2.gz JJXCRFKVNFFXHH-MRXNPFEDSA-N 1 2 290.407 2.213 10 0 CEAELO CC(C)c1ccc(C(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000074774604 419410984 /nfs/dbraw/zinc/41/09/84/419410984.db2.gz JJXCRFKVNFFXHH-MRXNPFEDSA-N 1 2 290.407 2.213 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1CCOCC(F)(F)C(F)(F)F ZINC000189376901 270261310 /nfs/dbraw/zinc/26/13/10/270261310.db2.gz QSHQYCJASRFCGG-DTORHVGOSA-N 1 2 291.260 2.310 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CCOCC(F)(F)C(F)(F)F ZINC000189376901 270261311 /nfs/dbraw/zinc/26/13/11/270261311.db2.gz QSHQYCJASRFCGG-DTORHVGOSA-N 1 2 291.260 2.310 10 0 CEAELO COC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000048142398 277075987 /nfs/dbraw/zinc/07/59/87/277075987.db2.gz GBLQSKBSJIVCLL-QMTHXVAHSA-N 1 2 263.337 2.224 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)c1cnccn1)C2 ZINC000184534853 278075807 /nfs/dbraw/zinc/07/58/07/278075807.db2.gz OHSAKJZBTTWKTD-GFCCVEGCSA-N 1 2 285.395 2.453 10 0 CEAELO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCNC(=O)[C@H]2C)o1 ZINC000249084238 280383000 /nfs/dbraw/zinc/38/30/00/280383000.db2.gz SYQFVEAVIGLMTO-WZRBSPASSA-N 1 2 262.353 2.113 10 0 CEAELO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCCNC(=O)[C@H]2C)o1 ZINC000249084238 280383002 /nfs/dbraw/zinc/38/30/02/280383002.db2.gz SYQFVEAVIGLMTO-WZRBSPASSA-N 1 2 262.353 2.113 10 0 CEAELO Nc1ccc(NC(=O)c2ccc(Br)o2)c[nH+]1 ZINC000061680451 527492976 /nfs/dbraw/zinc/49/29/76/527492976.db2.gz YSCGDGFDAUNJHA-UHFFFAOYSA-N 1 2 282.097 2.272 10 0 CEAELO Cn1c2c([nH+]c1[C@H]1CCCN1c1ncccn1)CCCC2 ZINC000275567067 302900336 /nfs/dbraw/zinc/90/03/36/302900336.db2.gz INLOOQOLLVQDFG-CQSZACIVSA-N 1 2 283.379 2.430 10 0 CEAELO Fc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cn1 ZINC000250112572 303130087 /nfs/dbraw/zinc/13/00/87/303130087.db2.gz TVNQSDREMWHGDM-OLZOCXBDSA-N 1 2 250.317 2.364 10 0 CEAELO Fc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cn1 ZINC000250112572 303130088 /nfs/dbraw/zinc/13/00/88/303130088.db2.gz TVNQSDREMWHGDM-OLZOCXBDSA-N 1 2 250.317 2.364 10 0 CEAELO c1cc2n(n1)[C@@H](COc1cccnc1)C[N@@H+](C1CCC1)C2 ZINC000253596747 333185764 /nfs/dbraw/zinc/18/57/64/333185764.db2.gz VORQVUNXIURLLI-OAHLLOKOSA-N 1 2 284.363 2.266 10 0 CEAELO c1cc2n(n1)[C@@H](COc1cccnc1)C[N@H+](C1CCC1)C2 ZINC000253596747 333185765 /nfs/dbraw/zinc/18/57/65/333185765.db2.gz VORQVUNXIURLLI-OAHLLOKOSA-N 1 2 284.363 2.266 10 0 CEAELO CCC[NH2+][C@@H](CCSc1cc(C)nn1C)C(=O)OCC ZINC000062603123 520006932 /nfs/dbraw/zinc/00/69/32/520006932.db2.gz KIMBRNARURSHOM-LBPRGKRZSA-N 1 2 299.440 2.142 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](CC)[C@@H](C)CC)(C(=O)[O-])C1CC1 ZINC000069097582 520053617 /nfs/dbraw/zinc/05/36/17/520053617.db2.gz MTVXHBVIXUWZNW-SWLSCSKDSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](CC)[C@@H](C)CC)(C(=O)[O-])C1CC1 ZINC000069097582 520053628 /nfs/dbraw/zinc/05/36/28/520053628.db2.gz MTVXHBVIXUWZNW-SWLSCSKDSA-N 1 2 270.417 2.340 10 0 CEAELO CC[NH2+][C@@](C[N@H+](CC(C)C)C(C)C)(C(=O)[O-])C1CC1 ZINC000069147064 520152512 /nfs/dbraw/zinc/15/25/12/520152512.db2.gz IOBKUJSUAYWGML-OAHLLOKOSA-N 1 2 270.417 2.196 10 0 CEAELO CC[NH2+][C@@](C[N@@H+](CC(C)C)C(C)C)(C(=O)[O-])C1CC1 ZINC000069147064 520152521 /nfs/dbraw/zinc/15/25/21/520152521.db2.gz IOBKUJSUAYWGML-OAHLLOKOSA-N 1 2 270.417 2.196 10 0 CEAELO CCCNc1snnc1C[N@@H+]1CCCSCC1 ZINC000050817849 520204509 /nfs/dbraw/zinc/20/45/09/520204509.db2.gz OLUWZAJVDUEROJ-UHFFFAOYSA-N 1 2 272.443 2.299 10 0 CEAELO CCCNc1snnc1C[N@H+]1CCCSCC1 ZINC000050817849 520204514 /nfs/dbraw/zinc/20/45/14/520204514.db2.gz OLUWZAJVDUEROJ-UHFFFAOYSA-N 1 2 272.443 2.299 10 0 CEAELO CCOC(=O)C=C(O)C[NH+]1CCC2(CCCC2)CC1 ZINC000068814756 520590886 /nfs/dbraw/zinc/59/08/86/520590886.db2.gz QIZBJNUZYLKVQS-UHFFFAOYSA-N 1 2 267.369 2.165 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccccc1)[NH2+]C(C)C ZINC000062550147 521247559 /nfs/dbraw/zinc/24/75/59/521247559.db2.gz SYCKPEFNNPAJII-AWEZNQCLSA-N 1 2 265.353 2.385 10 0 CEAELO COC(=O)c1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000411129010 533804945 /nfs/dbraw/zinc/80/49/45/533804945.db2.gz SMQVWKSBPHMHIZ-NXEZZACHSA-N 1 2 269.366 2.144 10 0 CEAELO CC[C@@H](C)c1ccccc1OC[C@H]([NH3+])C(=O)OC ZINC000045519801 522435851 /nfs/dbraw/zinc/43/58/51/522435851.db2.gz KYEQLLWFFSFUST-PWSUYJOCSA-N 1 2 251.326 2.079 10 0 CEAELO CCC[NH2+][C@H](CCN1c2ccccc2C[C@@H]1C)C(=O)OC ZINC000062437340 520077131 /nfs/dbraw/zinc/07/71/31/520077131.db2.gz BPVHYAZJXKFDGC-DZGCQCFKSA-N 1 2 290.407 2.369 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccccc1F)C(=O)OCC ZINC000062549044 520095805 /nfs/dbraw/zinc/09/58/05/520095805.db2.gz NYVFYGHPQSSXFX-LBPRGKRZSA-N 1 2 269.316 2.136 10 0 CEAELO CCC[NH2+][C@](Cn1nc(C)cc1C)(C(=O)OCC)C1CC1 ZINC000069192100 520127921 /nfs/dbraw/zinc/12/79/21/520127921.db2.gz HZKUFBLMQMSVKG-INIZCTEOSA-N 1 2 293.411 2.211 10 0 CEAELO CCCNc1ccc(CN2C(=O)CCCCC2=O)c[nH+]1 ZINC000050829488 520155586 /nfs/dbraw/zinc/15/55/86/520155586.db2.gz LYFSDBQZKVNDBG-UHFFFAOYSA-N 1 2 275.352 2.333 10 0 CEAELO CC[NH2+][C@H](CCOc1ccc(F)c(F)c1)C(=O)OCC ZINC000062595058 520192568 /nfs/dbraw/zinc/19/25/68/520192568.db2.gz DYTJJVAIRKJEAX-CYBMUJFWSA-N 1 2 287.306 2.275 10 0 CEAELO CC[NH2+][C@H](CCOc1ccc(F)cc1F)C(=O)OCC ZINC000062547042 520192659 /nfs/dbraw/zinc/19/26/59/520192659.db2.gz MIYTUEVEFKPCNX-GFCCVEGCSA-N 1 2 287.306 2.275 10 0 CEAELO CC[NH2+][C@H](CCSc1ccccn1)C(=O)OCC ZINC000062599257 520195004 /nfs/dbraw/zinc/19/50/04/520195004.db2.gz OFMUNNRTEABCET-LLVKDONJSA-N 1 2 268.382 2.105 10 0 CEAELO CC[NH2+][C@](C)(Cn1c(CC)nc2ccccc21)C(=O)OC ZINC000062807968 520242855 /nfs/dbraw/zinc/24/28/55/520242855.db2.gz FOLRAWNAPGNGRE-MRXNPFEDSA-N 1 2 289.379 2.140 10 0 CEAELO CCNc1ccc(COc2ccc(C(N)=O)cc2)c[nH+]1 ZINC000050832694 520303540 /nfs/dbraw/zinc/30/35/40/520303540.db2.gz OJDVXWWDHGHVQW-UHFFFAOYSA-N 1 2 271.320 2.191 10 0 CEAELO CCNc1ccc(CSCCC(=O)OC)c[nH+]1 ZINC000050838469 520304749 /nfs/dbraw/zinc/30/47/49/520304749.db2.gz NSLGWNFOCWQBJD-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO CCOC(=O)[C@@H](CCOc1cccc2cccnc21)[NH2+]C ZINC000062545752 521062004 /nfs/dbraw/zinc/06/20/04/521062004.db2.gz SCTZBRGBWCQJMJ-CYBMUJFWSA-N 1 2 288.347 2.155 10 0 CEAELO CCOC(=O)[C@@](CN(C)c1cccc(F)c1)([NH2+]C)C1CC1 ZINC000069231511 521167642 /nfs/dbraw/zinc/16/76/42/521167642.db2.gz JYXUOSWSPRBBOM-INIZCTEOSA-N 1 2 294.370 2.193 10 0 CEAELO CCOC(=O)[C@@](CO[C@H](C)CC)([NH2+]C1CC1)C1CC1 ZINC000069198242 521169023 /nfs/dbraw/zinc/16/90/23/521169023.db2.gz BPBDFEDLNLMXLE-ABAIWWIYSA-N 1 2 269.385 2.265 10 0 CEAELO CCOC(=O)[C@H](CCN1CCCc2cc(C)ccc21)[NH2+]C ZINC000062438489 521244617 /nfs/dbraw/zinc/24/46/17/521244617.db2.gz ZAHZEYKQIFBRAM-HNNXBMFYSA-N 1 2 290.407 2.289 10 0 CEAELO CCOC(=O)[C@](C)(CCOc1cccc(F)c1F)[NH2+]C ZINC000062653317 521319108 /nfs/dbraw/zinc/31/91/08/521319108.db2.gz CGDBQMFXZXQWRY-AWEZNQCLSA-N 1 2 287.306 2.275 10 0 CEAELO CCOC(=O)[C@](CO[C@@H](C)CC)([NH2+]C1CC1)C1CC1 ZINC000069198240 521343894 /nfs/dbraw/zinc/34/38/94/521343894.db2.gz BPBDFEDLNLMXLE-XHDPSFHLSA-N 1 2 269.385 2.265 10 0 CEAELO CCC(CC)N1N=C(C(C)(C)C)[C@H](CC[NH3+])C1=O ZINC000069506562 521568566 /nfs/dbraw/zinc/56/85/66/521568566.db2.gz KRUALEKBIPCBRB-NSHDSACASA-N 1 2 253.390 2.384 10 0 CEAELO CCC(CC)n1[nH]c(C(C)(C)C)c(CC[NH3+])c1=O ZINC000069506562 521568573 /nfs/dbraw/zinc/56/85/73/521568573.db2.gz KRUALEKBIPCBRB-NSHDSACASA-N 1 2 253.390 2.384 10 0 CEAELO CCCn1c(C)nnc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000155396563 521622812 /nfs/dbraw/zinc/62/28/12/521622812.db2.gz XETURSGYOPCWRF-UHFFFAOYSA-N 1 2 288.399 2.099 10 0 CEAELO CCCN(c1nc(Cl)nc(-n2cc[nH+]c2)n1)C1CC1 ZINC000061537081 521697822 /nfs/dbraw/zinc/69/78/22/521697822.db2.gz NDBIJPBQAFHWDT-UHFFFAOYSA-N 1 2 278.747 2.090 10 0 CEAELO C[NH2+][C@@](COc1ccc(C)cc1C)(C(=O)OC)C1CC1 ZINC000069197014 522430007 /nfs/dbraw/zinc/43/00/07/522430007.db2.gz ZXTNHYHSBUXUPA-MRXNPFEDSA-N 1 2 277.364 2.223 10 0 CEAELO CCc1[nH+]c2ccccc2n1CCC[C@](C)([NH3+])C(=O)[O-] ZINC000062808027 522501699 /nfs/dbraw/zinc/50/16/99/522501699.db2.gz DVBKFASYXAITBA-HNNXBMFYSA-N 1 2 275.352 2.181 10 0 CEAELO CCc1nc2ccccc2n1CC[C@](C)([NH2+]C)C(=O)OC ZINC000062807987 522504380 /nfs/dbraw/zinc/50/43/80/522504380.db2.gz VFPBLINXIBRJOR-INIZCTEOSA-N 1 2 289.379 2.140 10 0 CEAELO CCc1[nH+]c2ccccc2n1[C@H](C)C[C@](C)([NH3+])C(=O)[O-] ZINC000068650225 522506588 /nfs/dbraw/zinc/50/65/88/522506588.db2.gz GPFXYOMXENAZNQ-BMIGLBTASA-N 1 2 275.352 2.352 10 0 CEAELO CNc1ccc(Cl)c(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000061638433 522621867 /nfs/dbraw/zinc/62/18/67/522621867.db2.gz UVTLZCYTMOYBJE-SNVBAGLBSA-N 1 2 269.776 2.388 10 0 CEAELO CNc1ccc(Cl)c(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000061638433 522621859 /nfs/dbraw/zinc/62/18/59/522621859.db2.gz UVTLZCYTMOYBJE-SNVBAGLBSA-N 1 2 269.776 2.388 10 0 CEAELO CNc1ccc(Cl)cc1C(=O)NCCc1[nH+]ccn1C ZINC000050787100 522626884 /nfs/dbraw/zinc/62/68/84/522626884.db2.gz JVSSLCZRNSZFAT-UHFFFAOYSA-N 1 2 292.770 2.088 10 0 CEAELO CNc1nc2ccccc2cc1C[N@@H+]1CCOC[C@H]1C ZINC000050813595 522691032 /nfs/dbraw/zinc/69/10/32/522691032.db2.gz NQCUSZFQLXVKTN-GFCCVEGCSA-N 1 2 271.364 2.497 10 0 CEAELO CNc1nc2ccccc2cc1C[N@H+]1CCOC[C@H]1C ZINC000050813595 522691037 /nfs/dbraw/zinc/69/10/37/522691037.db2.gz NQCUSZFQLXVKTN-GFCCVEGCSA-N 1 2 271.364 2.497 10 0 CEAELO CNc1[nH+]cccc1CN1c2ccccc2O[C@H](C)C1=O ZINC000052733265 522709237 /nfs/dbraw/zinc/70/92/37/522709237.db2.gz OGEOGWTWANAKRL-LLVKDONJSA-N 1 2 283.331 2.437 10 0 CEAELO CC[C@@H]1CCCCN1c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061537034 523181389 /nfs/dbraw/zinc/18/13/89/523181389.db2.gz QVTIPSCSLNDCOV-SNVBAGLBSA-N 1 2 292.774 2.480 10 0 CEAELO CCn1cc[nH+]c1CNc1cc(S(C)(=O)=O)ccc1F ZINC000051922455 523541969 /nfs/dbraw/zinc/54/19/69/523541969.db2.gz YGEKDJIZCOHXSB-UHFFFAOYSA-N 1 2 297.355 2.058 10 0 CEAELO COC(=O)[C@](C)(C[C@@H](C)Sc1nccn1C)[NH2+]C(C)C ZINC000068632079 523999785 /nfs/dbraw/zinc/99/97/85/523999785.db2.gz VWAWKVAONWUFBY-RISCZKNCSA-N 1 2 299.440 2.221 10 0 CEAELO CSCCn1c2ccc(N)cc2[nH+]c1[C@@H](C)O ZINC000069444330 525603584 /nfs/dbraw/zinc/60/35/84/525603584.db2.gz PPPKUFSMUQBRMV-MRVPVSSYSA-N 1 2 251.355 2.035 10 0 CEAELO C[C@@H](Nc1cc[nH+]c(C(N)=S)c1)c1ccncc1 ZINC000061812536 525721498 /nfs/dbraw/zinc/72/14/98/525721498.db2.gz CCJDCCGRYWJENP-SECBINFHSA-N 1 2 258.350 2.284 10 0 CEAELO Cc1ccc(C(=O)[O-])c(N2CC[NH+](C(C)(C)C)CC2)[nH+]1 ZINC000054552297 526231498 /nfs/dbraw/zinc/23/14/98/526231498.db2.gz MFMHOKOKCPZLJZ-UHFFFAOYSA-N 1 2 277.368 2.009 10 0 CEAELO c1c2[nH]c([C@@H]3CCOC3)[nH+]c2cc2c1OCCCO2 ZINC000048628241 526402668 /nfs/dbraw/zinc/40/26/68/526402668.db2.gz ORYNJLXQZNIWBF-SECBINFHSA-N 1 2 260.293 2.228 10 0 CEAELO Clc1nc(Nc2ccccc2)nc(-n2cc[nH+]c2)n1 ZINC000061534290 527005918 /nfs/dbraw/zinc/00/59/18/527005918.db2.gz OVWDMJUZKPLGNI-UHFFFAOYSA-N 1 2 272.699 2.454 10 0 CEAELO Cc1ncc(CNc2[nH+]cccc2C(N)=S)s1 ZINC000049534731 527281989 /nfs/dbraw/zinc/28/19/89/527281989.db2.gz SEVMWCFALZKZTJ-UHFFFAOYSA-N 1 2 264.379 2.093 10 0 CEAELO [NH3+][C@H](c1noc(C2CC2)n1)c1cc(F)c(F)c(F)c1 ZINC000062720027 527393234 /nfs/dbraw/zinc/39/32/34/527393234.db2.gz PKKXDPVEROYTHZ-JTQLQIEISA-N 1 2 269.226 2.412 10 0 CEAELO Nc1ccc(Cl)c(C[N@H+](CCO)Cc2ccccc2)n1 ZINC000061631453 527485640 /nfs/dbraw/zinc/48/56/40/527485640.db2.gz MXOYLSOITRABPV-UHFFFAOYSA-N 1 2 291.782 2.312 10 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2.241 10 0 CEAELO CN1CCN(Cc2cccc(N)[nH+]2)c2ccccc21 ZINC000092370929 536416289 /nfs/dbraw/zinc/41/62/89/536416289.db2.gz SYBNWWREXSVVLV-UHFFFAOYSA-N 1 2 254.337 2.120 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(O)c1)C2 ZINC000220593515 538802724 /nfs/dbraw/zinc/80/27/24/538802724.db2.gz KKYYNJBQJYYRBS-JTQLQIEISA-N 1 2 271.320 2.167 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(O)c1)CC2 ZINC000220593515 538802728 /nfs/dbraw/zinc/80/27/28/538802728.db2.gz KKYYNJBQJYYRBS-JTQLQIEISA-N 1 2 271.320 2.167 10 0 CEAELO Cc1nc(C[C@H]2CCC[N@H+](Cn3cc[nH]c3=S)C2)no1 ZINC000173339987 639851137 /nfs/dbraw/zinc/85/11/37/639851137.db2.gz ULZICONQUDPLTB-LLVKDONJSA-N 1 2 293.396 2.149 10 0 CEAELO Cc1nc(C[C@H]2CCC[N@@H+](Cn3cc[nH]c3=S)C2)no1 ZINC000173339987 639851144 /nfs/dbraw/zinc/85/11/44/639851144.db2.gz ULZICONQUDPLTB-LLVKDONJSA-N 1 2 293.396 2.149 10 0 CEAELO Cc1cnc(=S)n(C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000132423944 652519830 /nfs/dbraw/zinc/51/98/30/652519830.db2.gz 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186358028 /nfs/dbraw/zinc/35/80/28/186358028.db2.gz GLZDQZXOMIJVEX-UHFFFAOYSA-N 1 2 287.363 2.321 10 0 CEAELO CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116293123 186706203 /nfs/dbraw/zinc/70/62/03/186706203.db2.gz PXWRCVYOTSDTDY-GFCCVEGCSA-N 1 2 271.382 2.241 10 0 CEAELO CCCS(=O)(=O)CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116293123 186706205 /nfs/dbraw/zinc/70/62/05/186706205.db2.gz PXWRCVYOTSDTDY-GFCCVEGCSA-N 1 2 271.382 2.241 10 0 CEAELO CCc1noc([C@@H](C)[N@H+](C)CCc2nccs2)n1 ZINC000157560750 188324759 /nfs/dbraw/zinc/32/47/59/188324759.db2.gz SBEQPGZHZGJZQS-SECBINFHSA-N 1 2 266.370 2.324 10 0 CEAELO CCc1noc([C@@H](C)[N@@H+](C)CCc2nccs2)n1 ZINC000157560750 188324760 /nfs/dbraw/zinc/32/47/60/188324760.db2.gz SBEQPGZHZGJZQS-SECBINFHSA-N 1 2 266.370 2.324 10 0 CEAELO CNc1nc(NCCC2CC2)[nH+]cc1Br ZINC000132971380 366184738 /nfs/dbraw/zinc/18/47/38/366184738.db2.gz DHDIKHQXQDSAKX-UHFFFAOYSA-N 1 2 271.162 2.493 10 0 CEAELO CCc1nnc(C[NH2+][C@H](C)c2ccsc2)n1C ZINC000669937296 540051220 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ZINC000038067987 174079888 /nfs/dbraw/zinc/07/98/88/174079888.db2.gz CMBQYEIDQDMDFM-LBPRGKRZSA-N 1 2 261.365 2.475 10 0 CEAELO CO[C@@H]1C[NH2+][C@H](c2nc(C)c(-c3ccccc3)[nH]2)C1 ZINC000040637907 174361654 /nfs/dbraw/zinc/36/16/54/174361654.db2.gz PKQUYUGRFRXHGZ-STQMWFEESA-N 1 2 257.337 2.435 10 0 CEAELO Cc1cc(C)n(-c2nc[nH+]c(NC(C)(C)C)c2N)n1 ZINC000040680772 174375337 /nfs/dbraw/zinc/37/53/37/174375337.db2.gz WFXBKYUYMFPENG-UHFFFAOYSA-N 1 2 260.345 2.072 10 0 CEAELO CCOC(=O)c1ccccc1Nc1nc[nH+]c(NC)c1N ZINC000040707156 174379685 /nfs/dbraw/zinc/37/96/85/174379685.db2.gz SZSGTQOZLVZNMR-UHFFFAOYSA-N 1 2 287.323 2.021 10 0 CEAELO CN(C)c1[nH+]cnc(Nc2cccc3ncccc32)c1N ZINC000040723585 174385970 /nfs/dbraw/zinc/38/59/70/174385970.db2.gz BNSIAJFVRBBDMN-UHFFFAOYSA-N 1 2 280.335 2.417 10 0 CEAELO CN(C)c1nc[nH+]c(Nc2cccc3ncccc32)c1N ZINC000040723585 174385972 /nfs/dbraw/zinc/38/59/72/174385972.db2.gz BNSIAJFVRBBDMN-UHFFFAOYSA-N 1 2 280.335 2.417 10 0 CEAELO O=Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC000043489095 175056427 /nfs/dbraw/zinc/05/64/27/175056427.db2.gz FDULQOFVRFIXQZ-UHFFFAOYSA-N 1 2 250.685 2.428 10 0 CEAELO Cc1cc(CNc2[nH+]c3c(cc2C(N)=S)CCC3)on1 ZINC000045009953 175289265 /nfs/dbraw/zinc/28/92/65/175289265.db2.gz QITZTYRNLFHRDR-UHFFFAOYSA-N 1 2 288.376 2.113 10 0 CEAELO CC[NH2+][C@@](C)(CCN(C)c1ccccc1)C(=O)OCC ZINC000045227713 175333410 /nfs/dbraw/zinc/33/34/10/175333410.db2.gz FMAXIIMYPAPLBU-INIZCTEOSA-N 1 2 278.396 2.444 10 0 CEAELO CC[C@H]1CCC[C@]([NH2+]C[C@@H]2CCCO2)(C(=O)OC)C1 ZINC000071125703 176035709 /nfs/dbraw/zinc/03/57/09/176035709.db2.gz DHZOMPDFHBBUOK-KCQAQPDRSA-N 1 2 269.385 2.267 10 0 CEAELO CC[C@H]1C[N@H+](Cc2ccc(F)cc2C(N)=S)CCO1 ZINC000071265794 176099202 /nfs/dbraw/zinc/09/92/02/176099202.db2.gz UVQMJEFOUINAAC-LBPRGKRZSA-N 1 2 282.384 2.071 10 0 CEAELO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2C(N)=S)CCO1 ZINC000071265794 176099204 /nfs/dbraw/zinc/09/92/04/176099204.db2.gz UVQMJEFOUINAAC-LBPRGKRZSA-N 1 2 282.384 2.071 10 0 CEAELO Cc1ccc2[nH+]c(CCNC(=O)CC(C)C)cn2c1 ZINC000071490503 176190573 /nfs/dbraw/zinc/19/05/73/176190573.db2.gz VKQVXKNXKFOARF-UHFFFAOYSA-N 1 2 259.353 2.348 10 0 CEAELO COC(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000072233624 176344630 /nfs/dbraw/zinc/34/46/30/176344630.db2.gz JYPQRTNZYVAOJR-KCJUWKMLSA-N 1 2 290.146 2.276 10 0 CEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(C2CCC2)CC1 ZINC000662630937 415913088 /nfs/dbraw/zinc/91/30/88/415913088.db2.gz IXSNGZMWAWCKRY-LBPRGKRZSA-N 1 2 272.339 2.022 10 0 CEAELO CCOC(=O)NCCc1cn2cc(Cl)ccc2[nH+]1 ZINC000074600105 176591377 /nfs/dbraw/zinc/59/13/77/176591377.db2.gz FYTGGWSYIZYNRC-UHFFFAOYSA-N 1 2 267.716 2.276 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCCC1=CCCCC1 ZINC000077366653 177258416 /nfs/dbraw/zinc/25/84/16/177258416.db2.gz SVRLBWDLKVLAEG-ZIAGYGMSSA-N 1 2 280.412 2.102 10 0 CEAELO C[C@@H]1COC[C@@H](C)N1Cc1[nH+]ccn1CC(F)(F)F ZINC000077369202 177259270 /nfs/dbraw/zinc/25/92/70/177259270.db2.gz CLRXMNOIEQHFAS-NXEZZACHSA-N 1 2 277.290 2.055 10 0 CEAELO COC(=O)c1cc(NCCCCSC)cc[nH+]1 ZINC000078292888 177330993 /nfs/dbraw/zinc/33/09/93/177330993.db2.gz XQUHQGPOZHXWMQ-UHFFFAOYSA-N 1 2 254.355 2.423 10 0 CEAELO COc1cccc(C[NH2+]Cc2cnc[nH]2)c1OC(F)F ZINC000078470490 177343781 /nfs/dbraw/zinc/34/37/81/177343781.db2.gz PBJKWGHKNUNWFT-UHFFFAOYSA-N 1 2 283.278 2.310 10 0 CEAELO Cc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1Cl ZINC000194848669 270304260 /nfs/dbraw/zinc/30/42/60/270304260.db2.gz NPGNYXIXWKPBHF-NSHDSACASA-N 1 2 266.772 2.359 10 0 CEAELO Cc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)cc1Cl ZINC000194848669 270304262 /nfs/dbraw/zinc/30/42/62/270304262.db2.gz NPGNYXIXWKPBHF-NSHDSACASA-N 1 2 266.772 2.359 10 0 CEAELO COC(=O)[C@@H]1CC[C@@H](c2ccccc2Cl)C[NH2+]1 ZINC000079026464 277094232 /nfs/dbraw/zinc/09/42/32/277094232.db2.gz HCRJZHWCZVXRTF-SKDRFNHKSA-N 1 2 253.729 2.349 10 0 CEAELO CCCCN(CCCC)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000079252517 279687155 /nfs/dbraw/zinc/68/71/55/279687155.db2.gz KEGKMYXTSUDMPY-HNNXBMFYSA-N 1 2 299.459 2.319 10 0 CEAELO C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1noc(C[NH3+])n1 ZINC000261743681 280017298 /nfs/dbraw/zinc/01/72/98/280017298.db2.gz MVLDCBSHAYLNMD-JQWIXIFHSA-N 1 2 290.342 2.045 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000176892223 280780059 /nfs/dbraw/zinc/78/00/59/280780059.db2.gz WGYOWBDQGSFIGH-YBTHPKLGSA-N 1 2 299.440 2.016 10 0 CEAELO Cc1cc[nH+]c(N[C@@H]2CCC[C@@H]2O)c1Br ZINC000287302404 292788928 /nfs/dbraw/zinc/78/89/28/292788928.db2.gz MTTYSSCOAZARSS-BDAKNGLRSA-N 1 2 271.158 2.478 10 0 CEAELO CCn1c(C)nnc1C[NH2+][C@H](COC)c1ccccc1 ZINC000181651164 312792962 /nfs/dbraw/zinc/79/29/62/312792962.db2.gz PCWXIDSFNVWGMB-CQSZACIVSA-N 1 2 274.368 2.084 10 0 CEAELO C[C@@H](NC(=O)C1=CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000184458708 321731195 /nfs/dbraw/zinc/73/11/95/321731195.db2.gz LFKMEADEVQPMJQ-CYBMUJFWSA-N 1 2 297.358 2.396 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1cccc(C)c1)C(=O)OCC ZINC000062529426 520086669 /nfs/dbraw/zinc/08/66/69/520086669.db2.gz DJNXZDJGXTWUPQ-HNNXBMFYSA-N 1 2 278.396 2.363 10 0 CEAELO CCOC(=O)[C@@H](CCN(CC)c1ccccc1F)[NH2+]C ZINC000062530191 521056677 /nfs/dbraw/zinc/05/66/77/521056677.db2.gz CNCGHQDFSZNNIG-CYBMUJFWSA-N 1 2 282.359 2.193 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccc(CC)cc1)[NH2+]C ZINC000062548658 521060253 /nfs/dbraw/zinc/06/02/53/521060253.db2.gz HQDMRXBVSGZTGA-CQSZACIVSA-N 1 2 265.353 2.169 10 0 CEAELO CCOC(=O)[C@H](CCN(CC)c1cccc(C)c1)[NH2+]C ZINC000062452921 521242724 /nfs/dbraw/zinc/24/27/24/521242724.db2.gz DRPPZCXXRSBQIC-HNNXBMFYSA-N 1 2 278.396 2.363 10 0 CEAELO C[NH2+][C@@](C[NH+](CC(C)C)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069100882 522425013 /nfs/dbraw/zinc/42/50/13/522425013.db2.gz BDMVTEMHBXAUIG-OAHLLOKOSA-N 1 2 270.417 2.053 10 0 CEAELO CCC[NH2+][C@@](C[NH+]1CCC(CC)CC1)(C(=O)[O-])C1CC1 ZINC000069183839 520053029 /nfs/dbraw/zinc/05/30/29/520053029.db2.gz SXIDDUNSGDQEGM-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@H](CCO[C@@H](C)CC(C)C)C(=O)OC ZINC000062544945 520076266 /nfs/dbraw/zinc/07/62/66/520076266.db2.gz KDXUAZFHZFYPBO-QWHCGFSZSA-N 1 2 259.390 2.369 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)Sc1cc(C)nn1C)C(=O)OC ZINC000068640791 520142221 /nfs/dbraw/zinc/14/22/21/520142221.db2.gz WWHPUCJKZGDPLQ-RISCZKNCSA-N 1 2 299.440 2.140 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)Sc1ncc(C)cn1)C(=O)OC ZINC000068640010 520146989 /nfs/dbraw/zinc/14/69/89/520146989.db2.gz UWXVGHHIBQAQTE-FZMZJTMJSA-N 1 2 297.424 2.197 10 0 CEAELO CC[NH2+][C@@](CS[C@@H](C)CC)(C(=O)OC)C1CC1 ZINC000069185179 520158104 /nfs/dbraw/zinc/15/81/04/520158104.db2.gz ZVCJRRTXVIIISC-GXFFZTMASA-N 1 2 259.415 2.449 10 0 CEAELO CC[NH2+][C@H](CCOc1cc(F)cc(F)c1)C(=O)OCC ZINC000062596225 520191434 /nfs/dbraw/zinc/19/14/34/520191434.db2.gz UPYKVSRBOBZGKV-CYBMUJFWSA-N 1 2 287.306 2.275 10 0 CEAELO CCCNc1ncccc1C[N@@H+]1CCC[C@H]1C(=O)OCC ZINC000052723789 520195665 /nfs/dbraw/zinc/19/56/65/520195665.db2.gz USZWCZXWSPNZQM-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CCCNc1ncccc1C[N@H+]1CCC[C@H]1C(=O)OCC ZINC000052723789 520195671 /nfs/dbraw/zinc/19/56/71/520195671.db2.gz USZWCZXWSPNZQM-AWEZNQCLSA-N 1 2 291.395 2.431 10 0 CEAELO CC[NH2+][C@](CSCC(C)C)(C(=O)OC)C1CC1 ZINC000069184256 520252742 /nfs/dbraw/zinc/25/27/42/520252742.db2.gz WXFQDXNXROKGPF-ZDUSSCGKSA-N 1 2 259.415 2.307 10 0 CEAELO CCNc1[nH+]cccc1Cn1c2ccccc2oc1=O ZINC000052732766 520377725 /nfs/dbraw/zinc/37/77/25/520377725.db2.gz CTEGRNAZSMLGKZ-UHFFFAOYSA-N 1 2 269.304 2.470 10 0 CEAELO CCNc1[nH+]cnc2c1cnn2-c1ccccc1OC ZINC000062606371 520382226 /nfs/dbraw/zinc/38/22/26/520382226.db2.gz LZPMXFHUQPIYGQ-UHFFFAOYSA-N 1 2 269.308 2.256 10 0 CEAELO CCCSc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061543421 520568509 /nfs/dbraw/zinc/56/85/09/520568509.db2.gz MIAFFELBWBBTBT-UHFFFAOYSA-N 1 2 255.734 2.213 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccc(OCC)cc1)[NH2+]C ZINC000062547663 521059727 /nfs/dbraw/zinc/05/97/27/521059727.db2.gz GFCYFWQEODKLGU-CQSZACIVSA-N 1 2 281.352 2.005 10 0 CEAELO CCOC(=O)[C@@](CSCC)([NH2+]C(C)C)C1CC1 ZINC000069185053 521169208 /nfs/dbraw/zinc/16/92/08/521169208.db2.gz PCZAINXGWZFIOC-ZDUSSCGKSA-N 1 2 259.415 2.449 10 0 CEAELO CCOC(=O)[C@@](COc1ccc(F)cc1)([NH2+]C)C1CC1 ZINC000069197531 521170153 /nfs/dbraw/zinc/17/01/53/521170153.db2.gz RURBVSXLBCGQJH-HNNXBMFYSA-N 1 2 281.327 2.136 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]C2CCCC2)CCCSC1 ZINC000061590620 521184244 /nfs/dbraw/zinc/18/42/44/521184244.db2.gz GWLDDJIKQAICGF-CYBMUJFWSA-N 1 2 257.399 2.348 10 0 CEAELO CCC[C@H]1CCC(=O)[C@H](CN2CCn3cc[nH+]c3C2)C1 ZINC000062321550 521201703 /nfs/dbraw/zinc/20/17/03/521201703.db2.gz LEMQWULWOYUKHU-KBPBESRZSA-N 1 2 275.396 2.484 10 0 CEAELO CCOC(=O)[C@H](CCOC1CCCCCC1)[NH2+]C ZINC000062541204 521247480 /nfs/dbraw/zinc/24/74/80/521247480.db2.gz HAGSQRKDEVQJOM-ZDUSSCGKSA-N 1 2 257.374 2.267 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccc(F)cc1)[NH2+]C1CC1 ZINC000062549975 521247724 /nfs/dbraw/zinc/24/77/24/521247724.db2.gz LECKOHFDRCVBOO-AWEZNQCLSA-N 1 2 281.327 2.278 10 0 CEAELO CCOC(=O)[C@H](CCn1cnc2cc(C)c(C)cc21)[NH2+]C ZINC000062534627 521250741 /nfs/dbraw/zinc/25/07/41/521250741.db2.gz USHMBSUOOJEPIO-ZDUSSCGKSA-N 1 2 289.379 2.194 10 0 CEAELO CCOC(=O)[C@H](COc1cccc(COC)c1)[NH2+]C(C)C ZINC000069508649 521254083 /nfs/dbraw/zinc/25/40/83/521254083.db2.gz FMBYTXQVOJKIBS-HNNXBMFYSA-N 1 2 295.379 2.142 10 0 CEAELO CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](C)C(=O)[O-] ZINC000061218924 521297005 /nfs/dbraw/zinc/29/70/05/521297005.db2.gz PGULKYRPJHJQRT-CYBMUJFWSA-N 1 2 287.363 2.415 10 0 CEAELO CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](C)C(=O)[O-] ZINC000061218924 521297012 /nfs/dbraw/zinc/29/70/12/521297012.db2.gz PGULKYRPJHJQRT-CYBMUJFWSA-N 1 2 287.363 2.415 10 0 CEAELO CCOc1cccc(-c2[nH+]c(C3CC3)n(N)c2N)c1 ZINC000052839144 521312460 /nfs/dbraw/zinc/31/24/60/521312460.db2.gz VTGKRYQMBGLARI-UHFFFAOYSA-N 1 2 258.325 2.122 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)N(CC)CC(F)(F)F)[NH2+]C ZINC000068629647 521321184 /nfs/dbraw/zinc/32/11/84/521321184.db2.gz LOBIHJLCPGNFHX-PWSUYJOCSA-N 1 2 298.349 2.190 10 0 CEAELO CCOC(=O)[C@](C)(C[C@H](C)Oc1cccc(OC)c1)[NH2+]C ZINC000068655568 521323506 /nfs/dbraw/zinc/32/35/06/521323506.db2.gz IJIWKJHNYGQLER-LRDDRELGSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@](CS[C@@H](C)CC)([NH2+]C)C1CC1 ZINC000069185193 521343346 /nfs/dbraw/zinc/34/33/46/521343346.db2.gz YGFQWPVCGYEMQO-GXFFZTMASA-N 1 2 259.415 2.449 10 0 CEAELO CCOC(=O)[C@](CSCCOC)([NH2+]C(C)C)C1CC1 ZINC000069184561 521343410 /nfs/dbraw/zinc/34/34/10/521343410.db2.gz WDTMTGWINYVBTA-CQSZACIVSA-N 1 2 289.441 2.076 10 0 CEAELO CCOC(=O)[C@](CSCC)([NH2+]C1CC1)C1CC1 ZINC000069185062 521343755 /nfs/dbraw/zinc/34/37/55/521343755.db2.gz WHNWCBWJEPCJOI-CYBMUJFWSA-N 1 2 257.399 2.203 10 0 CEAELO CCC(C)(C)Oc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061520140 521362053 /nfs/dbraw/zinc/36/20/53/521362053.db2.gz SDNXVQCTBLVWKU-UHFFFAOYSA-N 1 2 267.720 2.278 10 0 CEAELO CCCc1[nH+]c(-c2c(F)cccc2F)c(N)n1N ZINC000052839357 521463416 /nfs/dbraw/zinc/46/34/16/521463416.db2.gz GQJZIQFGTBOYPQ-UHFFFAOYSA-N 1 2 252.268 2.077 10 0 CEAELO CCS(=O)(=O)c1ccccc1NCc1c[nH+]c(C)[nH]1 ZINC000054822126 521694080 /nfs/dbraw/zinc/69/40/80/521694080.db2.gz ZBCUZIJOXXNLTC-UHFFFAOYSA-N 1 2 279.365 2.124 10 0 CEAELO CCS(=O)(=O)c1ccccc1NCc1c[nH]c(C)[nH+]1 ZINC000054822126 521694082 /nfs/dbraw/zinc/69/40/82/521694082.db2.gz ZBCUZIJOXXNLTC-UHFFFAOYSA-N 1 2 279.365 2.124 10 0 CEAELO COC(=O)c1cc(F)ccc1NCc1c[nH+]c(C)[nH]1 ZINC000054822107 521869071 /nfs/dbraw/zinc/86/90/71/521869071.db2.gz WWORAKHEIIFKOU-UHFFFAOYSA-N 1 2 263.272 2.256 10 0 CEAELO COC(=O)c1cc(F)ccc1NCc1c[nH]c(C)[nH+]1 ZINC000054822107 521869078 /nfs/dbraw/zinc/86/90/78/521869078.db2.gz WWORAKHEIIFKOU-UHFFFAOYSA-N 1 2 263.272 2.256 10 0 CEAELO CC[C@@H](C)OC[C@]([NH2+]C(C)C)(C(=O)OC)C1CC1 ZINC000069198261 522254035 /nfs/dbraw/zinc/25/40/35/522254035.db2.gz OISZMTBVZYGCOX-BXUZGUMPSA-N 1 2 257.374 2.121 10 0 CEAELO C[NH2+][C@@H](CCOc1ccc(C(C)C)cc1)C(=O)OC ZINC000062547914 522350211 /nfs/dbraw/zinc/35/02/11/522350211.db2.gz DWZRJWRGKJQMKA-AWEZNQCLSA-N 1 2 265.353 2.340 10 0 CEAELO CC[C@@H](C)[C@H]([NH2+][C@@H](C)Cc1ccco1)C(=O)OC ZINC000062771359 522387647 /nfs/dbraw/zinc/38/76/47/522387647.db2.gz QCYCSYHETVEPJD-MDZLAQPJSA-N 1 2 253.342 2.388 10 0 CEAELO C[NH2+][C@@](C)(CSc1ccc(F)c(F)c1)C(=O)OC ZINC000045551050 522413458 /nfs/dbraw/zinc/41/34/58/522413458.db2.gz KVUFRLGUMQNLKF-LBPRGKRZSA-N 1 2 275.320 2.208 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)OCCOc1ccccc1)C(=O)OC ZINC000068653745 522522475 /nfs/dbraw/zinc/52/24/75/522522475.db2.gz WFPWFOVHLAPNEW-XJKSGUPXSA-N 1 2 295.379 2.012 10 0 CEAELO CCc1[nH+]ccn1-c1cc(C(N)=O)c2ccccc2n1 ZINC000068771799 522578678 /nfs/dbraw/zinc/57/86/78/522578678.db2.gz VQUAGTZLFYOOQL-UHFFFAOYSA-N 1 2 266.304 2.082 10 0 CEAELO CNc1ccc(CN2C(=O)COc3ccccc32)c[nH+]1 ZINC000050828897 522607485 /nfs/dbraw/zinc/60/74/85/522607485.db2.gz PXRWTTVYRLHZPI-UHFFFAOYSA-N 1 2 269.304 2.049 10 0 CEAELO CNc1ccc(Cl)c(C[NH+]2CCC(C(=O)OC)CC2)n1 ZINC000061630534 522623102 /nfs/dbraw/zinc/62/31/02/522623102.db2.gz AUEMFSNECCXUHD-UHFFFAOYSA-N 1 2 297.786 2.162 10 0 CEAELO CNc1ccc(Cn2cc(Br)cn2)c[nH+]1 ZINC000050829796 522629107 /nfs/dbraw/zinc/62/91/07/522629107.db2.gz QNLKRBORVXGVIK-UHFFFAOYSA-N 1 2 267.130 2.131 10 0 CEAELO CNc1nc(C[N@@H+]2CCCC[C@@H]2CO)nc2sccc21 ZINC000050817076 522680154 /nfs/dbraw/zinc/68/01/54/522680154.db2.gz SJPQYNMNFSLIFH-SNVBAGLBSA-N 1 2 292.408 2.080 10 0 CEAELO CNc1nc(C[N@H+]2CCCC[C@@H]2CO)nc2sccc21 ZINC000050817076 522680160 /nfs/dbraw/zinc/68/01/60/522680160.db2.gz SJPQYNMNFSLIFH-SNVBAGLBSA-N 1 2 292.408 2.080 10 0 CEAELO CNc1nc2ccccc2cc1C[NH+]1CCOCC1 ZINC000050792200 522691101 /nfs/dbraw/zinc/69/11/01/522691101.db2.gz PMZVFLIFIXIHKG-UHFFFAOYSA-N 1 2 257.337 2.109 10 0 CEAELO CCc1nnc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)n1C ZINC000183520278 522747982 /nfs/dbraw/zinc/74/79/82/522747982.db2.gz FBRKWJSNTWGUBP-ZDUSSCGKSA-N 1 2 291.424 2.383 10 0 CEAELO CN(c1nc(Cl)nc(-n2cc[nH+]c2)n1)C1CCCCC1 ZINC000061535153 523664210 /nfs/dbraw/zinc/66/42/10/523664210.db2.gz WFCDQRPMMKFHRE-UHFFFAOYSA-N 1 2 292.774 2.480 10 0 CEAELO COC(=O)[C@@](C)(COc1ccccc1OC)[NH2+]C(C)C ZINC000045518365 523814930 /nfs/dbraw/zinc/81/49/30/523814930.db2.gz JKLIVPLWDBGOHX-OAHLLOKOSA-N 1 2 281.352 2.004 10 0 CEAELO COC(=O)[C@H](CCOc1ccc(C)cc1)[NH2+]C1CC1 ZINC000062543612 523900215 /nfs/dbraw/zinc/90/02/15/523900215.db2.gz GIMNYEIGBKKMGZ-AWEZNQCLSA-N 1 2 263.337 2.058 10 0 CEAELO CO[C@H]1CCC[C@H](OC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000070323281 523983623 /nfs/dbraw/zinc/98/36/23/523983623.db2.gz MMGTXFYLJOAPCW-DZKIICNBSA-N 1 2 277.364 2.361 10 0 CEAELO COC(=O)[C@](C)(C[C@H](C)n1cc(Cl)c(C)n1)[NH2+]C1CC1 ZINC000068650666 524001660 /nfs/dbraw/zinc/00/16/60/524001660.db2.gz DLARFWWFRLYACG-XPTSAGLGSA-N 1 2 299.802 2.480 10 0 CEAELO COC(=O)[C@](COC1CCCC1)([NH2+]C1CC1)C1CC1 ZINC000069196812 524004961 /nfs/dbraw/zinc/00/49/61/524004961.db2.gz HQMRNUNQOOXYPA-OAHLLOKOSA-N 1 2 267.369 2.019 10 0 CEAELO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069096048 524279007 /nfs/dbraw/zinc/27/90/07/524279007.db2.gz OMKYQQKUYYTAJO-XHBSWPGZSA-N 1 2 280.412 2.235 10 0 CEAELO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccncn1 ZINC000054789363 524332181 /nfs/dbraw/zinc/33/21/81/524332181.db2.gz RGQYXCFBWNPVDR-JTQLQIEISA-N 1 2 261.300 2.475 10 0 CEAELO C[C@H](CNC(=O)c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000046269828 524469811 /nfs/dbraw/zinc/46/98/11/524469811.db2.gz QOUNHJORBHZZEO-CQSZACIVSA-N 1 2 298.386 2.290 10 0 CEAELO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([NH3+])cc1C(=O)[O-] ZINC000049503210 524607226 /nfs/dbraw/zinc/60/72/26/524607226.db2.gz WBDPUQKCEWFEHS-NSHDSACASA-N 1 2 277.368 2.253 10 0 CEAELO C[C@H]([NH2+]Cc1noc(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000183216742 525497963 /nfs/dbraw/zinc/49/79/63/525497963.db2.gz XJDQHYUPMHZIPA-WCQYABFASA-N 1 2 273.336 2.394 10 0 CEAELO COc1cccc(NC(=O)Nc2ccc(N)[nH+]c2)c1 ZINC000061680643 526193826 /nfs/dbraw/zinc/19/38/26/526193826.db2.gz OCYIYHWXSGZQAU-UHFFFAOYSA-N 1 2 258.281 2.316 10 0 CEAELO Cc1cc(C(=O)CN2CCn3cc[nH+]c3C2)c(C)s1 ZINC000062254134 526208961 /nfs/dbraw/zinc/20/89/61/526208961.db2.gz SKUANBLMQGPALH-UHFFFAOYSA-N 1 2 275.377 2.260 10 0 CEAELO O=C([O-])c1cccc(N2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000051043462 526390971 /nfs/dbraw/zinc/39/09/71/526390971.db2.gz FGMWTNPFWZCDHB-UHFFFAOYSA-N 1 2 289.379 2.235 10 0 CEAELO c1ccc([C@H]2[NH2+]CCn3c(-c4ccncc4)nnc32)cc1 ZINC000053711200 526499913 /nfs/dbraw/zinc/49/99/13/526499913.db2.gz IQYGTTULJMUIMP-CQSZACIVSA-N 1 2 277.331 2.033 10 0 CEAELO Cc1[nH]c(CNc2cc(S(C)(=O)=O)ccc2Cl)c[nH+]1 ZINC000054821751 526895681 /nfs/dbraw/zinc/89/56/81/526895681.db2.gz RUCCFIWBHPDBLN-UHFFFAOYSA-N 1 2 299.783 2.387 10 0 CEAELO Cc1[nH]cc(CNc2cc(S(C)(=O)=O)ccc2Cl)[nH+]1 ZINC000054821751 526895687 /nfs/dbraw/zinc/89/56/87/526895687.db2.gz RUCCFIWBHPDBLN-UHFFFAOYSA-N 1 2 299.783 2.387 10 0 CEAELO NC(=S)c1cc(NCc2ccc(F)cc2)cc[nH+]1 ZINC000061812156 527117141 /nfs/dbraw/zinc/11/71/41/527117141.db2.gz PHYJZQSTUAGDJK-UHFFFAOYSA-N 1 2 261.325 2.467 10 0 CEAELO Cc1[nH+]c2ccccc2n1CCNCC(F)(F)F ZINC000052345170 527169639 /nfs/dbraw/zinc/16/96/39/527169639.db2.gz QXXUGYNJWPFTHA-UHFFFAOYSA-N 1 2 257.259 2.497 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000054795045 527215955 /nfs/dbraw/zinc/21/59/55/527215955.db2.gz CWKORHQZMCOFKU-SECBINFHSA-N 1 2 272.308 2.050 10 0 CEAELO Nc1ccc(CN2C(=O)COc3ccc(Cl)cc32)c[nH+]1 ZINC000050829394 527480574 /nfs/dbraw/zinc/48/05/74/527480574.db2.gz UYNGAXVINKMWSD-UHFFFAOYSA-N 1 2 289.722 2.243 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)c1ccc2ncccc2c1 ZINC000062725825 527537293 /nfs/dbraw/zinc/53/72/93/527537293.db2.gz QUPFGJVMOLCMDI-UHFFFAOYSA-N 1 2 264.288 2.464 10 0 CEAELO COC(=O)[C@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000090273599 536638716 /nfs/dbraw/zinc/63/87/16/536638716.db2.gz VZWYMZHABMBJGF-NSHDSACASA-N 1 2 263.341 2.045 10 0 CEAELO COC(=O)c1ccccc1Nc1[nH+]cnc2c1ccn2C ZINC000082359390 177975697 /nfs/dbraw/zinc/97/56/97/177975697.db2.gz GOSSDMKOQXNLOO-UHFFFAOYSA-N 1 2 282.303 2.499 10 0 CEAELO COC(=O)c1ccccc1Nc1[nH+]cnc2[nH]ccc21 ZINC000082359386 177975725 /nfs/dbraw/zinc/97/57/25/177975725.db2.gz QQOLWMLQLISHAK-UHFFFAOYSA-N 1 2 268.276 2.488 10 0 CEAELO COC(=O)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000095914969 185030948 /nfs/dbraw/zinc/03/09/48/185030948.db2.gz CCSIXFRZPNYMCV-UHFFFAOYSA-N 1 2 262.136 2.299 10 0 CEAELO CCn1cc[nH+]c1CNc1ccc(F)c(C(=O)N(C)C)c1 ZINC000124757595 187152686 /nfs/dbraw/zinc/15/26/86/187152686.db2.gz YIMRBEXVXUGOIN-UHFFFAOYSA-N 1 2 290.342 2.356 10 0 CEAELO Cc1[nH+]c2ccccn2c1CCC(=O)NCc1ccccn1 ZINC000096771800 185112436 /nfs/dbraw/zinc/11/24/36/185112436.db2.gz CACKMZLGAMGGRS-UHFFFAOYSA-N 1 2 294.358 2.287 10 0 CEAELO CCCCN(CC)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220572860 539258292 /nfs/dbraw/zinc/25/82/92/539258292.db2.gz WPNBLMXPMLTPFK-LBPRGKRZSA-N 1 2 263.385 2.472 10 0 CEAELO CCCCN(CC)C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220572860 539258293 /nfs/dbraw/zinc/25/82/93/539258293.db2.gz WPNBLMXPMLTPFK-LBPRGKRZSA-N 1 2 263.385 2.472 10 0 CEAELO CCCCc1nc(NCCc2ccccc2)nc(N)[nH+]1 ZINC000003610545 343352342 /nfs/dbraw/zinc/35/23/42/343352342.db2.gz MKUGDFNXCFUTKW-UHFFFAOYSA-N 1 2 271.368 2.451 10 0 CEAELO CCCCc1nc(N)nc(NCCc2ccccc2)[nH+]1 ZINC000003610545 343352344 /nfs/dbraw/zinc/35/23/44/343352344.db2.gz MKUGDFNXCFUTKW-UHFFFAOYSA-N 1 2 271.368 2.451 10 0 CEAELO CC(C)(C)OC(=O)C[NH2+]CCC(=O)OCc1ccccc1 ZINC000034126178 343418807 /nfs/dbraw/zinc/41/88/07/343418807.db2.gz ZMNMNGBZHODLDN-UHFFFAOYSA-N 1 2 293.363 2.051 10 0 CEAELO CCOC(=O)c1c[nH+]c2cc(F)cc(F)c2c1N ZINC000047913020 362231223 /nfs/dbraw/zinc/23/12/23/362231223.db2.gz UGFOKLQTPQSOOA-UHFFFAOYSA-N 1 2 252.220 2.272 10 0 CEAELO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000050048829 362392116 /nfs/dbraw/zinc/39/21/16/362392116.db2.gz OTRJMHUGTSJPTL-OAHLLOKOSA-N 1 2 270.332 2.372 10 0 CEAELO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000050048829 362392122 /nfs/dbraw/zinc/39/21/22/362392122.db2.gz OTRJMHUGTSJPTL-OAHLLOKOSA-N 1 2 270.332 2.372 10 0 CEAELO [NH3+][C@H](c1cnns1)c1cscc1Br ZINC000164394083 344472141 /nfs/dbraw/zinc/47/21/41/344472141.db2.gz ACRNIVVNHGXEKL-ZETCQYMHSA-N 1 2 276.184 2.410 10 0 CEAELO CC(C)c1ccc(C(=O)C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000050152681 362405561 /nfs/dbraw/zinc/40/55/61/362405561.db2.gz VWKONRLIRMFGQK-OAHLLOKOSA-N 1 2 261.365 2.449 10 0 CEAELO CC(C)c1ccc(C(=O)C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000050152681 362405567 /nfs/dbraw/zinc/40/55/67/362405567.db2.gz VWKONRLIRMFGQK-OAHLLOKOSA-N 1 2 261.365 2.449 10 0 CEAELO Nc1c[nH+]cc(Cl)c1-n1cc(Br)cn1 ZINC000307635117 344723911 /nfs/dbraw/zinc/72/39/11/344723911.db2.gz UPXIHHDZRAODIG-UHFFFAOYSA-N 1 2 273.521 2.265 10 0 CEAELO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]CC(F)F ZINC000307689131 344724362 /nfs/dbraw/zinc/72/43/62/344724362.db2.gz GIRQXKUCGMOLHZ-HTQZYQBOSA-N 1 2 252.305 2.143 10 0 CEAELO CCc1cc(C)c(C(=O)NC[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000328624413 344756132 /nfs/dbraw/zinc/75/61/32/344756132.db2.gz JVOMEUUIDUDNBO-LBPRGKRZSA-N 1 2 287.363 2.339 10 0 CEAELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1cccs1 ZINC000328631239 344756513 /nfs/dbraw/zinc/75/65/13/344756513.db2.gz QQSCZAJBAPOSSJ-NSHDSACASA-N 1 2 275.377 2.279 10 0 CEAELO Cc1ccccc1CC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000328630815 344756542 /nfs/dbraw/zinc/75/65/42/344756542.db2.gz QFTBGWMWIGRZFS-HNNXBMFYSA-N 1 2 297.402 2.455 10 0 CEAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1cccs1 ZINC000328631238 344756574 /nfs/dbraw/zinc/75/65/74/344756574.db2.gz QQSCZAJBAPOSSJ-LLVKDONJSA-N 1 2 275.377 2.279 10 0 CEAELO Cc1[nH+]cc(N)cc1-c1cc(Cl)nc(NCCO)c1 ZINC000584603368 344963509 /nfs/dbraw/zinc/96/35/09/344963509.db2.gz ZZZAPMUZDLYVLI-UHFFFAOYSA-N 1 2 278.743 2.092 10 0 CEAELO Nc1c[nH+]c2c(Br)cc(F)cc2c1N ZINC000584882748 344996461 /nfs/dbraw/zinc/99/64/61/344996461.db2.gz OZWPEPWCNSDPDM-UHFFFAOYSA-N 1 2 256.078 2.301 10 0 CEAELO CC[NH2+][C@H](c1csnn1)c1ccc2c(c1)OCCCO2 ZINC000097122819 185541665 /nfs/dbraw/zinc/54/16/65/185541665.db2.gz CRCAEXOWVZLQQS-AWEZNQCLSA-N 1 2 291.376 2.398 10 0 CEAELO CCCn1cc[nH+]c1[C@@H](Cc1ccc(F)cc1)NN ZINC000097488470 185615724 /nfs/dbraw/zinc/61/57/24/185615724.db2.gz UIVLTWVSZDICBP-CYBMUJFWSA-N 1 2 262.332 2.179 10 0 CEAELO CC(C)CCC[C@H](C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000060909430 362672908 /nfs/dbraw/zinc/67/29/08/362672908.db2.gz FTVHMSIVXJEHAW-GJZGRUSLSA-N 1 2 299.459 2.221 10 0 CEAELO CNc1nc(C[C@@H]2CCCO2)[nH+]c(C)c1Br ZINC000085459244 179068900 /nfs/dbraw/zinc/06/89/00/179068900.db2.gz WZFXBMUPZYUOBE-QMMMGPOBSA-N 1 2 286.173 2.311 10 0 CEAELO Nc1nc(N2CCCCCC2)[nH+]cc1Br ZINC000085461565 179069328 /nfs/dbraw/zinc/06/93/28/179069328.db2.gz JQIJQMCOJHZBLG-UHFFFAOYSA-N 1 2 271.162 2.202 10 0 CEAELO OCCCc1[nH]c2cc(Br)c(F)cc2[nH+]1 ZINC000086598666 179310952 /nfs/dbraw/zinc/31/09/52/179310952.db2.gz UXTWBLZIDDMPAY-UHFFFAOYSA-N 1 2 273.105 2.389 10 0 CEAELO COC(=O)[C@]1([NH2+]C[C@@H]2CCCO2)CCC[C@@H](C)CC1 ZINC000086891841 179366389 /nfs/dbraw/zinc/36/63/89/179366389.db2.gz WKKJDVMWUNTFHJ-IPYPFGDCSA-N 1 2 269.385 2.267 10 0 CEAELO Brc1ccc2oc([C@H]3COCC[NH2+]3)nc2c1 ZINC000087049440 179388664 /nfs/dbraw/zinc/38/86/64/179388664.db2.gz IMMGQRXNOYBSAM-SECBINFHSA-N 1 2 283.125 2.251 10 0 CEAELO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccccc2CO)C1 ZINC000616631355 348540966 /nfs/dbraw/zinc/54/09/66/348540966.db2.gz YQPUJVKZOYLYPV-CQSZACIVSA-N 1 2 292.379 2.060 10 0 CEAELO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccccc2N)C1 ZINC000616631548 348541440 /nfs/dbraw/zinc/54/14/40/348541440.db2.gz AUQFIRAFHVPYEJ-ZDUSSCGKSA-N 1 2 277.368 2.150 10 0 CEAELO CCOC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000616633336 348542335 /nfs/dbraw/zinc/54/23/35/348542335.db2.gz QNKSKVWQFFXDAU-GFCCVEGCSA-N 1 2 268.744 2.443 10 0 CEAELO Nc1ccc([C@@H]2COCC[N@@H+]2Cc2ccccc2)cn1 ZINC000616639685 348544059 /nfs/dbraw/zinc/54/40/59/348544059.db2.gz RKQITCYNCUELMI-HNNXBMFYSA-N 1 2 269.348 2.068 10 0 CEAELO Nc1ccc([C@@H]2COCC[N@H+]2Cc2ccccc2)cn1 ZINC000616639685 348544061 /nfs/dbraw/zinc/54/40/61/348544061.db2.gz RKQITCYNCUELMI-HNNXBMFYSA-N 1 2 269.348 2.068 10 0 CEAELO CC(C)(C)OC(=O)N1CCO[C@H](c2ccc[nH+]c2N)CC1 ZINC000616663402 348553692 /nfs/dbraw/zinc/55/36/92/348553692.db2.gz GZEYKOAXDRFRQA-LBPRGKRZSA-N 1 2 293.367 2.362 10 0 CEAELO CCN1C[C@H](c2ccc(N)[nH+]c2)Nc2ccccc21 ZINC000616681932 348558919 /nfs/dbraw/zinc/55/89/19/348558919.db2.gz APEOQTHGIOLAMO-CYBMUJFWSA-N 1 2 254.337 2.487 10 0 CEAELO COC(=O)N1c2ccccc2NC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616682044 348559015 /nfs/dbraw/zinc/55/90/15/348559015.db2.gz CTKHEQSLNUPLBC-CYBMUJFWSA-N 1 2 284.319 2.234 10 0 CEAELO COC(=O)N1C[C@H](c2[nH]cc[nH+]2)Nc2ccccc21 ZINC000616685848 348560319 /nfs/dbraw/zinc/56/03/19/348560319.db2.gz VKYFKMZPRYPXOZ-SNVBAGLBSA-N 1 2 258.281 2.149 10 0 CEAELO Cc1nc(Cl)c(N[C@@H](C)Cn2cc[nH+]c2)nc1C ZINC000088496972 179614455 /nfs/dbraw/zinc/61/44/55/179614455.db2.gz IAHAHNVVGQIQAS-QMMMGPOBSA-N 1 2 265.748 2.444 10 0 CEAELO CCC1(O)C[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000089653014 179840726 /nfs/dbraw/zinc/84/07/26/179840726.db2.gz MQNNGYSWNLHUEU-UHFFFAOYSA-N 1 2 260.312 2.331 10 0 CEAELO CCn1c(C)nnc1C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C 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CC[N@H+]1CCO[C@H](COc2c(C)cc(C=O)cc2C)C1 ZINC000092056936 180313735 /nfs/dbraw/zinc/31/37/35/180313735.db2.gz IQLDSYGOGQBTNO-HNNXBMFYSA-N 1 2 277.364 2.215 10 0 CEAELO COC(C)(C)c1noc([C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000092137628 180333140 /nfs/dbraw/zinc/33/31/40/180333140.db2.gz KLTHGEXQBQCSED-LBPRGKRZSA-N 1 2 273.336 2.338 10 0 CEAELO COC(=O)[C@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275144 180356378 /nfs/dbraw/zinc/35/63/78/180356378.db2.gz KCZHGHYXFHOFIE-UWVGGRQHSA-N 1 2 251.351 2.027 10 0 CEAELO CCCNc1cccc(CSCC(=O)OC)[nH+]1 ZINC000092383014 180372719 /nfs/dbraw/zinc/37/27/19/180372719.db2.gz HWLYBIRVDSUUAX-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO c1cnn(CC2CC[NH+](Cc3noc(C4CC4)n3)CC2)c1 ZINC000105887221 186084538 /nfs/dbraw/zinc/08/45/38/186084538.db2.gz XSIHGQIRUOIPCE-UHFFFAOYSA-N 1 2 287.367 2.056 10 0 CEAELO C[C@H](c1ccccc1F)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105890368 186084825 /nfs/dbraw/zinc/08/48/25/186084825.db2.gz FXLROXBKBWIZTI-KGLIPLIRSA-N 1 2 289.354 2.484 10 0 CEAELO 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CCn1nccc1C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000123316761 187084257 /nfs/dbraw/zinc/08/42/57/187084257.db2.gz RFWNEOKRIUYXAF-UHFFFAOYSA-N 1 2 287.411 2.318 10 0 CEAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(C)o1 ZINC000153766515 188102941 /nfs/dbraw/zinc/10/29/41/188102941.db2.gz WIPIURWAWTVVBP-LBPRGKRZSA-N 1 2 260.341 2.367 10 0 CEAELO CNc1nc(N[C@@H]2C[C@H]2C)[nH+]cc1Br ZINC000132343353 366136945 /nfs/dbraw/zinc/13/69/45/366136945.db2.gz NUYWMYSXYFCFGP-IYSWYEEDSA-N 1 2 257.135 2.101 10 0 CEAELO COc1cccc(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)c1 ZINC000220593813 538802896 /nfs/dbraw/zinc/80/28/96/538802896.db2.gz FHDLMGSZBHQHCC-NSHDSACASA-N 1 2 285.347 2.470 10 0 CEAELO COc1cccc(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)c1 ZINC000220593813 538802905 /nfs/dbraw/zinc/80/29/05/538802905.db2.gz FHDLMGSZBHQHCC-NSHDSACASA-N 1 2 285.347 2.470 10 0 CEAELO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1nnnn1C(C)C ZINC000140731385 366564658 /nfs/dbraw/zinc/56/46/58/366564658.db2.gz GASQJECZRYMNNS-QWHCGFSZSA-N 1 2 295.431 2.280 10 0 CEAELO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1nnnn1C(C)C ZINC000140731385 366564663 /nfs/dbraw/zinc/56/46/63/366564663.db2.gz GASQJECZRYMNNS-QWHCGFSZSA-N 1 2 295.431 2.280 10 0 CEAELO O=C(c1ccccc1F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177810955 189071615 /nfs/dbraw/zinc/07/16/15/189071615.db2.gz CMMSZTRFLWPYRG-GFCCVEGCSA-N 1 2 273.311 2.327 10 0 CEAELO Cc1nnc([C@H]2C[N@H+](CCCSCC(C)C)CCO2)[nH]1 ZINC000154485644 366775171 /nfs/dbraw/zinc/77/51/71/366775171.db2.gz RZSRDXUPOBVMBD-CYBMUJFWSA-N 1 2 298.456 2.266 10 0 CEAELO Cc1nnc([C@H]2C[N@@H+](CCCSCC(C)C)CCO2)[nH]1 ZINC000154485644 366775172 /nfs/dbraw/zinc/77/51/72/366775172.db2.gz RZSRDXUPOBVMBD-CYBMUJFWSA-N 1 2 298.456 2.266 10 0 CEAELO Cc1nc([C@H]2C[N@H+](CCCSCC(C)C)CCO2)n[nH]1 ZINC000154485644 366775175 /nfs/dbraw/zinc/77/51/75/366775175.db2.gz RZSRDXUPOBVMBD-CYBMUJFWSA-N 1 2 298.456 2.266 10 0 CEAELO Cc1nc([C@H]2C[N@@H+](CCCSCC(C)C)CCO2)n[nH]1 ZINC000154485644 366775177 /nfs/dbraw/zinc/77/51/77/366775177.db2.gz RZSRDXUPOBVMBD-CYBMUJFWSA-N 1 2 298.456 2.266 10 0 CEAELO CC(C)C(=O)N[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000301871654 201242021 /nfs/dbraw/zinc/24/20/21/201242021.db2.gz IXERKJXNESLGEP-LBPRGKRZSA-N 1 2 286.379 2.304 10 0 CEAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cncc(F)c1 ZINC000090223635 364050792 /nfs/dbraw/zinc/05/07/92/364050792.db2.gz DXRILSBDUKGQHQ-RNCFNFMXSA-N 1 2 275.331 2.306 10 0 CEAELO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCc2cc(N)ccc21 ZINC000094093272 364252470 /nfs/dbraw/zinc/25/24/70/364252470.db2.gz CTMVSGPEWQWJKW-CYBMUJFWSA-N 1 2 280.335 2.045 10 0 CEAELO Cc1cc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc[nH+]1 ZINC000119248132 365242481 /nfs/dbraw/zinc/24/24/81/365242481.db2.gz YNHNEVPMDKORKK-CQSZACIVSA-N 1 2 285.351 2.493 10 0 CEAELO CCCOC(=O)[C@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000119359337 365261457 /nfs/dbraw/zinc/26/14/57/365261457.db2.gz STSSMDGEUANGDB-LBPRGKRZSA-N 1 2 293.411 2.243 10 0 CEAELO Cc1ccnc(NC[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000583617510 367073174 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ZINC000180235907 368373453 /nfs/dbraw/zinc/37/34/53/368373453.db2.gz PZLYFURZKGXOCY-LRDDRELGSA-N 1 2 296.361 2.117 10 0 CEAELO C[C@H](NC(=O)C1=CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000184458687 368696499 /nfs/dbraw/zinc/69/64/99/368696499.db2.gz LFKMEADEVQPMJQ-ZDUSSCGKSA-N 1 2 297.358 2.396 10 0 CEAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000186395587 368967849 /nfs/dbraw/zinc/96/78/49/368967849.db2.gz QEWHMPUFDHRHMT-MRXNPFEDSA-N 1 2 275.348 2.287 10 0 CEAELO COC(=O)[C@@]1(C)CCC[N@H+]1CCC(=O)c1ccccc1 ZINC000186395587 368967854 /nfs/dbraw/zinc/96/78/54/368967854.db2.gz QEWHMPUFDHRHMT-MRXNPFEDSA-N 1 2 275.348 2.287 10 0 CEAELO CC(C)c1nc([C@@H](C)NC[C@@H]2C[N@H+](C)CCO2)cs1 ZINC000186396219 368968286 /nfs/dbraw/zinc/96/82/86/368968286.db2.gz FEUQTJWZYNRZND-VXGBXAGGSA-N 1 2 283.441 2.248 10 0 CEAELO CC(C)c1nc([C@@H](C)NC[C@@H]2C[N@@H+](C)CCO2)cs1 ZINC000186396219 368968292 /nfs/dbraw/zinc/96/82/92/368968292.db2.gz FEUQTJWZYNRZND-VXGBXAGGSA-N 1 2 283.441 2.248 10 0 CEAELO C[C@H](CCNC(=O)NC[C@H]1C[N@H+](C)CCO1)CC(C)(C)C ZINC000187987791 369270399 /nfs/dbraw/zinc/27/03/99/369270399.db2.gz SQKJVYFCLHNAGR-KGLIPLIRSA-N 1 2 299.459 2.079 10 0 CEAELO C[C@H](CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1)CC(C)(C)C ZINC000187987791 369270404 /nfs/dbraw/zinc/27/04/04/369270404.db2.gz SQKJVYFCLHNAGR-KGLIPLIRSA-N 1 2 299.459 2.079 10 0 CEAELO CC(C)c1nnc(C[N@H+](C)CCOc2ccccc2)n1C ZINC000195015474 370095893 /nfs/dbraw/zinc/09/58/93/370095893.db2.gz AGDCLLAIDKHINC-UHFFFAOYSA-N 1 2 288.395 2.449 10 0 CEAELO CC(C)c1nnc(C[N@@H+](C)CCOc2ccccc2)n1C ZINC000195015474 370095899 /nfs/dbraw/zinc/09/58/99/370095899.db2.gz AGDCLLAIDKHINC-UHFFFAOYSA-N 1 2 288.395 2.449 10 0 CEAELO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247445271 371109255 /nfs/dbraw/zinc/10/92/55/371109255.db2.gz PTUGQZQZUFGCKM-KBMXLJTQSA-N 1 2 294.439 2.040 10 0 CEAELO C[C@]1(c2ccccc2)CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000261856557 371751719 /nfs/dbraw/zinc/75/17/19/371751719.db2.gz 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249339993 /nfs/dbraw/zinc/33/99/93/249339993.db2.gz LZDCIBCRVBGMRH-CYBMUJFWSA-N 1 2 271.368 2.164 10 0 CEAELO Cc1cc(N2CCC[C@@H]2c2nncn2CC(C)C)nc[nH+]1 ZINC000301382982 379271827 /nfs/dbraw/zinc/27/18/27/379271827.db2.gz TZBSUFNJRBRZLX-CYBMUJFWSA-N 1 2 286.383 2.374 10 0 CEAELO c1nc(N2CC[C@@H]3CCCC[C@@H]32)cc(N2CCOCC2)[nH+]1 ZINC000302884153 379472029 /nfs/dbraw/zinc/47/20/29/379472029.db2.gz KCDJWGNKUFSRQP-KBPBESRZSA-N 1 2 288.395 2.082 10 0 CEAELO c1nc(N2CCOCC2)cc(N2CC[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000302884153 379472034 /nfs/dbraw/zinc/47/20/34/379472034.db2.gz KCDJWGNKUFSRQP-KBPBESRZSA-N 1 2 288.395 2.082 10 0 CEAELO CC1(C)CCC[C@@H](CN2CCn3cc[nH+]c3C2)C1=O ZINC000094285770 184775758 /nfs/dbraw/zinc/77/57/58/184775758.db2.gz YHHFJWDSPWBVPS-LBPRGKRZSA-N 1 2 261.369 2.094 10 0 CEAELO NC(=O)c1cc(N)ccc1[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000087782971 135051375 /nfs/dbraw/zinc/05/13/75/135051375.db2.gz NBCABWZVKOOMSW-GWCFXTLKSA-N 1 2 259.353 2.137 10 0 CEAELO NC(=O)c1cc(N)ccc1[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000087782971 135051377 /nfs/dbraw/zinc/05/13/77/135051377.db2.gz NBCABWZVKOOMSW-GWCFXTLKSA-N 1 2 259.353 2.137 10 0 CEAELO CCc1nnc(C[N@H+](C)[C@@H]2CCc3ccccc32)n1C ZINC000195052748 395457385 /nfs/dbraw/zinc/45/73/85/395457385.db2.gz LSWOPUFAVHIZNI-CQSZACIVSA-N 1 2 270.380 2.497 10 0 CEAELO CCc1nnc(C[N@@H+](C)[C@@H]2CCc3ccccc32)n1C ZINC000195052748 395457389 /nfs/dbraw/zinc/45/73/89/395457389.db2.gz LSWOPUFAVHIZNI-CQSZACIVSA-N 1 2 270.380 2.497 10 0 CEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCOCCC(C)C)C1 ZINC000189347893 153090956 /nfs/dbraw/zinc/09/09/56/153090956.db2.gz XLXSKBIGBNAMOI-UONOGXRCSA-N 1 2 297.399 2.203 10 0 CEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCOCCC(C)C)C1 ZINC000189347893 153090963 /nfs/dbraw/zinc/09/09/63/153090963.db2.gz XLXSKBIGBNAMOI-UONOGXRCSA-N 1 2 297.399 2.203 10 0 CEAELO CC(C)c1noc(C[NH+]2CCC(c3ccnn3C)CC2)n1 ZINC000195504617 153292057 /nfs/dbraw/zinc/29/20/57/153292057.db2.gz LOSFYVMLXYVLBF-UHFFFAOYSA-N 1 2 289.383 2.306 10 0 CEAELO CCCc1nc(C[NH+]2CCC(c3cc[nH]n3)CC2)no1 ZINC000195507132 153294031 /nfs/dbraw/zinc/29/40/31/153294031.db2.gz YNZIOXDBKVVSND-UHFFFAOYSA-N 1 2 275.356 2.125 10 0 CEAELO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccccc2)o1 ZINC000220913352 153304808 /nfs/dbraw/zinc/30/48/08/153304808.db2.gz FWNMNHCJFMYVPO-NSHDSACASA-N 1 2 259.309 2.272 10 0 CEAELO CC(C)N(C)c1cccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263199760 154035137 /nfs/dbraw/zinc/03/51/37/154035137.db2.gz IVUHKSAJGIUZGT-CYBMUJFWSA-N 1 2 297.349 2.467 10 0 CEAELO Cn1c[nH+]c2c1CCN(C(=O)CCCOc1ccccc1)C2 ZINC000368397545 156336724 /nfs/dbraw/zinc/33/67/24/156336724.db2.gz NPOPWPCVRVSARC-UHFFFAOYSA-N 1 2 299.374 2.164 10 0 CEAELO Cc1nc([C@H]2CCC[N@@H+]2C[C@H]2CCCCO2)no1 ZINC000368679239 156387099 /nfs/dbraw/zinc/38/70/99/156387099.db2.gz AKUGTZBGMLZMIO-VXGBXAGGSA-N 1 2 251.330 2.084 10 0 CEAELO Cc1nc([C@H]2CCC[N@H+]2C[C@H]2CCCCO2)no1 ZINC000368679239 156387101 /nfs/dbraw/zinc/38/71/01/156387101.db2.gz AKUGTZBGMLZMIO-VXGBXAGGSA-N 1 2 251.330 2.084 10 0 CEAELO C[C@@H]1C[C@H](CC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC000170758436 165042144 /nfs/dbraw/zinc/04/21/44/165042144.db2.gz NKZSBVFDZHOVCV-RBSFLKMASA-N 1 2 296.455 2.286 10 0 CEAELO C[C@@H]1C[C@H](CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC000170758436 165042146 /nfs/dbraw/zinc/04/21/46/165042146.db2.gz NKZSBVFDZHOVCV-RBSFLKMASA-N 1 2 296.455 2.286 10 0 CEAELO CCC[C@@H](C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1)[NH+](C)C ZINC000181876342 165360903 /nfs/dbraw/zinc/36/09/03/165360903.db2.gz DBQWYUBTXWOQCI-JTQLQIEISA-N 1 2 291.355 2.042 10 0 CEAELO CCC[C@@H](C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1)[NH+](C)C ZINC000181876342 165360905 /nfs/dbraw/zinc/36/09/05/165360905.db2.gz DBQWYUBTXWOQCI-JTQLQIEISA-N 1 2 291.355 2.042 10 0 CEAELO C[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)[C@H]1CCCO1 ZINC000183121371 165387927 /nfs/dbraw/zinc/38/79/27/165387927.db2.gz UTKQUIVYESINBH-GXSJLCMTSA-N 1 2 279.365 2.455 10 0 CEAELO CCC(=O)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000020287447 171133697 /nfs/dbraw/zinc/13/36/97/171133697.db2.gz HFTBMMBIZQNMHV-SMDDNHRTSA-N 1 2 282.409 2.036 10 0 CEAELO O=C(Nc1ccc(F)cc1Cl)[C@@H]1CSC[NH2+]1 ZINC000020595466 171263929 /nfs/dbraw/zinc/26/39/29/171263929.db2.gz YKSSXQHCXADDLN-VIFPVBQESA-N 1 2 260.721 2.080 10 0 CEAELO [NH3+][C@@H](c1nc(-c2cccnc2)no1)c1ccccc1 ZINC000021808603 171328406 /nfs/dbraw/zinc/32/84/06/171328406.db2.gz GJDTUWKGCXSPCL-GFCCVEGCSA-N 1 2 252.277 2.180 10 0 CEAELO Nc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000022163747 171365347 /nfs/dbraw/zinc/36/53/47/171365347.db2.gz SSYFUJIEGOOMCS-UHFFFAOYSA-N 1 2 281.359 2.266 10 0 CEAELO Nc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000022163747 171365348 /nfs/dbraw/zinc/36/53/48/171365348.db2.gz SSYFUJIEGOOMCS-UHFFFAOYSA-N 1 2 281.359 2.266 10 0 CEAELO CC[NH+](CC)CCn1c(=O)c2ccsc2[nH]c1=S ZINC000035698433 172366836 /nfs/dbraw/zinc/36/68/36/172366836.db2.gz PLRMELGSMMIECD-UHFFFAOYSA-N 1 2 283.422 2.089 10 0 CEAELO [NH3+][C@H](c1noc(C(F)(F)F)n1)c1cc(F)ccc1F ZINC000036764895 172684025 /nfs/dbraw/zinc/68/40/25/172684025.db2.gz VABXQTDZGZRFFB-ZETCQYMHSA-N 1 2 279.168 2.415 10 0 CEAELO O=S1(=O)CC[C@@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000037184224 173016468 /nfs/dbraw/zinc/01/64/68/173016468.db2.gz HJQCYKDXOVOEIR-CYBMUJFWSA-N 1 2 277.345 2.288 10 0 CEAELO CCOc1ccc([NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000037189366 173019289 /nfs/dbraw/zinc/01/92/89/173019289.db2.gz MVMFYFKSSUGBGS-UHFFFAOYSA-N 1 2 263.341 2.040 10 0 CEAELO Nc1cccc2c1CC[N@H+](Cc1nc(C3CC3)no1)C2 ZINC000038032864 174030129 /nfs/dbraw/zinc/03/01/29/174030129.db2.gz GKGKEXLCBHWQJH-UHFFFAOYSA-N 1 2 270.336 2.088 10 0 CEAELO Nc1cccc2c1CC[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC000038032864 174030131 /nfs/dbraw/zinc/03/01/31/174030131.db2.gz GKGKEXLCBHWQJH-UHFFFAOYSA-N 1 2 270.336 2.088 10 0 CEAELO COc1ccc([C@@H]([NH3+])c2noc(C)n2)cc1Br ZINC000038052537 174063960 /nfs/dbraw/zinc/06/39/60/174063960.db2.gz MZCKXPZPKWIAMI-SNVBAGLBSA-N 1 2 298.140 2.197 10 0 CEAELO NC(=O)c1ccc(-n2cc[nH+]c2-c2ccc(N)cc2)cc1 ZINC000040516993 174307366 /nfs/dbraw/zinc/30/73/66/174307366.db2.gz YQISCJXFDVKGLL-UHFFFAOYSA-N 1 2 278.315 2.220 10 0 CEAELO CC(C)(C)Nc1[nH+]cnc(Nc2ccccn2)c1N ZINC000040680568 174375097 /nfs/dbraw/zinc/37/50/97/174375097.db2.gz YMBOYMSSJVOKPL-UHFFFAOYSA-N 1 2 258.329 2.408 10 0 CEAELO CC(C)CN(CC(C)C)c1nc[nH+]c(N(C)C)c1N ZINC000040723427 174386022 /nfs/dbraw/zinc/38/60/22/174386022.db2.gz NSIXUSQEBLJENT-UHFFFAOYSA-N 1 2 265.405 2.243 10 0 CEAELO CC(C)CN(CC(C)C)c1[nH+]cnc(N(C)C)c1N ZINC000040723427 174386023 /nfs/dbraw/zinc/38/60/23/174386023.db2.gz NSIXUSQEBLJENT-UHFFFAOYSA-N 1 2 265.405 2.243 10 0 CEAELO Cn1cc(CNc2ccc3[nH+]cccc3c2N)cn1 ZINC000041158787 174501525 /nfs/dbraw/zinc/50/15/25/174501525.db2.gz LMASMRXMLXDMOA-UHFFFAOYSA-N 1 2 253.309 2.163 10 0 CEAELO CCN(CCC(N)=S)c1cc(C)[nH+]c(C(C)C)n1 ZINC000042453097 174745518 /nfs/dbraw/zinc/74/55/18/174745518.db2.gz JXOJYMIGZPNNGL-UHFFFAOYSA-N 1 2 266.414 2.411 10 0 CEAELO Cc1ccc(C(N)=S)c(NCc2ccccn2)[nH+]1 ZINC000043396455 175036475 /nfs/dbraw/zinc/03/64/75/175036475.db2.gz AVNQKYAGJMASTK-UHFFFAOYSA-N 1 2 258.350 2.031 10 0 CEAELO CN[C@@H](C[N@@H+]1CCC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000043902716 175122650 /nfs/dbraw/zinc/12/26/50/175122650.db2.gz NJJBKBVDPMILQQ-JSGCOSHPSA-N 1 2 278.396 2.449 10 0 CEAELO CN[C@@H](C[N@H+]1CCC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000043902716 175122651 /nfs/dbraw/zinc/12/26/51/175122651.db2.gz NJJBKBVDPMILQQ-JSGCOSHPSA-N 1 2 278.396 2.449 10 0 CEAELO NC(=S)c1cc2c([nH+]c1NC[C@@H]1CCCOC1)CCC2 ZINC000044984263 175284037 /nfs/dbraw/zinc/28/40/37/175284037.db2.gz GFYQRUJBFYMXDD-JTQLQIEISA-N 1 2 291.420 2.043 10 0 CEAELO Cc1cc(CN[C@@H](c2ccco2)c2[nH+]ccn2C)on1 ZINC000044986893 175284800 /nfs/dbraw/zinc/28/48/00/175284800.db2.gz KRXIIPIOFHVFPR-ZDUSSCGKSA-N 1 2 272.308 2.189 10 0 CEAELO CC[C@H](C)NC(=O)CCn1c(N)[nH+]c2c1cccc2F ZINC000045005601 175288251 /nfs/dbraw/zinc/28/82/51/175288251.db2.gz MLEAUQXPEVFDDU-VIFPVBQESA-N 1 2 278.331 2.062 10 0 CEAELO CCN(CCO)c1ccc([NH2+][C@@H](C)CCOC)cc1 ZINC000045037013 175294391 /nfs/dbraw/zinc/29/43/91/175294391.db2.gz DRKWLJMJPBXHBK-ZDUSSCGKSA-N 1 2 266.385 2.342 10 0 CEAELO CCC[NH2+][C@@](C)(C[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223623 175331622 /nfs/dbraw/zinc/33/16/22/175331622.db2.gz HIDMFYSAHHAXEL-AWEZNQCLSA-N 1 2 256.390 2.095 10 0 CEAELO CC[NH2+][C@](C)(CCN(C)c1ccccc1)C(=O)OC ZINC000045227710 175333242 /nfs/dbraw/zinc/33/32/42/175333242.db2.gz YVUIIHBRUZDQCU-OAHLLOKOSA-N 1 2 264.369 2.054 10 0 CEAELO CC(C)C[NH+](CC(C)C)C[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045273751 175343854 /nfs/dbraw/zinc/34/38/54/175343854.db2.gz FQJFDTBFXGWHLO-OAHLLOKOSA-N 1 2 272.433 2.442 10 0 CEAELO CCN(C[C@@H]([NH2+]C(C)C)C(=O)OC)c1ccccc1C ZINC000045369803 175363646 /nfs/dbraw/zinc/36/36/46/175363646.db2.gz XSTPHQPIQQHRHX-CQSZACIVSA-N 1 2 278.396 2.361 10 0 CEAELO CCOC(=O)[C@H](CN(CC)c1ccccc1)[NH2+]C(C)C ZINC000045379845 175369188 /nfs/dbraw/zinc/36/91/88/175369188.db2.gz PDGSVQBOPDZPLK-HNNXBMFYSA-N 1 2 278.396 2.443 10 0 CEAELO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CCC(F)(F)CC1 ZINC000655525452 415327953 /nfs/dbraw/zinc/32/79/53/415327953.db2.gz ITUAQNVTCHLGBC-WPRPVWTQSA-N 1 2 296.308 2.314 10 0 CEAELO Nc1[nH+]cccc1OC[C@@H]1OCCc2ccccc21 ZINC000071044516 176029805 /nfs/dbraw/zinc/02/98/05/176029805.db2.gz OILVNQTYGRZPQG-AWEZNQCLSA-N 1 2 256.305 2.357 10 0 CEAELO CC[C@@H]1CCC[C@]([NH2+]C[C@@H]2CCCO2)(C(=O)OC)C1 ZINC000071125701 176036036 /nfs/dbraw/zinc/03/60/36/176036036.db2.gz DHZOMPDFHBBUOK-VNHYZAJKSA-N 1 2 269.385 2.267 10 0 CEAELO Cc1ccc(N)c(C(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)c1 ZINC000071383073 176146665 /nfs/dbraw/zinc/14/66/65/176146665.db2.gz IZZGYFPJRRARIZ-CABCVRRESA-N 1 2 284.363 2.297 10 0 CEAELO Cc1cn2ccc(C(=O)NCCc3ccc(O)cc3)cc2[nH+]1 ZINC000071540711 176195694 /nfs/dbraw/zinc/19/56/94/176195694.db2.gz AZDKAAROJRPKMW-UHFFFAOYSA-N 1 2 295.342 2.321 10 0 CEAELO Brc1cncc(N2CCn3cc[nH+]c3C2)c1 ZINC000157376457 275377351 /nfs/dbraw/zinc/37/73/51/275377351.db2.gz VTBSKTIEMWJELF-UHFFFAOYSA-N 1 2 279.141 2.061 10 0 CEAELO COc1cccc2c1cc[nH+]c2N1C[C@H](C)C[C@H](O)C1 ZINC000401503485 278042405 /nfs/dbraw/zinc/04/24/05/278042405.db2.gz QKBBXBYULBMVIX-NEPJUHHUSA-N 1 2 272.348 2.451 10 0 CEAELO CCn1ccnc1CS(=O)(=O)Cc1ccc(C)[nH+]c1C ZINC000185183103 280121429 /nfs/dbraw/zinc/12/14/29/280121429.db2.gz VPEXSBRPTBYUKM-UHFFFAOYSA-N 1 2 293.392 2.030 10 0 CEAELO c1ccc(OCc2n[nH]c(C[NH2+]Cc3cccnc3)n2)cc1 ZINC000185763491 280126304 /nfs/dbraw/zinc/12/63/04/280126304.db2.gz AWVRMXQGTNJVDH-UHFFFAOYSA-N 1 2 295.346 2.069 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@](=O)CC[C@H]1CCCO1 ZINC000188790446 280140301 /nfs/dbraw/zinc/14/03/01/280140301.db2.gz BFSSCDBKKSZRGP-KZULUSFZSA-N 1 2 270.398 2.282 10 0 CEAELO CC(C)[NH2+][C@@](C[N@H+](CC1CC1)C(C)C)(C(=O)[O-])C1CC1 ZINC000069183617 519737234 /nfs/dbraw/zinc/73/72/34/519737234.db2.gz YPZBGAFMOMMDBW-MRXNPFEDSA-N 1 2 282.428 2.338 10 0 CEAELO CC(C)[NH2+][C@@](C[N@@H+](CC1CC1)C(C)C)(C(=O)[O-])C1CC1 ZINC000069183617 519737236 /nfs/dbraw/zinc/73/72/36/519737236.db2.gz YPZBGAFMOMMDBW-MRXNPFEDSA-N 1 2 282.428 2.338 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc(F)c(F)c1)C(=O)OCC ZINC000062595056 520092460 /nfs/dbraw/zinc/09/24/60/520092460.db2.gz DYTJJVAIRKJEAX-ZDUSSCGKSA-N 1 2 287.306 2.275 10 0 CEAELO CCCC[N@@H+](CC)C[C@@]([NH2+]CCC)(C(=O)[O-])C1CC1 ZINC000069090244 520477767 /nfs/dbraw/zinc/47/77/67/520477767.db2.gz JAPOIMIOONMNFQ-HNNXBMFYSA-N 1 2 270.417 2.341 10 0 CEAELO CCCC[N@H+](CC)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069090182 520478092 /nfs/dbraw/zinc/47/80/92/520478092.db2.gz VIXCPOSXRREGIW-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CCCC[N@@H+](CC)C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069090182 520478100 /nfs/dbraw/zinc/47/81/00/520478100.db2.gz VIXCPOSXRREGIW-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@H](C)n1nc(C)c(C)c1C)[NH2+]C ZINC000068649156 521152127 /nfs/dbraw/zinc/15/21/27/521152127.db2.gz DNNAJIXLWKLJFH-ZUZCIYMTSA-N 1 2 281.400 2.301 10 0 CEAELO CCCC[C@H](CC)COCC[C@@H]([NH2+]C)C(=O)OC ZINC000062543048 521181428 /nfs/dbraw/zinc/18/14/28/521181428.db2.gz GOYIPWUNEMJVIS-QWHCGFSZSA-N 1 2 259.390 2.371 10 0 CEAELO CCCc1nc(N2CC[NH+](CC)CC2)sc1C=O ZINC000054967084 521531994 /nfs/dbraw/zinc/53/19/94/521531994.db2.gz NUYDEODAPIGYGL-UHFFFAOYSA-N 1 2 267.398 2.050 10 0 CEAELO COC(=O)c1cc([NH2+]C[C@H](C)CSC)ccc1N ZINC000069507354 521893556 /nfs/dbraw/zinc/89/35/56/521893556.db2.gz ZPOUMJHJOBRXKJ-VIFPVBQESA-N 1 2 268.382 2.466 10 0 CEAELO COC(=O)c1cc(NCc2[nH]c[nH+]c2C)ccc1F ZINC000054795453 521893586 /nfs/dbraw/zinc/89/35/86/521893586.db2.gz LWGFOGATTUCWKJ-UHFFFAOYSA-N 1 2 263.272 2.256 10 0 CEAELO C[NH2+][C@@H](CCO[C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)OC ZINC000062542892 522346365 /nfs/dbraw/zinc/34/63/65/522346365.db2.gz HADSJGDRLQYXNI-UPJWGTAASA-N 1 2 271.401 2.369 10 0 CEAELO CC(C)(C)c1[nH+]c(-c2ccc(F)c(F)c2)c(N)n1N ZINC000052839711 519089910 /nfs/dbraw/zinc/08/99/10/519089910.db2.gz ZKYIPLIQBKNPHW-UHFFFAOYSA-N 1 2 266.295 2.422 10 0 CEAELO CC(C)C[N@H+](C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1)C1CC1 ZINC000069132033 519717900 /nfs/dbraw/zinc/71/79/00/519717900.db2.gz AAFJBGPGPLSXKK-MRXNPFEDSA-N 1 2 282.428 2.338 10 0 CEAELO CC(C)C[N@@H+](C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1)C1CC1 ZINC000069132033 519717902 /nfs/dbraw/zinc/71/79/02/519717902.db2.gz AAFJBGPGPLSXKK-MRXNPFEDSA-N 1 2 282.428 2.338 10 0 CEAELO CCC1=NN(c2ccc(F)cc2C)C(=O)[C@H]1CC[NH3+] ZINC000069506531 519849198 /nfs/dbraw/zinc/84/91/98/519849198.db2.gz QPTUOVSNKXDFHX-NSHDSACASA-N 1 2 263.316 2.212 10 0 CEAELO CC(C)n1c(N)nnc1SCc1cn2ccccc2[nH+]1 ZINC000062801116 519921789 /nfs/dbraw/zinc/92/17/89/519921789.db2.gz VHDHNKGSPOCJLZ-UHFFFAOYSA-N 1 2 288.380 2.381 10 0 CEAELO CCC[NH2+][C@@H](CCOc1ccc(F)cc1)C(=O)OC ZINC000062549930 520003591 /nfs/dbraw/zinc/00/35/91/520003591.db2.gz FRZUQEFWYDPWPN-ZDUSSCGKSA-N 1 2 269.316 2.136 10 0 CEAELO CCC[NH2+][C@@](C)(CCOc1cccc(OC)c1)C(=O)OC ZINC000045512840 520036528 /nfs/dbraw/zinc/03/65/28/520036528.db2.gz WAMCQMDCBJGODA-INIZCTEOSA-N 1 2 295.379 2.395 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](CC)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069096821 520050791 /nfs/dbraw/zinc/05/07/91/520050791.db2.gz YQEWQMCWWQYXBE-OAHLLOKOSA-N 1 2 270.417 2.197 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](CC)CC(C)C)(C(=O)[O-])C1CC1 ZINC000069096821 520050798 /nfs/dbraw/zinc/05/07/98/520050798.db2.gz YQEWQMCWWQYXBE-OAHLLOKOSA-N 1 2 270.417 2.197 10 0 CEAELO CCC[NH2+][C@@](COC1CCC1)(C(=O)OCC)C1CC1 ZINC000069198356 520056062 /nfs/dbraw/zinc/05/60/62/520056062.db2.gz RIIOWRWMQMCNKL-OAHLLOKOSA-N 1 2 269.385 2.267 10 0 CEAELO CCC[NH2+][C@H](C(=O)OC)c1cccc2cccnc21 ZINC000069503324 520062470 /nfs/dbraw/zinc/06/24/70/520062470.db2.gz ZLRPKXNMAXZHML-AWEZNQCLSA-N 1 2 258.321 2.449 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccccc1OCC)C(=O)OC ZINC000062548134 520094673 /nfs/dbraw/zinc/09/46/73/520094673.db2.gz PVFIRVHDONLUKZ-LBPRGKRZSA-N 1 2 281.352 2.005 10 0 CEAELO CCN(C(=O)c1cccc(NN)[nH+]1)c1ccccc1C ZINC000051088825 520102134 /nfs/dbraw/zinc/10/21/34/520102134.db2.gz GMLASEWELZOYMB-UHFFFAOYSA-N 1 2 270.336 2.342 10 0 CEAELO CCC[NH2+][C@](C[N@@H+]1CCCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069093818 520120707 /nfs/dbraw/zinc/12/07/07/520120707.db2.gz BJTIKDUACLPZDG-WFASDCNBSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[NH2+][C@](C[N@H+]1CCCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069093818 520120714 /nfs/dbraw/zinc/12/07/14/520120714.db2.gz BJTIKDUACLPZDG-WFASDCNBSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[NH2+][C@](COC1CCC1)(C(=O)OCC)C1CC1 ZINC000069198354 520121751 /nfs/dbraw/zinc/12/17/51/520121751.db2.gz RIIOWRWMQMCNKL-HNNXBMFYSA-N 1 2 269.385 2.267 10 0 CEAELO CCCNc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OCC)ccn1 ZINC000052723831 520135721 /nfs/dbraw/zinc/13/57/21/520135721.db2.gz WFBSJZQAGWKUQH-CQSZACIVSA-N 1 2 291.395 2.431 10 0 CEAELO CCCNc1cc(C[N@H+]2CCC[C@@H]2C(=O)OCC)ccn1 ZINC000052723831 520135731 /nfs/dbraw/zinc/13/57/31/520135731.db2.gz WFBSJZQAGWKUQH-CQSZACIVSA-N 1 2 291.395 2.431 10 0 CEAELO CC[NH2+][C@@](COc1cc(F)cc(F)c1)(C(=O)OC)C1CC1 ZINC000069198580 520156228 /nfs/dbraw/zinc/15/62/28/520156228.db2.gz LXQJBHIRENASCV-OAHLLOKOSA-N 1 2 299.317 2.275 10 0 CEAELO CCCNc1ncccc1C[N@H+](CCC)CC(=O)N(C)C ZINC000052731315 520194518 /nfs/dbraw/zinc/19/45/18/520194518.db2.gz HHEXKHDRJOBFQQ-UHFFFAOYSA-N 1 2 292.427 2.204 10 0 CEAELO CCCNc1ncccc1C[N@@H+](CCC)CC(=O)N(C)C ZINC000052731315 520194523 /nfs/dbraw/zinc/19/45/23/520194523.db2.gz HHEXKHDRJOBFQQ-UHFFFAOYSA-N 1 2 292.427 2.204 10 0 CEAELO CC[NH2+][C@H](c1ncccn1)c1cc(OC)ccc1OC ZINC000055234693 520212482 /nfs/dbraw/zinc/21/24/82/520212482.db2.gz KUIVPNGFBAVZFL-AWEZNQCLSA-N 1 2 273.336 2.193 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)OCCOC(C)C)C(=O)OCC ZINC000068654326 520236055 /nfs/dbraw/zinc/23/60/55/520236055.db2.gz KNBQMSZFTZECNT-UKRRQHHQSA-N 1 2 289.416 2.138 10 0 CEAELO CC[NH2+][C@](CN(C)c1ccccc1)(C(=O)OC)C1CC1 ZINC000069094429 520245514 /nfs/dbraw/zinc/24/55/14/520245514.db2.gz RMWVJCFLLZQQBJ-INIZCTEOSA-N 1 2 276.380 2.054 10 0 CEAELO CC[NH2+][C@](COc1cccc(OC)c1)(C(=O)OC)C1CC1 ZINC000069197118 520250550 /nfs/dbraw/zinc/25/05/50/520250550.db2.gz QMTMLFZTQKCEHR-INIZCTEOSA-N 1 2 293.363 2.005 10 0 CEAELO CCCOC[C@]([NH2+]C(C)C)(C(=O)OCC)C1CC1 ZINC000069198029 520256360 /nfs/dbraw/zinc/25/63/60/520256360.db2.gz LJMQYWBHTSEESH-CQSZACIVSA-N 1 2 257.374 2.123 10 0 CEAELO CCNc1cc(CSCC(=O)OCC)cc[nH+]1 ZINC000052756419 520272267 /nfs/dbraw/zinc/27/22/67/520272267.db2.gz GVEOTQGSZVKQRD-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO CCNc1nc(C[N@@H+]2CCC[C@H]2CO)nc2sccc21 ZINC000050816577 520356561 /nfs/dbraw/zinc/35/65/61/520356561.db2.gz ZBGHWSWHXNBMGM-JTQLQIEISA-N 1 2 292.408 2.080 10 0 CEAELO CCNc1nc(C[N@H+]2CCC[C@H]2CO)nc2sccc21 ZINC000050816577 520356571 /nfs/dbraw/zinc/35/65/71/520356571.db2.gz ZBGHWSWHXNBMGM-JTQLQIEISA-N 1 2 292.408 2.080 10 0 CEAELO CC1(C)CC[NH+](C[C@@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069232029 520377443 /nfs/dbraw/zinc/37/74/43/520377443.db2.gz XBBYNQRLSAOVHG-INIZCTEOSA-N 1 2 280.412 2.094 10 0 CEAELO CCCC[N@H+](CC)C[C@@]([NH2+]CCC)(C(=O)[O-])C1CC1 ZINC000069090244 520477762 /nfs/dbraw/zinc/47/77/62/520477762.db2.gz JAPOIMIOONMNFQ-HNNXBMFYSA-N 1 2 270.417 2.341 10 0 CEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000184165840 520597454 /nfs/dbraw/zinc/59/74/54/520597454.db2.gz QVUXXDIFEMGNFJ-HNNXBMFYSA-N 1 2 292.379 2.135 10 0 CEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000184165840 520597459 /nfs/dbraw/zinc/59/74/59/520597459.db2.gz QVUXXDIFEMGNFJ-HNNXBMFYSA-N 1 2 292.379 2.135 10 0 CEAELO CCOC(=O)[C@@H](C)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000049374811 521021090 /nfs/dbraw/zinc/02/10/90/521021090.db2.gz UHMXTJZGABMFFH-ZYHUDNBSSA-N 1 2 278.377 2.372 10 0 CEAELO CCOC(=O)[C@@H](C)N[C@@H](c1cccs1)c1[nH+]ccn1C ZINC000049371249 521027096 /nfs/dbraw/zinc/02/70/96/521027096.db2.gz PRLUQJZONHHEKG-PWSUYJOCSA-N 1 2 293.392 2.112 10 0 CEAELO CCOC(=O)[C@H](CCOc1ccc2c(c1)CCC2)[NH2+]C ZINC000062545618 521248310 /nfs/dbraw/zinc/24/83/10/521248310.db2.gz PCNBWVYGTDJYRB-HNNXBMFYSA-N 1 2 277.364 2.095 10 0 CEAELO CCOC(=O)[C@](C)(Cn1cc(-c2ccccc2)cn1)[NH2+]C ZINC000054961900 521324171 /nfs/dbraw/zinc/32/41/71/521324171.db2.gz VREPFNSCPCBMKO-INIZCTEOSA-N 1 2 287.363 2.091 10 0 CEAELO CCOC(=O)[C@](CN(CC)c1ccccc1)([NH2+]C)C1CC1 ZINC000069096293 521340646 /nfs/dbraw/zinc/34/06/46/521340646.db2.gz TXHMNDFXTKDNJA-QGZVFWFLSA-N 1 2 290.407 2.444 10 0 CEAELO CCCc1cc(N)nc(-c2ccc3c(c2)OCO3)[nH+]1 ZINC000050866654 521366564 /nfs/dbraw/zinc/36/65/64/521366564.db2.gz QMVYECOJVXSMHG-UHFFFAOYSA-N 1 2 257.293 2.407 10 0 CEAELO CC[N@@H+]1CCC[C@@H]1CNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054527504 521641030 /nfs/dbraw/zinc/64/10/30/521641030.db2.gz UVVRQBWBOWYYNE-GFCCVEGCSA-N 1 2 289.379 2.165 10 0 CEAELO CC[N@H+]1CCC[C@@H]1CNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054527504 521641034 /nfs/dbraw/zinc/64/10/34/521641034.db2.gz UVVRQBWBOWYYNE-GFCCVEGCSA-N 1 2 289.379 2.165 10 0 CEAELO CCCn1ccnc1[C@@H]([NH2+]CC)c1cccnc1OC ZINC000061446682 521662201 /nfs/dbraw/zinc/66/22/01/521662201.db2.gz NQQPSNKQSSNHFC-ZDUSSCGKSA-N 1 2 274.368 2.396 10 0 CEAELO CC[C@H](C)OC[C@@]([NH2+]C(C)C)(C(=O)OC)C1CC1 ZINC000069198265 521756000 /nfs/dbraw/zinc/75/60/00/521756000.db2.gz OISZMTBVZYGCOX-FZMZJTMJSA-N 1 2 257.374 2.121 10 0 CEAELO C[NH2+][C@@H](CCOc1cccc2ccc(C)nc21)C(=O)OC ZINC000062594718 522348737 /nfs/dbraw/zinc/34/87/37/522348737.db2.gz BPHCCASPFSAOBZ-ZDUSSCGKSA-N 1 2 288.347 2.073 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)n1c(C)nc2ccccc21)C(=O)OC ZINC000068648750 522421415 /nfs/dbraw/zinc/42/14/15/522421415.db2.gz YIUJVQVLMNOAST-ZBEGNZNMSA-N 1 2 289.379 2.447 10 0 CEAELO COCc1cc(NN)[nH+]c(C2(c3ccccc3)CCC2)n1 ZINC000062782186 522934514 /nfs/dbraw/zinc/93/45/14/522934514.db2.gz SLTYQOVTOUEOJI-UHFFFAOYSA-N 1 2 284.363 2.379 10 0 CEAELO COc1cc2[nH]c(C3CCOCC3)[nH+]c2cc1OC ZINC000061673109 523064228 /nfs/dbraw/zinc/06/42/28/523064228.db2.gz AYRFRHSEYOZUJV-UHFFFAOYSA-N 1 2 262.309 2.474 10 0 CEAELO COCc1cccc(OCC[C@H]([NH2+]C(C)C)C(=O)OC)c1 ZINC000069508678 523083357 /nfs/dbraw/zinc/08/33/57/523083357.db2.gz RSYPDCAPOIYSKX-HNNXBMFYSA-N 1 2 295.379 2.142 10 0 CEAELO CC[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N)CCO1 ZINC000050813679 523448818 /nfs/dbraw/zinc/44/88/18/523448818.db2.gz WGEJJLZCGVIXPJ-CQSZACIVSA-N 1 2 271.364 2.428 10 0 CEAELO CC[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N)CCO1 ZINC000050813679 523448825 /nfs/dbraw/zinc/44/88/25/523448825.db2.gz WGEJJLZCGVIXPJ-CQSZACIVSA-N 1 2 271.364 2.428 10 0 CEAELO COC(=O)[C@@H](CCOc1ccc(C)cc1)[NH2+]C(C)C ZINC000062543643 523574214 /nfs/dbraw/zinc/57/42/14/523574214.db2.gz UGGHQMOTWOOABH-CQSZACIVSA-N 1 2 265.353 2.304 10 0 CEAELO COC(=O)[C@@H]([NH2+]CC1CC1)c1cccc2cccnc21 ZINC000069503452 523626903 /nfs/dbraw/zinc/62/69/03/523626903.db2.gz UZKIHKBQUXWKFM-HNNXBMFYSA-N 1 2 270.332 2.449 10 0 CEAELO COc1ccc(C(C)=O)cc1CN1CCn2cc[nH+]c2C1 ZINC000060394349 523792408 /nfs/dbraw/zinc/79/24/08/523792408.db2.gz APKRFNYLGAGXCE-UHFFFAOYSA-N 1 2 285.347 2.110 10 0 CEAELO COC(=O)[C@@](C)(C[C@@H](C)n1cc(Cl)c(C)n1)[NH2+]C1CC1 ZINC000068650674 523815592 /nfs/dbraw/zinc/81/55/92/523815592.db2.gz DLARFWWFRLYACG-YMTOWFKASA-N 1 2 299.802 2.480 10 0 CEAELO COC(=O)[C@@](CSC(C)C)([NH2+]C(C)C)C1CC1 ZINC000069188548 523823361 /nfs/dbraw/zinc/82/33/61/523823361.db2.gz WLUHUXBIRFXQMU-ZDUSSCGKSA-N 1 2 259.415 2.448 10 0 CEAELO CC[C@H](C)C[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000054472099 523884790 /nfs/dbraw/zinc/88/47/90/523884790.db2.gz XDMDPHVDVHNLTQ-QMMMGPOBSA-N 1 2 251.355 2.120 10 0 CEAELO COC(=O)[C@](C)(C[C@H](C)N(C)CC(F)(F)F)[NH2+]C(C)C ZINC000068627546 524000208 /nfs/dbraw/zinc/00/02/08/524000208.db2.gz ULGZXRIAVBUDQM-JQWIXIFHSA-N 1 2 298.349 2.189 10 0 CEAELO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069131843 524299641 /nfs/dbraw/zinc/29/96/41/524299641.db2.gz UMYAFDIEBBNSAC-SRCQZFHVSA-N 1 2 294.439 2.482 10 0 CEAELO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069131843 524299649 /nfs/dbraw/zinc/29/96/49/524299649.db2.gz UMYAFDIEBBNSAC-SRCQZFHVSA-N 1 2 294.439 2.482 10 0 CEAELO C[C@@H](CN1CCn2cc[nH+]c2C1)C(=O)c1ccccc1 ZINC000062321651 524633226 /nfs/dbraw/zinc/63/32/26/524633226.db2.gz LFYWQGHWZSAZER-ZDUSSCGKSA-N 1 2 269.348 2.218 10 0 CEAELO C[C@@]([NH3+])(c1nc(-c2ccncc2)no1)c1ccccc1 ZINC000052879348 525752239 /nfs/dbraw/zinc/75/22/39/525752239.db2.gz ZDSNXBLXJAVFON-HNNXBMFYSA-N 1 2 266.304 2.354 10 0 CEAELO CSCc1noc([C@H]2[NH2+]CCc3ccccc32)n1 ZINC000054494150 525771713 /nfs/dbraw/zinc/77/17/13/525771713.db2.gz ONNIHKISCLUTLV-LBPRGKRZSA-N 1 2 261.350 2.168 10 0 CEAELO COc1cccc(OC)c1OCc1ccc(N)[nH+]c1 ZINC000050830516 526223467 /nfs/dbraw/zinc/22/34/67/526223467.db2.gz MKPVAPSEJWPLTJ-UHFFFAOYSA-N 1 2 260.293 2.260 10 0 CEAELO c1ccc([C@H]2C[N@H+](Cc3cccnc3)CCN2)cc1 ZINC000068693513 526499234 /nfs/dbraw/zinc/49/92/34/526499234.db2.gz FEZJMBNAICLMOE-MRXNPFEDSA-N 1 2 253.349 2.228 10 0 CEAELO c1ccc([C@H]2C[N@@H+](Cc3cccnc3)CCN2)cc1 ZINC000068693513 526499238 /nfs/dbraw/zinc/49/92/38/526499238.db2.gz FEZJMBNAICLMOE-MRXNPFEDSA-N 1 2 253.349 2.228 10 0 CEAELO O=C(CCc1ccc(O)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000184007458 526591782 /nfs/dbraw/zinc/59/17/82/526591782.db2.gz BSCBKWJNCVOEAU-OAHLLOKOSA-N 1 2 299.374 2.213 10 0 CEAELO O=C(N[C@@H]1C=CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000157906587 526875826 /nfs/dbraw/zinc/87/58/26/526875826.db2.gz JRLMPMUKNWMARL-ZIAGYGMSSA-N 1 2 274.368 2.166 10 0 CEAELO Cc1[nH]c(CNc2ccc(C(=O)NC(C)C)cc2)c[nH+]1 ZINC000054822341 526898067 /nfs/dbraw/zinc/89/80/67/526898067.db2.gz IGPZRVZBXKYFHW-UHFFFAOYSA-N 1 2 272.352 2.468 10 0 CEAELO Cc1[nH]cc(CNc2ccc(C(=O)NC(C)C)cc2)[nH+]1 ZINC000054822341 526898073 /nfs/dbraw/zinc/89/80/73/526898073.db2.gz IGPZRVZBXKYFHW-UHFFFAOYSA-N 1 2 272.352 2.468 10 0 CEAELO Clc1nc(-n2cc[nH+]c2)nc(-n2ncc3ccccc32)n1 ZINC000061543084 527003699 /nfs/dbraw/zinc/00/36/99/527003699.db2.gz WDDPZXUQLSFIGS-UHFFFAOYSA-N 1 2 297.709 2.050 10 0 CEAELO NC(=S)c1cc(C[N@H+](Cc2ccco2)C2CC2)ccn1 ZINC000068752583 527114371 /nfs/dbraw/zinc/11/43/71/527114371.db2.gz XCKHAIITSJCVIY-UHFFFAOYSA-N 1 2 287.388 2.473 10 0 CEAELO NC(=S)c1cc(C[N@@H+](Cc2ccco2)C2CC2)ccn1 ZINC000068752583 527114374 /nfs/dbraw/zinc/11/43/74/527114374.db2.gz XCKHAIITSJCVIY-UHFFFAOYSA-N 1 2 287.388 2.473 10 0 CEAELO NC(=S)c1cc(N2CCN(c3ccccc3)CC2)cc[nH+]1 ZINC000061812070 527115161 /nfs/dbraw/zinc/11/51/61/527115161.db2.gz LHSFDHAAHGOHRS-UHFFFAOYSA-N 1 2 298.415 2.042 10 0 CEAELO [NH3+][C@@H](c1nnc([C@H]2CCCCO2)o1)c1ccccc1 ZINC000050973770 527340635 /nfs/dbraw/zinc/34/06/35/527340635.db2.gz ACDMEBLFWIHETJ-VXGBXAGGSA-N 1 2 259.309 2.359 10 0 CEAELO [NH3+][C@H](CO)c1nc(C2(c3ccccc3)CCCCC2)no1 ZINC000062782439 527386766 /nfs/dbraw/zinc/38/67/66/527386766.db2.gz KLRQXVLIPLQLAR-CYBMUJFWSA-N 1 2 287.363 2.312 10 0 CEAELO Nc1ccc(NC(=O)C2(c3ccccc3)CC2)c[nH+]1 ZINC000061680260 527491264 /nfs/dbraw/zinc/49/12/64/527491264.db2.gz XNEVNRGIHCBDPP-UHFFFAOYSA-N 1 2 253.305 2.334 10 0 CEAELO Nc1ccc(NC(=O)c2cncc(Br)c2)c[nH+]1 ZINC000061680382 527495210 /nfs/dbraw/zinc/49/52/10/527495210.db2.gz AJUFJPANZBTCTC-UHFFFAOYSA-N 1 2 293.124 2.074 10 0 CEAELO Nc1cnn(CCn2cc[nH+]c2-c2ccccc2)c1 ZINC000050615016 527538830 /nfs/dbraw/zinc/53/88/30/527538830.db2.gz XWDJRPBEKXUUBE-UHFFFAOYSA-N 1 2 253.309 2.029 10 0 CEAELO CCn1cc([C@@H]2C[N@H+](Cc3cccc(O)c3)CCO2)cn1 ZINC000191710542 536092047 /nfs/dbraw/zinc/09/20/47/536092047.db2.gz INWRAYMKQYIWBA-INIZCTEOSA-N 1 2 287.363 2.182 10 0 CEAELO CCn1cc([C@@H]2C[N@@H+](Cc3cccc(O)c3)CCO2)cn1 ZINC000191710542 536092050 /nfs/dbraw/zinc/09/20/50/536092050.db2.gz INWRAYMKQYIWBA-INIZCTEOSA-N 1 2 287.363 2.182 10 0 CEAELO CC1=C(c2nnc([C@H]3C[N@@H+](C)C[C@@H](C)O3)o2)CCCO1 ZINC000888078954 624708149 /nfs/dbraw/zinc/70/81/49/624708149.db2.gz MZWVLEXRUQSFRA-BXKDBHETSA-N 1 2 279.340 2.003 10 0 CEAELO CC1=C(c2nnc([C@H]3C[N@H+](C)C[C@@H](C)O3)o2)CCCO1 ZINC000888078954 624708155 /nfs/dbraw/zinc/70/81/55/624708155.db2.gz MZWVLEXRUQSFRA-BXKDBHETSA-N 1 2 279.340 2.003 10 0 CEAELO C[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc(O)c1 ZINC000827763867 636415344 /nfs/dbraw/zinc/41/53/44/636415344.db2.gz COBJCCMBHYBMKS-DZGCQCFKSA-N 1 2 299.374 2.383 10 0 CEAELO CCC1CCC(c2noc(C[NH2+]CCOC)n2)CC1 ZINC000087939366 639859575 /nfs/dbraw/zinc/85/95/75/639859575.db2.gz XPGKLMMFQNQSCV-UHFFFAOYSA-N 1 2 267.373 2.489 10 0 CEAELO O=C(Nc1ccc(F)nc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180545108 641467502 /nfs/dbraw/zinc/46/75/02/641467502.db2.gz JEAPVUSELFLHAM-GFCCVEGCSA-N 1 2 289.314 2.114 10 0 CEAELO [NH3+][C@H](c1noc(C(F)F)n1)c1ccc(F)cc1F ZINC000095532975 185005672 /nfs/dbraw/zinc/00/56/72/185005672.db2.gz UVFAGMDHCFYIBP-ZETCQYMHSA-N 1 2 261.178 2.334 10 0 CEAELO Cc1cnc(C)c(N2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000273841678 192331013 /nfs/dbraw/zinc/33/10/13/192331013.db2.gz HVWROGZLZZXNBB-AWEZNQCLSA-N 1 2 283.379 2.427 10 0 CEAELO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc2ccccc2n1 ZINC000124858043 365660646 /nfs/dbraw/zinc/66/06/46/365660646.db2.gz BFSDXMHXTGKMKD-GFCCVEGCSA-N 1 2 292.404 2.100 10 0 CEAELO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000124858043 365660650 /nfs/dbraw/zinc/66/06/50/365660650.db2.gz BFSDXMHXTGKMKD-GFCCVEGCSA-N 1 2 292.404 2.100 10 0 CEAELO CCOC[C@@H]1C[N@H+](Cc2ccco2)Cc2nn(C)cc21 ZINC000096100695 185098249 /nfs/dbraw/zinc/09/82/49/185098249.db2.gz FYSPFHOFNVUEFF-LBPRGKRZSA-N 1 2 275.352 2.149 10 0 CEAELO CCOC[C@@H]1C[N@@H+](Cc2ccco2)Cc2nn(C)cc21 ZINC000096100695 185098250 /nfs/dbraw/zinc/09/82/50/185098250.db2.gz FYSPFHOFNVUEFF-LBPRGKRZSA-N 1 2 275.352 2.149 10 0 CEAELO COc1cc(OC)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000126860698 187266700 /nfs/dbraw/zinc/26/67/00/187266700.db2.gz FGDBJGOWCWLVMU-RYUDHWBXSA-N 1 2 295.379 2.322 10 0 CEAELO COc1cccc(Nc2cc[nH+]c3c2CNC(=O)N3)c1 ZINC000115364581 344282400 /nfs/dbraw/zinc/28/24/00/344282400.db2.gz LPZGBQYZGIBPAY-UHFFFAOYSA-N 1 2 270.292 2.469 10 0 CEAELO C[C@H]1CCSC2(CN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000159149290 344453824 /nfs/dbraw/zinc/45/38/24/344453824.db2.gz IGCZTIYQLWEZHL-VIFPVBQESA-N 1 2 258.387 2.048 10 0 CEAELO Brc1cc(-n2cc[nH+]c2)nc(C2CC2)n1 ZINC000162623497 344468096 /nfs/dbraw/zinc/46/80/96/344468096.db2.gz BAYGLTHWPCJKFY-UHFFFAOYSA-N 1 2 265.114 2.302 10 0 CEAELO Nc1ccc(-c2cnc(N)c(C(F)(F)F)c2)c[nH+]1 ZINC000165714988 344474923 /nfs/dbraw/zinc/47/49/23/344474923.db2.gz XYLUEEFFBWCMBD-UHFFFAOYSA-N 1 2 254.215 2.327 10 0 CEAELO C[C@H](Nc1cc(Br)ncn1)c1[nH]cc[nH+]1 ZINC000229338440 344566063 /nfs/dbraw/zinc/56/60/63/344566063.db2.gz KKKRYFNKTHNXAI-LURJTMIESA-N 1 2 268.118 2.135 10 0 CEAELO CC1(CNc2nc[nH+]c(N)c2Br)CC1 ZINC000232842135 344580202 /nfs/dbraw/zinc/58/02/02/344580202.db2.gz WMAXRKZDBSLJCP-UHFFFAOYSA-N 1 2 257.135 2.033 10 0 CEAELO CC1(CNc2[nH+]cnc(N)c2Br)CC1 ZINC000232842135 344580204 /nfs/dbraw/zinc/58/02/04/344580204.db2.gz WMAXRKZDBSLJCP-UHFFFAOYSA-N 1 2 257.135 2.033 10 0 CEAELO CCN(c1nc[nH+]c(N)c1Br)C(C)C ZINC000233421055 344581756 /nfs/dbraw/zinc/58/17/56/344581756.db2.gz UQCANOPZDUQYGU-UHFFFAOYSA-N 1 2 259.151 2.056 10 0 CEAELO CCN(c1[nH+]cnc(N)c1Br)C(C)C ZINC000233421055 344581759 /nfs/dbraw/zinc/58/17/59/344581759.db2.gz UQCANOPZDUQYGU-UHFFFAOYSA-N 1 2 259.151 2.056 10 0 CEAELO CCOC(=O)[C@@]1([NH3+])CCc2cc(Br)ccc21 ZINC000260420771 344652525 /nfs/dbraw/zinc/65/25/25/344652525.db2.gz LJDJNORMEXPYOW-GFCCVEGCSA-N 1 2 284.153 2.112 10 0 CEAELO CCn1cnnc1[C@@H]1C[N@H+](Cc2ccc(C)s2)CCO1 ZINC000328647278 344758124 /nfs/dbraw/zinc/75/81/24/344758124.db2.gz TWPXUPHNXNMASR-ZDUSSCGKSA-N 1 2 292.408 2.241 10 0 CEAELO CCn1cnnc1[C@@H]1C[N@@H+](Cc2ccc(C)s2)CCO1 ZINC000328647278 344758128 /nfs/dbraw/zinc/75/81/28/344758128.db2.gz TWPXUPHNXNMASR-ZDUSSCGKSA-N 1 2 292.408 2.241 10 0 CEAELO Cc1cc(C)c(C(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000328630273 344756698 /nfs/dbraw/zinc/75/66/98/344756698.db2.gz PSINMURPRFDKHW-ZDUSSCGKSA-N 1 2 287.363 2.428 10 0 CEAELO [NH3+][C@H](c1cscn1)c1nscc1Br ZINC000404699389 344882202 /nfs/dbraw/zinc/88/22/02/344882202.db2.gz DCRVZACXTRFEKH-ZCFIWIBFSA-N 1 2 276.184 2.410 10 0 CEAELO C[C@@H](C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)C1CCOCC1 ZINC000329361309 295729430 /nfs/dbraw/zinc/72/94/30/295729430.db2.gz ILWPCDAQAACZOW-DGCLKSJQSA-N 1 2 277.368 2.136 10 0 CEAELO Cc1cccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000171702887 232269439 /nfs/dbraw/zinc/26/94/39/232269439.db2.gz BWUZCDGQIJRJNV-LBPRGKRZSA-N 1 2 264.394 2.371 10 0 CEAELO Cc1cccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)c1 ZINC000171702887 232269440 /nfs/dbraw/zinc/26/94/40/232269440.db2.gz BWUZCDGQIJRJNV-LBPRGKRZSA-N 1 2 264.394 2.371 10 0 CEAELO CCn1cc[nH+]c1[C@H](NN)[C@H]1CCc2ccccc2C1 ZINC000097563889 185628080 /nfs/dbraw/zinc/62/80/80/185628080.db2.gz LHCHRHCTIOKAMQ-LSDHHAIUSA-N 1 2 270.380 2.213 10 0 CEAELO CCCc1[nH+]c(CC)nc(N)c1I ZINC000085460067 179068978 /nfs/dbraw/zinc/06/89/78/179068978.db2.gz MFYYNQVHAFPREN-UHFFFAOYSA-N 1 2 291.136 2.178 10 0 CEAELO Cc1[nH+]c([C@@H]2C[C@H]2C)nc(N)c1I ZINC000085459592 179069026 /nfs/dbraw/zinc/06/90/26/179069026.db2.gz TUEUIALHLQKBBG-INEUFUBQSA-N 1 2 289.120 2.095 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)Oc1cc(C)ccc1F)C(=O)OC ZINC000085560567 179094333 /nfs/dbraw/zinc/09/43/33/179094333.db2.gz PTBXWDASODCJLM-XHDPSFHLSA-N 1 2 283.343 2.443 10 0 CEAELO [NH3+][C@@]1(c2nc(C3(c4ccccc4)CCC3)no2)CCOC1 ZINC000085852323 179188742 /nfs/dbraw/zinc/18/87/42/179188742.db2.gz HDQTXTVOBCLXNQ-INIZCTEOSA-N 1 2 285.347 2.114 10 0 CEAELO CCCN(Cc1cc(NN)cc[nH+]1)CC(F)(F)F ZINC000086135217 179236354 /nfs/dbraw/zinc/23/63/54/179236354.db2.gz ORSMJAHDLBKTBW-UHFFFAOYSA-N 1 2 262.279 2.142 10 0 CEAELO C[C@H](c1ccco1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776207 179327707 /nfs/dbraw/zinc/32/77/07/179327707.db2.gz ARTYJXUZXGZWQP-TZMCWYRMSA-N 1 2 292.379 2.354 10 0 CEAELO C[C@H](c1ccco1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776207 179327709 /nfs/dbraw/zinc/32/77/09/179327709.db2.gz ARTYJXUZXGZWQP-TZMCWYRMSA-N 1 2 292.379 2.354 10 0 CEAELO CCOC(=O)[C@]1([NH2+]CCOC)CCC[C@H](C)CC1 ZINC000086892087 179366110 /nfs/dbraw/zinc/36/61/10/179366110.db2.gz WWEKWBGILDUKDA-JSGCOSHPSA-N 1 2 257.374 2.125 10 0 CEAELO 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Cc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263245868 371932798 /nfs/dbraw/zinc/93/27/98/371932798.db2.gz PGYFMGQZADIDQN-OCCSQVGLSA-N 1 2 294.345 2.308 10 0 CEAELO CCCOc1cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)ccc1OC ZINC000344877528 217343293 /nfs/dbraw/zinc/34/32/93/217343293.db2.gz QFXZFUNISRSBME-KGLIPLIRSA-N 1 2 297.370 2.389 10 0 CEAELO CCCOc1cc(C[N@H+]2C[C@H](F)C[C@H]2CO)ccc1OC ZINC000344877528 217343297 /nfs/dbraw/zinc/34/32/97/217343297.db2.gz QFXZFUNISRSBME-KGLIPLIRSA-N 1 2 297.370 2.389 10 0 CEAELO CCOC(=O)[C@H](C)[NH+]1CCC(c2nccs2)CC1 ZINC000373992449 374464030 /nfs/dbraw/zinc/46/40/30/374464030.db2.gz LZASHTYVXYLJGS-JTQLQIEISA-N 1 2 268.382 2.274 10 0 CEAELO NNc1ccnc(-c2cscc2Br)[nH+]1 ZINC000307618201 376569689 /nfs/dbraw/zinc/56/96/89/376569689.db2.gz YKQISGNREDNCTF-UHFFFAOYSA-N 1 2 271.143 2.253 10 0 CEAELO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2nnnn2C(C)C)C1 ZINC000174347059 249326794 /nfs/dbraw/zinc/32/67/94/249326794.db2.gz WPOLTPZBJKVQSV-NEPJUHHUSA-N 1 2 283.445 2.360 10 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295.330 2.022 10 0 CEAELO COCC[C@@H](C)Nc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000081716084 177843527 /nfs/dbraw/zinc/84/35/27/177843527.db2.gz DUXVWGGFBBUKMP-SECBINFHSA-N 1 2 279.409 2.041 10 0 CEAELO O=C(C[C@@H]1CCCc2ccccc21)[C@@H]1C[NH+]2CCN1CC2 ZINC000094507182 184812215 /nfs/dbraw/zinc/81/22/15/184812215.db2.gz XILYKTNOTHDQHU-RDJZCZTQSA-N 1 2 284.403 2.066 10 0 CEAELO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC000189990347 130047666 /nfs/dbraw/zinc/04/76/66/130047666.db2.gz RFFUQVOHIYBHJG-INIZCTEOSA-N 1 2 293.363 2.231 10 0 CEAELO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(OC)cc(OC)c1 ZINC000189990347 130047667 /nfs/dbraw/zinc/04/76/67/130047667.db2.gz RFFUQVOHIYBHJG-INIZCTEOSA-N 1 2 293.363 2.231 10 0 CEAELO COc1cc[nH+]c(CN2CCO[C@H]3CCCC[C@@H]32)c1OC ZINC000190396876 130098480 /nfs/dbraw/zinc/09/84/80/130098480.db2.gz JMALHCUVIUFJJW-KBPBESRZSA-N 1 2 292.379 2.242 10 0 CEAELO COc1ccnc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1OC ZINC000190396876 130098481 /nfs/dbraw/zinc/09/84/81/130098481.db2.gz JMALHCUVIUFJJW-KBPBESRZSA-N 1 2 292.379 2.242 10 0 CEAELO COc1ccnc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1OC ZINC000190396876 130098484 /nfs/dbraw/zinc/09/84/84/130098484.db2.gz JMALHCUVIUFJJW-KBPBESRZSA-N 1 2 292.379 2.242 10 0 CEAELO C[C@@H]1OCCC[C@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000191278390 130214477 /nfs/dbraw/zinc/21/44/77/130214477.db2.gz IPVVJNKIEXYKRB-UONOGXRCSA-N 1 2 291.395 2.205 10 0 CEAELO CCC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000085682134 135037613 /nfs/dbraw/zinc/03/76/13/135037613.db2.gz ZNNAAJGRDQQYDZ-CYBMUJFWSA-N 1 2 276.380 2.185 10 0 CEAELO Cc1nc(C[NH+]2CCN(c3ccccc3N)CC2)cs1 ZINC000089234581 135058879 /nfs/dbraw/zinc/05/88/79/135058879.db2.gz PTUJMHZQNGPXOS-UHFFFAOYSA-N 1 2 288.420 2.356 10 0 CEAELO Cc1cc[nH+]c2c1NC(=O)[C@H]1Cc3ccccc3CN21 ZINC000092555285 135076713 /nfs/dbraw/zinc/07/67/13/135076713.db2.gz XYNULTMVVXAPMT-CYBMUJFWSA-N 1 2 265.316 2.273 10 0 CEAELO CC(C)(O)CC[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000092801138 135077447 /nfs/dbraw/zinc/07/74/47/135077447.db2.gz 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/nfs/dbraw/zinc/35/12/45/395351245.db2.gz HWMDTGQRYMFZSJ-LBPRGKRZSA-N 1 2 296.798 2.099 10 0 CEAELO O[C@@H](C[N@@H+]1CCO[C@@H](c2nccs2)C1)C1CCCCC1 ZINC000191328813 153167410 /nfs/dbraw/zinc/16/74/10/153167410.db2.gz SPZYFWPBMMGABX-UONOGXRCSA-N 1 2 296.436 2.458 10 0 CEAELO O[C@@H](C[N@H+]1CCO[C@@H](c2nccs2)C1)C1CCCCC1 ZINC000191328813 153167414 /nfs/dbraw/zinc/16/74/14/153167414.db2.gz SPZYFWPBMMGABX-UONOGXRCSA-N 1 2 296.436 2.458 10 0 CEAELO C[C@@H](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000194844734 153264411 /nfs/dbraw/zinc/26/44/11/153264411.db2.gz GTROSFUDNDURBI-DZGCQCFKSA-N 1 2 282.428 2.040 10 0 CEAELO C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000194844734 153264415 /nfs/dbraw/zinc/26/44/15/153264415.db2.gz GTROSFUDNDURBI-DZGCQCFKSA-N 1 2 282.428 2.040 10 0 CEAELO CCc1nnc(C[NH+]2CCC(OCCC(C)C)CC2)n1C ZINC000195083575 153278167 /nfs/dbraw/zinc/27/81/67/153278167.db2.gz YTYSRSCPYVMMDO-UHFFFAOYSA-N 1 2 294.443 2.405 10 0 CEAELO CCn1ccnc1C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195518396 153290487 /nfs/dbraw/zinc/29/04/87/153290487.db2.gz PYWFDWGJYLJWIZ-ZDUSSCGKSA-N 1 2 289.383 2.049 10 0 CEAELO CCn1ccnc1C[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195518396 153290491 /nfs/dbraw/zinc/29/04/91/153290491.db2.gz PYWFDWGJYLJWIZ-ZDUSSCGKSA-N 1 2 289.383 2.049 10 0 CEAELO COC(=O)c1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)o1 ZINC000195506500 153293952 /nfs/dbraw/zinc/29/39/52/153293952.db2.gz OWXFHMJUSOPSBC-UHFFFAOYSA-N 1 2 289.335 2.169 10 0 CEAELO CCCCC[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173768325 165083114 /nfs/dbraw/zinc/08/31/14/165083114.db2.gz CLCBHZXZESJEJX-CABCVRRESA-N 1 2 297.443 2.071 10 0 CEAELO CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000178228908 165227720 /nfs/dbraw/zinc/22/77/20/165227720.db2.gz RCIYQBGPKULWAD-GFCCVEGCSA-N 1 2 271.382 2.240 10 0 CEAELO CC(C)S(=O)(=O)CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000178228908 165227724 /nfs/dbraw/zinc/22/77/24/165227724.db2.gz RCIYQBGPKULWAD-GFCCVEGCSA-N 1 2 271.382 2.240 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc(N)c1)C2 ZINC000178785430 165259786 /nfs/dbraw/zinc/25/97/86/165259786.db2.gz MZWMHCYJPCGKBO-UHFFFAOYSA-N 1 2 298.390 2.324 10 0 CEAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)C(=O)NC(C)(C)C ZINC000035164432 172026102 /nfs/dbraw/zinc/02/61/02/172026102.db2.gz OSNABDGEHNGHFC-LLVKDONJSA-N 1 2 263.385 2.468 10 0 CEAELO COC(=O)[C@@H]([NH2+]Cc1cc(C)c(O)c(C)c1)C(C)C ZINC000035346155 172137653 /nfs/dbraw/zinc/13/76/53/172137653.db2.gz DBMGKDKKYCSGBY-ZDUSSCGKSA-N 1 2 265.353 2.296 10 0 CEAELO CCC[NH2+][C@](CC)(C(=O)OC)c1ccc(OC)cc1 ZINC000037459199 173223967 /nfs/dbraw/zinc/22/39/67/173223967.db2.gz RTTSYFPYLVZSRG-HNNXBMFYSA-N 1 2 265.353 2.473 10 0 CEAELO CC[C@@H](C)[NH2+][C@](C)(C(=O)OC)c1ccc(OC)cc1 ZINC000038067032 174078467 /nfs/dbraw/zinc/07/84/67/174078467.db2.gz QFABQDICNQWJMN-ABAIWWIYSA-N 1 2 265.353 2.472 10 0 CEAELO CCOC(=O)[C@@H]([NH2+][C@@H](C)CC)c1ccc(O)cc1 ZINC000038067853 174079891 /nfs/dbraw/zinc/07/98/91/174079891.db2.gz LCGXDPWCDCKHOG-GWCFXTLKSA-N 1 2 251.326 2.385 10 0 CEAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCOCC1 ZINC000040231397 174209802 /nfs/dbraw/zinc/20/98/02/174209802.db2.gz PIVIPVVOIHOUSH-UHFFFAOYSA-N 1 2 287.363 2.019 10 0 CEAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)NC1CC1 ZINC000040295894 174223537 /nfs/dbraw/zinc/22/35/37/174223537.db2.gz VYPMEGIIFXCUPA-UHFFFAOYSA-N 1 2 255.321 2.192 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1NCc1cscn1 ZINC000040504286 174301011 /nfs/dbraw/zinc/30/10/11/174301011.db2.gz MFGOSNWIPQFSFT-UHFFFAOYSA-N 1 2 264.354 2.225 10 0 CEAELO Cc1nc(C)c([C@@H](C)[NH2+]Cc2nnc(C)n2C)s1 ZINC000040518622 174308209 /nfs/dbraw/zinc/30/82/09/174308209.db2.gz JBGSDBAPLKISSL-SSDOTTSWSA-N 1 2 265.386 2.048 10 0 CEAELO CCCNc1[nH+]cnc(-n2cnc3ccccc32)c1N ZINC000040707989 174380422 /nfs/dbraw/zinc/38/04/22/174380422.db2.gz ODMOBUSYSPUGQI-UHFFFAOYSA-N 1 2 268.324 2.220 10 0 CEAELO Cc1nc([C@@H](C)NCc2c[nH+]c3n2CCC3)cs1 ZINC000657353831 414880888 /nfs/dbraw/zinc/88/08/88/414880888.db2.gz MVAKITOZOGLIDV-SECBINFHSA-N 1 2 262.382 2.445 10 0 CEAELO CCN(CC[C@](C)([NH2+]C(C)C)C(=O)OC)CC(F)(F)F ZINC000045274148 175344378 /nfs/dbraw/zinc/34/43/78/175344378.db2.gz NNGOUDVBGKJELY-LBPRGKRZSA-N 1 2 298.349 2.190 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045278969 175349443 /nfs/dbraw/zinc/34/94/43/175349443.db2.gz NPMWVXSMJYOCJI-GZBFAFLISA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045278969 175349444 /nfs/dbraw/zinc/34/94/44/175349444.db2.gz NPMWVXSMJYOCJI-GZBFAFLISA-N 1 2 270.417 2.340 10 0 CEAELO C[C@H](Nc1ccc(N2CCNC2=O)cc1)c1[nH+]ccn1C ZINC000070444520 175936675 /nfs/dbraw/zinc/93/66/75/175936675.db2.gz OVPIATGANGAWAQ-NSHDSACASA-N 1 2 285.351 2.123 10 0 CEAELO C[C@H](Nc1ccc(-n2cncn2)c(F)c1)c1[nH+]ccn1C ZINC000070445170 175937677 /nfs/dbraw/zinc/93/76/77/175937677.db2.gz NRUTZQMMAFSINJ-JTQLQIEISA-N 1 2 286.314 2.313 10 0 CEAELO Cc1ccc(C(=O)[O-])c(NCC[N@@H+](C)C2CCCC2)[nH+]1 ZINC000071380090 176144108 /nfs/dbraw/zinc/14/41/08/176144108.db2.gz LTXZCJHCLWCPJY-UHFFFAOYSA-N 1 2 277.368 2.375 10 0 CEAELO Cc1ccc(C(=O)[O-])c(NCC[N@H+](C)C2CCCC2)[nH+]1 ZINC000071380090 176144110 /nfs/dbraw/zinc/14/41/10/176144110.db2.gz LTXZCJHCLWCPJY-UHFFFAOYSA-N 1 2 277.368 2.375 10 0 CEAELO Cc1ccc(N)c(C[NH+]2CCN(CC(F)(F)F)CC2)c1 ZINC000071384059 176147150 /nfs/dbraw/zinc/14/71/50/176147150.db2.gz PBDNQGMVNAVCQL-UHFFFAOYSA-N 1 2 287.329 2.257 10 0 CEAELO COc1ccc(C(=O)NCc2cn3cc(F)ccc3[nH+]2)cc1 ZINC000071446283 176175434 /nfs/dbraw/zinc/17/54/34/176175434.db2.gz HVWCCLCGEWOWPF-UHFFFAOYSA-N 1 2 299.305 2.412 10 0 CEAELO Cc1cn2ccc(C(=O)Nc3cccnc3)cc2[nH+]1 ZINC000071529268 176194448 /nfs/dbraw/zinc/19/44/48/176194448.db2.gz CNRZQINJNDQCNS-UHFFFAOYSA-N 1 2 252.277 2.290 10 0 CEAELO Cc1cc(NC(=O)Cc2cn3ccc(C)cc3[nH+]2)no1 ZINC000071529728 176194483 /nfs/dbraw/zinc/19/44/83/176194483.db2.gz KUVBVHJVBZPUFF-UHFFFAOYSA-N 1 2 270.292 2.120 10 0 CEAELO CCc1[nH+]c2ccc(C(=O)NC[C@@H]3CCCO3)cn2c1C ZINC000071540620 176195452 /nfs/dbraw/zinc/19/54/52/176195452.db2.gz ZKDUPDHODKTNHS-ZDUSSCGKSA-N 1 2 287.363 2.114 10 0 CEAELO Cc1cc(NC(=O)[C@@H]2NC(=O)O[C@H]2c2ccccc2)cc[nH+]1 ZINC000074695041 176600979 /nfs/dbraw/zinc/60/09/79/176600979.db2.gz JPQWSOAOVAKIDD-KGLIPLIRSA-N 1 2 297.314 2.178 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000076725116 177071068 /nfs/dbraw/zinc/07/10/68/177071068.db2.gz UOZMXBRDNDYCOK-GFCCVEGCSA-N 1 2 281.425 2.332 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000076725116 177071070 /nfs/dbraw/zinc/07/10/70/177071070.db2.gz UOZMXBRDNDYCOK-GFCCVEGCSA-N 1 2 281.425 2.332 10 0 CEAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCCC1CCCCC1 ZINC000077365192 177257748 /nfs/dbraw/zinc/25/77/48/177257748.db2.gz SSFQYKGPMDCMGO-KBPBESRZSA-N 1 2 282.428 2.182 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)[C@@H]1CCCc2ccccc21 ZINC000078723587 177375573 /nfs/dbraw/zinc/37/55/73/177375573.db2.gz OQVOYJTUMQGPNX-OAHLLOKOSA-N 1 2 269.348 2.189 10 0 CEAELO 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LYUVFVOTTSVJMP-BXUZGUMPSA-N 1 2 250.317 2.352 10 0 CEAELO C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000333328521 205221244 /nfs/dbraw/zinc/22/12/44/205221244.db2.gz MGTVTEWAKFCRSJ-IPYPFGDCSA-N 1 2 289.379 2.433 10 0 CEAELO Cc1c(I)[nH+]c2n1CCCC2 ZINC000095761095 291563327 /nfs/dbraw/zinc/56/33/27/291563327.db2.gz JXEIXEVWNRZWMM-UHFFFAOYSA-N 1 2 262.094 2.132 10 0 CEAELO COC(=O)c1cccnc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000305976019 376532732 /nfs/dbraw/zinc/53/27/32/376532732.db2.gz QOBCNOCKVVTFHM-WDEREUQCSA-N 1 2 280.393 2.194 10 0 CEAELO COC(=O)c1cccnc1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000305976019 376532737 /nfs/dbraw/zinc/53/27/37/376532737.db2.gz QOBCNOCKVVTFHM-WDEREUQCSA-N 1 2 280.393 2.194 10 0 CEAELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1noc(-c2ccsc2)n1 ZINC000296502741 378554756 /nfs/dbraw/zinc/55/47/56/378554756.db2.gz ZHMFXWOYRMMQOB-GXSJLCMTSA-N 1 2 279.365 2.143 10 0 CEAELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1noc(-c2ccsc2)n1 ZINC000296502741 378554759 /nfs/dbraw/zinc/55/47/59/378554759.db2.gz ZHMFXWOYRMMQOB-GXSJLCMTSA-N 1 2 279.365 2.143 10 0 CEAELO CCC[C@@H]1C[C@@H]1Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000301419809 379278896 /nfs/dbraw/zinc/27/88/96/379278896.db2.gz DJESTGAMKBMESQ-MJBXVCDLSA-N 1 2 290.411 2.286 10 0 CEAELO CCC[C@@H]1C[C@@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000301419809 379278901 /nfs/dbraw/zinc/27/89/01/379278901.db2.gz DJESTGAMKBMESQ-MJBXVCDLSA-N 1 2 290.411 2.286 10 0 CEAELO Cc1cc(N(CCO)Cc2cccc(Cl)c2)nc[nH+]1 ZINC000302716341 379433245 /nfs/dbraw/zinc/43/32/45/379433245.db2.gz JPIHNXDGOMINQO-UHFFFAOYSA-N 1 2 277.755 2.437 10 0 CEAELO CCN(C[C@@H](C)C(=O)OC)c1nc(C)[nH+]c2c1CCCC2 ZINC000302086284 285004311 /nfs/dbraw/zinc/00/43/11/285004311.db2.gz KQKBIKPZHPGAEK-LLVKDONJSA-N 1 2 291.395 2.299 10 0 CEAELO [NH3+][C@@H]1CCCC[C@H]1Nc1c2ccccc2[nH+]nc1C(=O)[O-] ZINC000081667139 177837865 /nfs/dbraw/zinc/83/78/65/177837865.db2.gz YMANXAJPOAURDN-ZYHUDNBSSA-N 1 2 286.335 2.010 10 0 CEAELO CCCc1nn(-c2cc(C)[nH+]c(C)n2)c(Cl)c1CO ZINC000094259103 184770409 /nfs/dbraw/zinc/77/04/09/184770409.db2.gz WZBICJIQEYTBDM-UHFFFAOYSA-N 1 2 280.759 2.377 10 0 CEAELO C[C@H]1CN(c2ccc(N)cc2Br)CC[N@@H+]1C ZINC000082477592 135007339 /nfs/dbraw/zinc/00/73/39/135007339.db2.gz UMGYCYCYOLZGMA-VIFPVBQESA-N 1 2 284.201 2.172 10 0 CEAELO C[C@H]1CN(c2ccc(N)cc2Br)CC[N@H+]1C ZINC000082477592 135007340 /nfs/dbraw/zinc/00/73/40/135007340.db2.gz UMGYCYCYOLZGMA-VIFPVBQESA-N 1 2 284.201 2.172 10 0 CEAELO C[C@@H]1CN(c2ccc(N)cc2Br)CC[N@@H+]1C ZINC000082477591 135007428 /nfs/dbraw/zinc/00/74/28/135007428.db2.gz UMGYCYCYOLZGMA-SECBINFHSA-N 1 2 284.201 2.172 10 0 CEAELO C[C@@H]1CN(c2ccc(N)cc2Br)CC[N@H+]1C ZINC000082477591 135007429 /nfs/dbraw/zinc/00/74/29/135007429.db2.gz UMGYCYCYOLZGMA-SECBINFHSA-N 1 2 284.201 2.172 10 0 CEAELO Cc1cnc(Cl)nc1N1CCN(c2cccc[nH+]2)CC1 ZINC000091657956 135072873 /nfs/dbraw/zinc/07/28/73/135072873.db2.gz VDUJBEADMQBXEL-UHFFFAOYSA-N 1 2 289.770 2.160 10 0 CEAELO Nc1cccc(CN2C(=O)CCc3cc(F)ccc32)[nH+]1 ZINC000092371967 135076116 /nfs/dbraw/zinc/07/61/16/135076116.db2.gz IOHSIPLTMCMFTQ-UHFFFAOYSA-N 1 2 271.295 2.282 10 0 CEAELO COC(=O)[C@H](C)[C@@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000093029494 135078175 /nfs/dbraw/zinc/07/81/75/135078175.db2.gz GTYDROKEGCXSSH-CHWSQXEVSA-N 1 2 292.379 2.133 10 0 CEAELO CC1=C[C@@](O)(c2ccccc2)[C@@H]([NH+]2CCCCC2)N1O ZINC000005296546 394458061 /nfs/dbraw/zinc/45/80/61/394458061.db2.gz MJVFRFVYDHCADO-JKSUJKDBSA-N 1 2 274.364 2.295 10 0 CEAELO COc1ccc([C@H](C)[N@H+](C)Cc2nnnn2C(C)C)cc1 ZINC000195054834 395457499 /nfs/dbraw/zinc/45/74/99/395457499.db2.gz YEZYGIWJXPLWEP-LBPRGKRZSA-N 1 2 289.383 2.456 10 0 CEAELO COc1ccc([C@H](C)[N@@H+](C)Cc2nnnn2C(C)C)cc1 ZINC000195054834 395457503 /nfs/dbraw/zinc/45/75/03/395457503.db2.gz YEZYGIWJXPLWEP-LBPRGKRZSA-N 1 2 289.383 2.456 10 0 CEAELO Cn1nccc1C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000195504541 153290986 /nfs/dbraw/zinc/29/09/86/153290986.db2.gz NWMKBUWZEGQKGW-UHFFFAOYSA-N 1 2 287.367 2.060 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)NC2CCCCCC2)o1 ZINC000230643309 153396082 /nfs/dbraw/zinc/39/60/82/153396082.db2.gz HRSGNCHYHPVISC-GFCCVEGCSA-N 1 2 279.384 2.473 10 0 CEAELO CCCCNc1nc(NC)c(Br)c[nH+]1 ZINC000302183941 154186412 /nfs/dbraw/zinc/18/64/12/154186412.db2.gz SRRXEISQGPNTGH-UHFFFAOYSA-N 1 2 259.151 2.493 10 0 CEAELO CCCc1nc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cs1 ZINC000173945987 165089858 /nfs/dbraw/zinc/08/98/58/165089858.db2.gz OHDBXYCNOVZFLI-AWEZNQCLSA-N 1 2 295.452 2.002 10 0 CEAELO CCCc1nc(C[N@H+]2CC[C@H](N3CCOCC3)C2)cs1 ZINC000173945987 165089860 /nfs/dbraw/zinc/08/98/60/165089860.db2.gz OHDBXYCNOVZFLI-AWEZNQCLSA-N 1 2 295.452 2.002 10 0 CEAELO CCCc1nc(CN2CC[C@H]([NH+]3CCOCC3)C2)cs1 ZINC000173945987 165089864 /nfs/dbraw/zinc/08/98/64/165089864.db2.gz OHDBXYCNOVZFLI-AWEZNQCLSA-N 1 2 295.452 2.002 10 0 CEAELO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1C ZINC000178667599 165250810 /nfs/dbraw/zinc/25/08/10/165250810.db2.gz QWCOFWURLLCCRU-CQSZACIVSA-N 1 2 285.395 2.418 10 0 CEAELO CCc1nnc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1C ZINC000178667599 165250819 /nfs/dbraw/zinc/25/08/19/165250819.db2.gz QWCOFWURLLCCRU-CQSZACIVSA-N 1 2 285.395 2.418 10 0 CEAELO c1ccc2c(c1)nnn2C[C@@H]1[NH+]=CNc2ccccc21 ZINC000005517668 170107314 /nfs/dbraw/zinc/10/73/14/170107314.db2.gz BVJDTROXYNIORW-AWEZNQCLSA-N 1 2 263.304 2.436 10 0 CEAELO CC[NH+](CC)[C@H](C[NH2+]CCC(=O)[O-])c1ccccc1 ZINC000020303461 171140101 /nfs/dbraw/zinc/14/01/01/171140101.db2.gz CLFWZZQJAPSGCU-CQSZACIVSA-N 1 2 264.369 2.134 10 0 CEAELO [NH3+][C@@H](c1nc(-c2ccc(O)cc2)no1)c1ccccc1 ZINC000021817170 171332879 /nfs/dbraw/zinc/33/28/79/171332879.db2.gz COANZTUTQIMVNM-CYBMUJFWSA-N 1 2 267.288 2.490 10 0 CEAELO C[C@@H](Nc1[nH+]cccc1C(N)=S)c1ccccn1 ZINC000035695231 172363641 /nfs/dbraw/zinc/36/36/41/172363641.db2.gz POCIVHVKFAYSJZ-SECBINFHSA-N 1 2 258.350 2.284 10 0 CEAELO Cc1csc(NC(=O)CSc2ccc(N)[nH+]c2)n1 ZINC000037192168 173021297 /nfs/dbraw/zinc/02/12/97/173021297.db2.gz YLZHDXPMZRWIHQ-UHFFFAOYSA-N 1 2 280.378 2.160 10 0 CEAELO C[C@@H](Sc1ccc(N)[nH+]c1)C(=O)NC1CCCC1 ZINC000037192568 173021715 /nfs/dbraw/zinc/02/17/15/173021715.db2.gz HTRLVTKBYDDUGT-SECBINFHSA-N 1 2 265.382 2.203 10 0 CEAELO C[C@@H]1COCC[N@@H+]1Cc1ccc(N)cc1Br ZINC000037460486 173223939 /nfs/dbraw/zinc/22/39/39/173223939.db2.gz GWZAZXNOTZRSIE-SECBINFHSA-N 1 2 285.185 2.252 10 0 CEAELO C[C@@H]1COCC[N@H+]1Cc1ccc(N)cc1Br ZINC000037460486 173223941 /nfs/dbraw/zinc/22/39/41/173223941.db2.gz GWZAZXNOTZRSIE-SECBINFHSA-N 1 2 285.185 2.252 10 0 CEAELO C[C@@H]1C[N@H+](Cc2ccc(N)cc2Br)CCO1 ZINC000037460443 173224207 /nfs/dbraw/zinc/22/42/07/173224207.db2.gz ZWVDGDUTBQXODY-SECBINFHSA-N 1 2 285.185 2.252 10 0 CEAELO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2Br)CCO1 ZINC000037460443 173224210 /nfs/dbraw/zinc/22/42/10/173224210.db2.gz ZWVDGDUTBQXODY-SECBINFHSA-N 1 2 285.185 2.252 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]C2CC2)CCc2ccccc2C1 ZINC000037515825 173247237 /nfs/dbraw/zinc/24/72/37/173247237.db2.gz DHIYQMWEYZHLDD-MRXNPFEDSA-N 1 2 259.349 2.229 10 0 CEAELO CCC[C@@H](CC(=O)N(CC)CCC(=O)OC)n1cc[nH+]c1 ZINC000038023371 174005210 /nfs/dbraw/zinc/00/52/10/174005210.db2.gz QVMPWOAARQNWBP-ZDUSSCGKSA-N 1 2 295.383 2.026 10 0 CEAELO CCCc1noc(C[N@@H+]2CCc3c(N)cccc3C2)n1 ZINC000038032850 174029890 /nfs/dbraw/zinc/02/98/90/174029890.db2.gz RSDMDOHABLTCRV-UHFFFAOYSA-N 1 2 272.352 2.163 10 0 CEAELO CCCc1noc(C[N@H+]2CCc3c(N)cccc3C2)n1 ZINC000038032850 174029892 /nfs/dbraw/zinc/02/98/92/174029892.db2.gz RSDMDOHABLTCRV-UHFFFAOYSA-N 1 2 272.352 2.163 10 0 CEAELO CCCCNc1[nH+]cnc(-n2nc(C)cc2C)c1N ZINC000040706787 174379749 /nfs/dbraw/zinc/37/97/49/174379749.db2.gz NLEVYVHYJCNQQA-UHFFFAOYSA-N 1 2 260.345 2.073 10 0 CEAELO Nc1c(NC2CCCCC2)nc[nH+]c1N1CCCC1 ZINC000040708412 174380193 /nfs/dbraw/zinc/38/01/93/174380193.db2.gz SRDIKWQQIWKQPO-UHFFFAOYSA-N 1 2 261.373 2.404 10 0 CEAELO CCCNc1[nH+]cnc(NNc2ccccc2)c1N ZINC000040707709 174380274 /nfs/dbraw/zinc/38/02/74/174380274.db2.gz URJBESSHNOTQHS-UHFFFAOYSA-N 1 2 258.329 2.320 10 0 CEAELO NC(=S)c1cc[nH+]c(NCCc2ccc(O)cc2)c1 ZINC000040737123 174389715 /nfs/dbraw/zinc/38/97/15/174389715.db2.gz WOYXWZCPGHIHGC-UHFFFAOYSA-N 1 2 273.361 2.076 10 0 CEAELO CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000662862275 414779052 /nfs/dbraw/zinc/77/90/52/414779052.db2.gz JAFPWQCDPWGUJK-ZDUSSCGKSA-N 1 2 282.334 2.341 10 0 CEAELO CC(C)c1n[nH]c(=S)n1CCc1[nH+]ccn1C ZINC000045135859 175313543 /nfs/dbraw/zinc/31/35/43/175313543.db2.gz PRQITEUVKRDPDB-UHFFFAOYSA-N 1 2 251.359 2.040 10 0 CEAELO CC[NH2+][C@@](C)(CCN1c2ccccc2C[C@@H]1C)C(=O)OC ZINC000045222703 175330669 /nfs/dbraw/zinc/33/06/69/175330669.db2.gz FZTWPHCILWMGSL-GUYCJALGSA-N 1 2 290.407 2.369 10 0 CEAELO CC[N@H+](C[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CCCCC1 ZINC000045224014 175332001 /nfs/dbraw/zinc/33/20/01/175332001.db2.gz YACYDRKQUGFBFN-OAHLLOKOSA-N 1 2 270.417 2.482 10 0 CEAELO CC[N@@H+](C[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CCCCC1 ZINC000045224014 175332002 /nfs/dbraw/zinc/33/20/02/175332002.db2.gz YACYDRKQUGFBFN-OAHLLOKOSA-N 1 2 270.417 2.482 10 0 CEAELO COC(=O)[C@](C)(CCN(C)c1ccccc1)[NH2+]C(C)C ZINC000045227741 175333539 /nfs/dbraw/zinc/33/35/39/175333539.db2.gz IPHYCVSUTSNTMY-INIZCTEOSA-N 1 2 278.396 2.443 10 0 CEAELO CC[NH2+][C@@](C)(CN(CC)c1ccccc1)C(=O)OC ZINC000045232064 175335735 /nfs/dbraw/zinc/33/57/35/175335735.db2.gz HGWIKOZDQZTDND-HNNXBMFYSA-N 1 2 264.369 2.054 10 0 CEAELO CCC[NH2+][C@@](CN(C)[C@@H](C)CC)(C(N)=O)c1ccccc1 ZINC000045263796 175337960 /nfs/dbraw/zinc/33/79/60/175337960.db2.gz HOYOUYAFFGBYNW-WMLDXEAASA-N 1 2 291.439 2.097 10 0 CEAELO CC[NH2+][C@](C)(CCN(CC(F)(F)F)C(C)C)C(=O)OC ZINC000045273983 175344513 /nfs/dbraw/zinc/34/45/13/175344513.db2.gz OOOBYVXSTBQYHO-GFCCVEGCSA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@](C)(C[N@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277750 175347406 /nfs/dbraw/zinc/34/74/06/175347406.db2.gz ZHDGAWILKOXAAH-CQSZACIVSA-N 1 2 258.406 2.197 10 0 CEAELO CC[NH2+][C@](C)(C[N@@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277750 175347408 /nfs/dbraw/zinc/34/74/08/175347408.db2.gz ZHDGAWILKOXAAH-CQSZACIVSA-N 1 2 258.406 2.197 10 0 CEAELO CC[N@H+](C[C@@H]([NH2+]C(C)C)C(=O)[O-])C1CCCCC1 ZINC000045372090 175364254 /nfs/dbraw/zinc/36/42/54/175364254.db2.gz BGXVTXJVCHKKCB-CYBMUJFWSA-N 1 2 256.390 2.092 10 0 CEAELO CC[N@@H+](C[C@@H]([NH2+]C(C)C)C(=O)[O-])C1CCCCC1 ZINC000045372090 175364255 /nfs/dbraw/zinc/36/42/55/175364255.db2.gz BGXVTXJVCHKKCB-CYBMUJFWSA-N 1 2 256.390 2.092 10 0 CEAELO CC[N@H+](CCCC[C@](C)([NH3+])C(=O)[O-])c1ccccc1 ZINC000045379772 175369205 /nfs/dbraw/zinc/36/92/05/175369205.db2.gz KDRAKFSIDSCBEQ-HNNXBMFYSA-N 1 2 264.369 2.485 10 0 CEAELO CC[N@@H+](CCCC[C@](C)([NH3+])C(=O)[O-])c1ccccc1 ZINC000045379772 175369206 /nfs/dbraw/zinc/36/92/06/175369206.db2.gz KDRAKFSIDSCBEQ-HNNXBMFYSA-N 1 2 264.369 2.485 10 0 CEAELO CCC[NH2+][C@H](CN(CCC)CC(F)(F)F)C(=O)OCC ZINC000045420784 175379226 /nfs/dbraw/zinc/37/92/26/175379226.db2.gz OLOLUIMNGKYBQF-LLVKDONJSA-N 1 2 298.349 2.192 10 0 CEAELO C[C@@H]1C[NH+](Cc2cnc3ccccc3n2)C[C@@H](C)C1=O ZINC000661539800 415317672 /nfs/dbraw/zinc/31/76/72/415317672.db2.gz UAFYPKKXNULZAC-VXGBXAGGSA-N 1 2 269.348 2.287 10 0 CEAELO CC[NH2+][C@@](C)(Cc1ccc(OC)cc1)C(=O)OCC ZINC000071169715 176050308 /nfs/dbraw/zinc/05/03/08/176050308.db2.gz YZDIABMGROZNDT-HNNXBMFYSA-N 1 2 265.353 2.169 10 0 CEAELO NC(=O)c1ccc(Nc2ccc3c(c2)CCC[NH2+]3)nc1 ZINC000071215010 176086058 /nfs/dbraw/zinc/08/60/58/176086058.db2.gz FHMQBLKALLMRDO-UHFFFAOYSA-N 1 2 268.320 2.282 10 0 CEAELO Cn1cc[nH+]c1CNc1cccc(Cl)c1C(N)=S ZINC000071276274 176107341 /nfs/dbraw/zinc/10/73/41/176107341.db2.gz LMZBCRBVXCGLHX-UHFFFAOYSA-N 1 2 280.784 2.320 10 0 CEAELO CCn1c(C)nnc1C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000174331736 261184401 /nfs/dbraw/zinc/18/44/01/261184401.db2.gz COMGDVQQWLOEEZ-GFCCVEGCSA-N 1 2 268.430 2.180 10 0 CEAELO CCn1c(C)nnc1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000174331736 261184402 /nfs/dbraw/zinc/18/44/02/261184402.db2.gz COMGDVQQWLOEEZ-GFCCVEGCSA-N 1 2 268.430 2.180 10 0 CEAELO Cc1nnc([C@H](C)[NH2+][C@H]2CCc3c2cccc3O)[nH]1 ZINC000392427290 270340287 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CCOC(=O)[C@@](C)(C[C@H](C)n1cc(C)cn1)[NH2+]C1CC1 ZINC000068648979 521154101 /nfs/dbraw/zinc/15/41/01/521154101.db2.gz IRKDWVDWNXRZEO-SWLSCSKDSA-N 1 2 279.384 2.216 10 0 CEAELO CC(C)(C)c1[nH+]c(-c2ccc3c(c2)CCO3)c(N)n1N ZINC000052839735 519089706 /nfs/dbraw/zinc/08/97/06/519089706.db2.gz SMVCZRVTDOUCOR-UHFFFAOYSA-N 1 2 272.352 2.079 10 0 CEAELO CC(C)[NH2+][C@H](CCn1cc[nH+]c1-c1ccccc1)C(=O)[O-] ZINC000062536519 519738433 /nfs/dbraw/zinc/73/84/33/519738433.db2.gz PNXYWCWVWIDZMU-CQSZACIVSA-N 1 2 287.363 2.391 10 0 CEAELO CC(C)[NH2+][C@](C[NH+]1CCCCCC1)(C(=O)[O-])C1CC1 ZINC000069095137 519740606 /nfs/dbraw/zinc/74/06/06/519740606.db2.gz NLHBLYQHNGRAKD-HNNXBMFYSA-N 1 2 268.401 2.094 10 0 CEAELO CC(C)c1[nH+]c(-c2cc(F)c(F)c(F)c2)c(N)n1N ZINC000062707140 519858397 /nfs/dbraw/zinc/85/83/97/519858397.db2.gz NCNWIKHRZVCCOO-UHFFFAOYSA-N 1 2 270.258 2.387 10 0 CEAELO CCC[NH2+][C@@](C[N@H+]1[C@H](C)CCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069096102 520056174 /nfs/dbraw/zinc/05/61/74/520056174.db2.gz 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ZINC000049573148 521478735 /nfs/dbraw/zinc/47/87/35/521478735.db2.gz SNZIQHHOEUPETA-UHFFFAOYSA-N 1 2 265.353 2.469 10 0 CEAELO CCCN(CC(F)(F)F)c1cc[nH+]c(C(N)=S)c1 ZINC000061813157 521587438 /nfs/dbraw/zinc/58/74/38/521587438.db2.gz TYORLEOJOGOUIG-UHFFFAOYSA-N 1 2 277.315 2.495 10 0 CEAELO CCOC(=O)c1[nH+]c(CC)n(C[C@@H](C)CC)c1N ZINC000054491061 521597582 /nfs/dbraw/zinc/59/75/82/521597582.db2.gz KSCCGQAFPYKMLI-VIFPVBQESA-N 1 2 253.346 2.251 10 0 CEAELO CCC[N@H+](C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1)C(C)C ZINC000069097765 521676503 /nfs/dbraw/zinc/67/65/03/521676503.db2.gz SBAIJMPOWLPLQY-HNNXBMFYSA-N 1 2 270.417 2.338 10 0 CEAELO CCC[N@@H+](C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1)C(C)C ZINC000069097765 521676506 /nfs/dbraw/zinc/67/65/06/521676506.db2.gz SBAIJMPOWLPLQY-HNNXBMFYSA-N 1 2 270.417 2.338 10 0 CEAELO COC(=O)c1ccc(F)cc1NCc1[nH]c[nH+]c1C ZINC000054795999 522075575 /nfs/dbraw/zinc/07/55/75/522075575.db2.gz AKBDOPHHRUIWSU-UHFFFAOYSA-N 1 2 263.272 2.256 10 0 CEAELO C[NH2+][C@@H](c1nnc(CC(F)(F)F)o1)c1ccccc1 ZINC000050617973 522375962 /nfs/dbraw/zinc/37/59/62/522375962.db2.gz HVBCYMHDGNPUFU-SNVBAGLBSA-N 1 2 271.242 2.483 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)n1c(C)nc2ccccc21)C(=O)OC ZINC000068648753 522419629 /nfs/dbraw/zinc/41/96/29/522419629.db2.gz YIUJVQVLMNOAST-BZNIZROVSA-N 1 2 289.379 2.447 10 0 CEAELO C[NH2+][C@@](C[NH+]1CCC2(CCCC2)CC1)(C(=O)[O-])C1CC1 ZINC000069232574 522424970 /nfs/dbraw/zinc/42/49/70/522424970.db2.gz RQMXMJDCYOARNZ-MRXNPFEDSA-N 1 2 280.412 2.095 10 0 CEAELO C[NH2+][C@@](COC1CCCCCC1)(C(=O)OC)C1CC1 ZINC000069194522 522427431 /nfs/dbraw/zinc/42/74/31/522427431.db2.gz CIYAFDIZOMAQPI-OAHLLOKOSA-N 1 2 269.385 2.267 10 0 CEAELO CNc1cc(C)[nH+]c(Cc2ccc(OC)c(OC)c2)n1 ZINC000050848580 522563970 /nfs/dbraw/zinc/56/39/70/522563970.db2.gz LMBGZLTYFXQVSG-UHFFFAOYSA-N 1 2 273.336 2.435 10 0 CEAELO CNc1cc(CSc2nnc3ccccn32)cc[nH+]1 ZINC000061408616 522566649 /nfs/dbraw/zinc/56/66/49/522566649.db2.gz LQYYKMTYIOFWCL-UHFFFAOYSA-N 1 2 271.349 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296.411 2.459 10 0 CEAELO CC[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCO1 ZINC000184139736 523555369 /nfs/dbraw/zinc/55/53/69/523555369.db2.gz ZBUCOMBVYBEPRW-RBSFLKMASA-N 1 2 291.395 2.079 10 0 CEAELO COC(=O)[C@@H](CCn1c(C)nc2ccccc21)[NH2+]C1CC1 ZINC000062534735 523575116 /nfs/dbraw/zinc/57/51/16/523575116.db2.gz KUTODUMEFRBUEX-CQSZACIVSA-N 1 2 287.363 2.028 10 0 CEAELO COC(=O)[C@@](C)(C[C@H](C)N(C)CC(F)(F)F)[NH2+]C(C)C ZINC000068627550 523817741 /nfs/dbraw/zinc/81/77/41/523817741.db2.gz ULGZXRIAVBUDQM-CMPLNLGQSA-N 1 2 298.349 2.189 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000052098519 523895509 /nfs/dbraw/zinc/89/55/09/523895509.db2.gz LRCKRWASNTZLRT-GOEBONIOSA-N 1 2 279.380 2.071 10 0 CEAELO COC(=O)[C@H](CCN(CC(F)(F)F)C(C)C)[NH2+]C(C)C ZINC000062454940 523899061 /nfs/dbraw/zinc/89/90/61/523899061.db2.gz KXYWOCCBJGJJJC-NSHDSACASA-N 1 2 298.349 2.189 10 0 CEAELO COC(=O)[C@](C)(C[C@@H](C)N(C)CC(F)(F)F)[NH2+]C(C)C ZINC000068627538 524000037 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ZINC000023115569 361593887 /nfs/dbraw/zinc/59/38/87/361593887.db2.gz OKCYWURRDFEJTR-ZDUSSCGKSA-N 1 2 258.321 2.242 10 0 CEAELO c1csc([C@@H]2C[N@H+](CCc3ccccn3)CCO2)n1 ZINC000103479057 364659435 /nfs/dbraw/zinc/65/94/35/364659435.db2.gz CAVQHAVWEOZHBX-ZDUSSCGKSA-N 1 2 275.377 2.154 10 0 CEAELO c1csc([C@@H]2C[N@@H+](CCc3ccccn3)CCO2)n1 ZINC000103479057 364659438 /nfs/dbraw/zinc/65/94/38/364659438.db2.gz CAVQHAVWEOZHBX-ZDUSSCGKSA-N 1 2 275.377 2.154 10 0 CEAELO C[C@H]1CCCN(c2cc(NC[C@@H]3CCCO3)[nH+]cn2)C1 ZINC000110110805 364718895 /nfs/dbraw/zinc/71/88/95/364718895.db2.gz MILRWMWKKDALCV-STQMWFEESA-N 1 2 276.384 2.304 10 0 CEAELO C[C@H]1CCCN(c2cc(NC[C@@H]3CCCO3)nc[nH+]2)C1 ZINC000110110805 364718904 /nfs/dbraw/zinc/71/89/04/364718904.db2.gz MILRWMWKKDALCV-STQMWFEESA-N 1 2 276.384 2.304 10 0 CEAELO C[N@@H+]1CCO[C@@H](CNc2nc3ccccc3s2)C1 ZINC000112012868 364769385 /nfs/dbraw/zinc/76/93/85/364769385.db2.gz IGNPLSIZLTXRIB-JTQLQIEISA-N 1 2 263.366 2.039 10 0 CEAELO C[N@H+]1CCO[C@@H](CNc2nc3ccccc3s2)C1 ZINC000112012868 364769388 /nfs/dbraw/zinc/76/93/88/364769388.db2.gz IGNPLSIZLTXRIB-JTQLQIEISA-N 1 2 263.366 2.039 10 0 CEAELO CC[C@@H](CC1CCCCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000114321984 364936732 /nfs/dbraw/zinc/93/67/32/364936732.db2.gz WODDBVAOLUSOBB-HOTGVXAUSA-N 1 2 296.455 2.430 10 0 CEAELO CC[C@@H](CC1CCCCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000114321984 364936738 /nfs/dbraw/zinc/93/67/38/364936738.db2.gz WODDBVAOLUSOBB-HOTGVXAUSA-N 1 2 296.455 2.430 10 0 CEAELO C[C@@H]1C[C@@H]1NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115842601 365028794 /nfs/dbraw/zinc/02/87/94/365028794.db2.gz VCLNFGIKUCNIGF-ICCXJUOJSA-N 1 2 297.349 2.275 10 0 CEAELO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)ccc1Cl ZINC000120233978 365392842 /nfs/dbraw/zinc/39/28/42/365392842.db2.gz LQDVXLNNUKNGJP-GFCCVEGCSA-N 1 2 296.798 2.099 10 0 CEAELO CC(C)n1nnnc1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000120716288 365464343 /nfs/dbraw/zinc/46/43/43/365464343.db2.gz VXXHSYGDLWUQDO-SECBINFHSA-N 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C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172833065 367825823 /nfs/dbraw/zinc/82/58/23/367825823.db2.gz JHBZLQCGHUJIOT-UMVBOHGHSA-N 1 2 290.363 2.121 10 0 CEAELO CCCCCC[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000173338677 367899807 /nfs/dbraw/zinc/89/98/07/367899807.db2.gz RFMRGAHPTXMMDT-UONOGXRCSA-N 1 2 270.417 2.040 10 0 CEAELO CCCCCC[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000173338677 367899816 /nfs/dbraw/zinc/89/98/16/367899816.db2.gz RFMRGAHPTXMMDT-UONOGXRCSA-N 1 2 270.417 2.040 10 0 CEAELO COCCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920585 367960054 /nfs/dbraw/zinc/96/00/54/367960054.db2.gz FEMCPNXJRJDOBR-GFCCVEGCSA-N 1 2 273.336 2.086 10 0 CEAELO CCCS(=O)(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173968258 367966873 /nfs/dbraw/zinc/96/68/73/367966873.db2.gz VOIOHUSTNCQCKC-GFCCVEGCSA-N 1 2 293.392 2.263 10 0 CEAELO COC(=O)C1(N(C)Cc2[nH+]ccn2C(C)C)CCCC1 ZINC000178398329 368299859 /nfs/dbraw/zinc/29/98/59/368299859.db2.gz ROBDXYBSRBNFCR-UHFFFAOYSA-N 1 2 279.384 2.382 10 0 CEAELO C[C@H](CNC(=O)C1(C)CCCCCC1)[NH+]1CCOCC1 ZINC000180501463 368384751 /nfs/dbraw/zinc/38/47/51/368384751.db2.gz SQIVVVGVNRNSGW-CQSZACIVSA-N 1 2 282.428 2.184 10 0 CEAELO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000346418725 368669079 /nfs/dbraw/zinc/66/90/79/368669079.db2.gz RFJPVFQADQVXTL-STQMWFEESA-N 1 2 294.301 2.385 10 0 CEAELO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000346418725 368669081 /nfs/dbraw/zinc/66/90/81/368669081.db2.gz RFJPVFQADQVXTL-STQMWFEESA-N 1 2 294.301 2.385 10 0 CEAELO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccn2)CCN1CCOC ZINC000246352383 370949190 /nfs/dbraw/zinc/94/91/90/370949190.db2.gz MGPYADZNBXWQPH-HUUCEWRRSA-N 1 2 277.412 2.185 10 0 CEAELO CC[C@@H]1C[N@H+]([C@H](C)c2ccccn2)CCN1CCOC ZINC000246352383 370949196 /nfs/dbraw/zinc/94/91/96/370949196.db2.gz MGPYADZNBXWQPH-HUUCEWRRSA-N 1 2 277.412 2.185 10 0 CEAELO CC(C)(O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185586921 368827262 /nfs/dbraw/zinc/82/72/62/368827262.db2.gz 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C[C@H](NC(=O)c1ccnn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173925763 165091587 /nfs/dbraw/zinc/09/15/87/165091587.db2.gz JITLFVQXYBJEAQ-LBPRGKRZSA-N 1 2 295.346 2.097 10 0 CEAELO C[C@@H](NC(=O)c1cnccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173948278 165092189 /nfs/dbraw/zinc/09/21/89/165092189.db2.gz VJXFZTIQRVFDCV-GFCCVEGCSA-N 1 2 293.330 2.153 10 0 CEAELO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(CC)n2C)C12CCC2 ZINC000177673313 165201862 /nfs/dbraw/zinc/20/18/62/165201862.db2.gz CYEIBAAHCXIGKD-STQMWFEESA-N 1 2 292.427 2.157 10 0 CEAELO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(CC)n2C)C12CCC2 ZINC000177673313 165201866 /nfs/dbraw/zinc/20/18/66/165201866.db2.gz CYEIBAAHCXIGKD-STQMWFEESA-N 1 2 292.427 2.157 10 0 CEAELO c1csc([C@H]2C[N@H+](CCO[C@@H]3CCCCO3)CCO2)n1 ZINC000181697599 165352344 /nfs/dbraw/zinc/35/23/44/165352344.db2.gz YKMMDJQJPOTAPR-CHWSQXEVSA-N 1 2 298.408 2.060 10 0 CEAELO c1csc([C@H]2C[N@@H+](CCO[C@@H]3CCCCO3)CCO2)n1 ZINC000181697599 165352347 /nfs/dbraw/zinc/35/23/47/165352347.db2.gz 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NOZWUPUWVNUAJK-UHFFFAOYSA-N 1 2 272.142 2.202 10 0 CEAELO NC(=O)c1ccccc1-n1cc[nH+]c1-c1cccc(N)c1 ZINC000040516864 174307482 /nfs/dbraw/zinc/30/74/82/174307482.db2.gz BYPOJPRBNJLKKB-UHFFFAOYSA-N 1 2 278.315 2.220 10 0 CEAELO CNc1[nH+]cnc(Nc2cc(C)ccc2OC)c1N ZINC000040684153 174375093 /nfs/dbraw/zinc/37/50/93/174375093.db2.gz HUYOOZPKKFYCHL-UHFFFAOYSA-N 1 2 259.313 2.161 10 0 CEAELO COCCNc1nc[nH+]c(Nc2ccc(C)c(C)c2)c1N ZINC000040702913 174378770 /nfs/dbraw/zinc/37/87/70/174378770.db2.gz DEIIVWRHFDSCLA-UHFFFAOYSA-N 1 2 287.367 2.478 10 0 CEAELO COCCNc1[nH+]cnc(Nc2ccc(C)c(C)c2)c1N ZINC000040702913 174378771 /nfs/dbraw/zinc/37/87/71/174378771.db2.gz DEIIVWRHFDSCLA-UHFFFAOYSA-N 1 2 287.367 2.478 10 0 CEAELO CCc1cc(NCc2cc(N)ccc2OC)nc[nH+]1 ZINC000040765347 174397729 /nfs/dbraw/zinc/39/77/29/174397729.db2.gz VRFWWYDRQCFOHF-UHFFFAOYSA-N 1 2 258.325 2.242 10 0 CEAELO Cc1ccc(-n2cc[nH+]c2-c2ccc(N)cc2)nn1 ZINC000041074929 174472246 /nfs/dbraw/zinc/47/22/46/174472246.db2.gz ZSBFBJSCRCBENZ-UHFFFAOYSA-N 1 2 251.293 2.220 10 0 CEAELO COC(=O)C(C)(C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747234 175242839 /nfs/dbraw/zinc/24/28/39/175242839.db2.gz MXAWTZXUWLGXJY-CYBMUJFWSA-N 1 2 263.337 2.311 10 0 CEAELO Cn1cc[nH+]c1CCN1C(=S)N=NC1c1ccccc1 ZINC000045135860 175313498 /nfs/dbraw/zinc/31/34/98/175313498.db2.gz FMAASVBAEVNFNM-UHFFFAOYSA-N 1 2 285.376 2.210 10 0 CEAELO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2nncn2C)c1C ZINC000045170560 175320567 /nfs/dbraw/zinc/32/05/67/175320567.db2.gz VRNZKCWANSKIJE-KOLCDFICSA-N 1 2 276.388 2.060 10 0 CEAELO CCN(C[C@](C)([NH2+]C(C)C)C(=O)OC)c1ccccc1 ZINC000045232086 175335403 /nfs/dbraw/zinc/33/54/03/175335403.db2.gz KKZWPNQRWUTAMZ-INIZCTEOSA-N 1 2 278.396 2.443 10 0 CEAELO CCC[NH2+][C@@](C)(C[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231701 175335927 /nfs/dbraw/zinc/33/59/27/175335927.db2.gz UAVRNATUWVWFOL-OBJOEFQTSA-N 1 2 256.390 2.092 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045278975 175349009 /nfs/dbraw/zinc/34/90/09/175349009.db2.gz CHNZSOIFFWQYLW-GUTXKFCHSA-N 1 2 270.417 2.338 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045278975 175349011 /nfs/dbraw/zinc/34/90/11/175349011.db2.gz CHNZSOIFFWQYLW-GUTXKFCHSA-N 1 2 270.417 2.338 10 0 CEAELO Cc1nc(Nc2cccc(Br)c2)nc(N)[nH+]1 ZINC000045319487 175359064 /nfs/dbraw/zinc/35/90/64/175359064.db2.gz BGUXIMMMEXKGNF-UHFFFAOYSA-N 1 2 280.129 2.268 10 0 CEAELO c1ccc2c(c1)C[NH2+][C@H](c1nc3cc[nH]cc-3n1)C2 ZINC000071166644 176048797 /nfs/dbraw/zinc/04/87/97/176048797.db2.gz XCARGMCGLNUJMM-ZDUSSCGKSA-N 1 2 250.305 2.345 10 0 CEAELO c1ccc2c(c1)CC[NH2+][C@@H]2c1nc2cc[nH]cc-2n1 ZINC000071166718 176049091 /nfs/dbraw/zinc/04/90/91/176049091.db2.gz XGZRGTVEDTZKPU-AWEZNQCLSA-N 1 2 250.305 2.193 10 0 CEAELO COC(=O)[C@](C)(COc1cc(F)ccc1F)[NH2+]C(C)C ZINC000071168480 176049798 /nfs/dbraw/zinc/04/97/98/176049798.db2.gz HBJAZKSYZWOENN-AWEZNQCLSA-N 1 2 287.306 2.273 10 0 CEAELO Cn1cc[nH+]c1CNc1nc2ccc(N)cc2s1 ZINC000071275436 176106975 /nfs/dbraw/zinc/10/69/75/176106975.db2.gz DJHMEMQYLXQKGQ-UHFFFAOYSA-N 1 2 259.338 2.224 10 0 CEAELO Cc1ccn2cc(CC(=O)Nc3cccnc3)[nH+]c2c1 ZINC000071529748 176194588 /nfs/dbraw/zinc/19/45/88/176194588.db2.gz FMJMAKFWMRXZEK-UHFFFAOYSA-N 1 2 266.304 2.219 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1ccc2c(c1)CCCC2 ZINC000078723192 177375856 /nfs/dbraw/zinc/37/58/56/177375856.db2.gz SUMDHTNYWUGWTI-UHFFFAOYSA-N 1 2 269.348 2.261 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1ccc2c(c1)CCCC2 ZINC000078723192 177375858 /nfs/dbraw/zinc/37/58/58/177375858.db2.gz SUMDHTNYWUGWTI-UHFFFAOYSA-N 1 2 269.348 2.261 10 0 CEAELO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1cccc(Cl)c1 ZINC000074902161 419412381 /nfs/dbraw/zinc/41/23/81/419412381.db2.gz DUWPQHMXLRJDFH-ZDUSSCGKSA-N 1 2 297.786 2.134 10 0 CEAELO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1cccc(Cl)c1 ZINC000074902161 419412386 /nfs/dbraw/zinc/41/23/86/419412386.db2.gz DUWPQHMXLRJDFH-ZDUSSCGKSA-N 1 2 297.786 2.134 10 0 CEAELO COC(=O)[C@]1([NH2+]CC2CC2)CCCc2cc(OC)ccc21 ZINC000037967597 260122415 /nfs/dbraw/zinc/12/24/15/260122415.db2.gz HFQCELONKPYMBO-KRWDZBQOSA-N 1 2 289.375 2.399 10 0 CEAELO CC(C)(O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187241200 277316796 /nfs/dbraw/zinc/31/67/96/277316796.db2.gz XELUMTJYDJFIQH-CYBMUJFWSA-N 1 2 271.307 2.109 10 0 CEAELO CC(C)(O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187241200 277316801 /nfs/dbraw/zinc/31/68/01/277316801.db2.gz XELUMTJYDJFIQH-CYBMUJFWSA-N 1 2 271.307 2.109 10 0 CEAELO Cc1nc(N[C@@H]2CCCn3ncnc32)c2c([nH+]1)CCCC2 ZINC000272894427 279112718 /nfs/dbraw/zinc/11/27/18/279112718.db2.gz OJHMTJBVEYUOGU-CYBMUJFWSA-N 1 2 284.367 2.202 10 0 CEAELO CCn1cc[nH+]c1CN(CCC(N)=O)c1cccc(C)c1 ZINC000076747144 279677768 /nfs/dbraw/zinc/67/77/68/279677768.db2.gz KMAZZWTZTQYZAR-UHFFFAOYSA-N 1 2 286.379 2.093 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000077367348 288379299 /nfs/dbraw/zinc/37/92/99/288379299.db2.gz LSFBHUKTSFOBQJ-OKILXGFUSA-N 1 2 271.364 2.482 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000077367348 288379300 /nfs/dbraw/zinc/37/93/00/288379300.db2.gz LSFBHUKTSFOBQJ-OKILXGFUSA-N 1 2 271.364 2.482 10 0 CEAELO CC(C)[NH2+][C@](C[NH+]1CCC(C)(C)CC1)(C(=O)[O-])C1CC1 ZINC000069232044 519740783 /nfs/dbraw/zinc/74/07/83/519740783.db2.gz JJRHKWCDDDUTEJ-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[NH2+][C@@H](CCN(CC)CC(F)(F)F)C(=O)OCC ZINC000062455062 519995876 /nfs/dbraw/zinc/99/58/76/519995876.db2.gz VUXBMTSGYQPWMW-NSHDSACASA-N 1 2 298.349 2.192 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc(CC)cc1)C(=O)OC ZINC000062548583 520092431 /nfs/dbraw/zinc/09/24/31/520092431.db2.gz DYUPVSYPFROHGI-AWEZNQCLSA-N 1 2 265.353 2.169 10 0 CEAELO CCC[NH2+][C@](CSC(C)C)(C(=O)OC)C1CC1 ZINC000069188516 520125668 /nfs/dbraw/zinc/12/56/68/520125668.db2.gz UCJNBRDVIQKSGE-ZDUSSCGKSA-N 1 2 259.415 2.449 10 0 CEAELO CCCOc1cccc(-c2[nH+]c(CC)n(N)c2N)c1 ZINC000052921498 520438370 /nfs/dbraw/zinc/43/83/70/520438370.db2.gz AIBBNMBBHCXRFS-UHFFFAOYSA-N 1 2 260.341 2.197 10 0 CEAELO CCOC(=O)[C@@H](CCOC1CCCC1)[NH2+]C(C)C ZINC000062546119 521059636 /nfs/dbraw/zinc/05/96/36/521059636.db2.gz LUUXTZAISWSRRB-CYBMUJFWSA-N 1 2 257.374 2.265 10 0 CEAELO C[NH2+][C@@H](CCOc1c(C)ccc(C)c1C)C(=O)OC ZINC000062594454 522346395 /nfs/dbraw/zinc/34/63/95/522346395.db2.gz LKTXOXCUTOHBPB-ZDUSSCGKSA-N 1 2 265.353 2.142 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)Oc1ccc(F)c(F)c1)C(=O)OC ZINC000068657788 522415941 /nfs/dbraw/zinc/41/59/41/522415941.db2.gz FHJPUFBFBYKESM-OTYXRUKQSA-N 1 2 287.306 2.273 10 0 CEAELO CC(=O)Nc1cc(NCc2c[nH+]c(C)[nH]2)ccc1F ZINC000054822294 519707112 /nfs/dbraw/zinc/70/71/12/519707112.db2.gz SZEOFTLYITVMIA-UHFFFAOYSA-N 1 2 262.288 2.428 10 0 CEAELO CC(=O)Nc1cc(NCc2c[nH]c(C)[nH+]2)ccc1F ZINC000054822294 519707113 /nfs/dbraw/zinc/70/71/13/519707113.db2.gz SZEOFTLYITVMIA-UHFFFAOYSA-N 1 2 262.288 2.428 10 0 CEAELO CC(C)c1[nH+]c(-c2ccc(F)c(F)c2)c(N)n1N ZINC000052839983 519858153 /nfs/dbraw/zinc/85/81/53/519858153.db2.gz QTENFLXKIVGRPZ-UHFFFAOYSA-N 1 2 252.268 2.248 10 0 CEAELO CCC[NH+]1CCN(c2c(F)cc(C=O)cc2F)CC1 ZINC000062707046 519860243 /nfs/dbraw/zinc/86/02/43/519860243.db2.gz XDKHITBVZFAYHB-UHFFFAOYSA-N 1 2 268.307 2.309 10 0 CEAELO CCC[NH2+][C@H](Cn1nc(C)c(Cl)c1C)C(=O)OCC ZINC000050588187 520088101 /nfs/dbraw/zinc/08/81/01/520088101.db2.gz KOYSUROZPUFDSH-LLVKDONJSA-N 1 2 287.791 2.085 10 0 CEAELO CCC[NH2+][C@](COC(C)C)(C(=O)OCC)C1CC1 ZINC000069196338 520121646 /nfs/dbraw/zinc/12/16/46/520121646.db2.gz WIIPDBFEEQUTMM-AWEZNQCLSA-N 1 2 257.374 2.123 10 0 CEAELO CCC[NH2+][C@](COC1CCCC1)(C(=O)OC)C1CC1 ZINC000069196776 520121657 /nfs/dbraw/zinc/12/16/57/520121657.db2.gz WUFIUPZQVWZMPY-HNNXBMFYSA-N 1 2 269.385 2.267 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)Oc1ccc(OC)cc1)C(=O)OC ZINC000068656815 520141617 /nfs/dbraw/zinc/14/16/17/520141617.db2.gz DZPOVAGBVWVACB-WBMJQRKESA-N 1 2 295.379 2.394 10 0 CEAELO CC[NH2+][C@@](C)(Cn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062808009 520147669 /nfs/dbraw/zinc/14/76/69/520147669.db2.gz RRUWIRGVQJDFHR-HNNXBMFYSA-N 1 2 275.352 2.052 10 0 CEAELO CCCNc1ncccc1C[N@H+](CC)CC(=O)NC(C)C ZINC000052728089 520194246 /nfs/dbraw/zinc/19/42/46/520194246.db2.gz ICONBBXVZGLMMK-UHFFFAOYSA-N 1 2 292.427 2.250 10 0 CEAELO CCCNc1ncccc1C[N@@H+](CC)CC(=O)NC(C)C ZINC000052728089 520194254 /nfs/dbraw/zinc/19/42/54/520194254.db2.gz ICONBBXVZGLMMK-UHFFFAOYSA-N 1 2 292.427 2.250 10 0 CEAELO CC[NH2+][C@](C[N@H+](C)[C@@H]1CCCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069132391 520245025 /nfs/dbraw/zinc/24/50/25/520245025.db2.gz ZCGCEEULZRWWHM-BJJXKVORSA-N 1 2 282.428 2.340 10 0 CEAELO CC[NH2+][C@](C[N@@H+](C)[C@@H]1CCCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069132391 520245030 /nfs/dbraw/zinc/24/50/30/520245030.db2.gz ZCGCEEULZRWWHM-BJJXKVORSA-N 1 2 282.428 2.340 10 0 CEAELO CCNc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OCC)cn1 ZINC000050814871 520302284 /nfs/dbraw/zinc/30/22/84/520302284.db2.gz PZMKIVAGYHUUES-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CCNc1ccc(C[N@H+]2CCC[C@H]2C(=O)OCC)cn1 ZINC000050814871 520302292 /nfs/dbraw/zinc/30/22/92/520302292.db2.gz PZMKIVAGYHUUES-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CCOC(=O)[C@@H](CCSc1ccc(OC)cc1)[NH2+]C ZINC000062599122 521062677 /nfs/dbraw/zinc/06/26/77/521062677.db2.gz PHQIILHOZBYLHM-CYBMUJFWSA-N 1 2 283.393 2.329 10 0 CEAELO CCOC(=O)[C@@](COC1CCC1)([NH2+]C1CC1)C1CC1 ZINC000069198348 521166582 /nfs/dbraw/zinc/16/65/82/521166582.db2.gz UISHFBOJSRFXHG-HNNXBMFYSA-N 1 2 267.369 2.019 10 0 CEAELO CC[N@H+](C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CCCC1 ZINC000069099223 521235730 /nfs/dbraw/zinc/23/57/30/521235730.db2.gz OOQKLMSIITYQEU-INIZCTEOSA-N 1 2 280.412 2.236 10 0 CEAELO CC[N@@H+](C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CCCC1 ZINC000069099223 521235734 /nfs/dbraw/zinc/23/57/34/521235734.db2.gz OOQKLMSIITYQEU-INIZCTEOSA-N 1 2 280.412 2.236 10 0 CEAELO CCCC[C@](CC)([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000069381774 521255054 /nfs/dbraw/zinc/25/50/54/521255054.db2.gz ZEJPZHNIBDWVRA-JSGCOSHPSA-N 1 2 257.374 2.267 10 0 CEAELO CCOC(=O)[C@](COc1cc(F)cc(F)c1)([NH2+]C)C1CC1 ZINC000069198592 521341886 /nfs/dbraw/zinc/34/18/86/521341886.db2.gz SDZWDWYYADMNKV-OAHLLOKOSA-N 1 2 299.317 2.275 10 0 CEAELO CCC(CC)(c1noc([C@H]([NH3+])CO)n1)c1ccccc1 ZINC000062783242 521479140 /nfs/dbraw/zinc/47/91/40/521479140.db2.gz MXNZTIARYPQGGZ-GFCCVEGCSA-N 1 2 275.352 2.168 10 0 CEAELO CCC[N@H+](CC(=O)N(C)C)Cc1nc(NC)ccc1Cl ZINC000061639025 521530098 /nfs/dbraw/zinc/53/00/98/521530098.db2.gz BTHJIEKEBMDYEH-UHFFFAOYSA-N 1 2 298.818 2.077 10 0 CEAELO CCC[N@@H+](CC(=O)N(C)C)Cc1nc(NC)ccc1Cl ZINC000061639025 521530102 /nfs/dbraw/zinc/53/01/02/521530102.db2.gz BTHJIEKEBMDYEH-UHFFFAOYSA-N 1 2 298.818 2.077 10 0 CEAELO C[NH2+][C@H](c1nnc([C@@H]2CCCO2)o1)c1ccccc1 ZINC000050618040 522487735 /nfs/dbraw/zinc/48/77/35/522487735.db2.gz RJJVSWULTGLMKR-RYUDHWBXSA-N 1 2 259.309 2.230 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)Oc1ccc(F)c(F)c1)C(=O)OC ZINC000068657790 522524138 /nfs/dbraw/zinc/52/41/38/522524138.db2.gz 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CC[C@@H]([NH3+])c1nc2cncc(Br)c2[nH]1 ZINC000307160620 344720345 /nfs/dbraw/zinc/72/03/45/344720345.db2.gz DVSNZJYUYMDONI-ZCFIWIBFSA-N 1 2 255.119 2.130 10 0 CEAELO Cc1ccc(CC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000328625057 344756373 /nfs/dbraw/zinc/75/63/73/344756373.db2.gz KJBQTCISVBBKEJ-INIZCTEOSA-N 1 2 297.402 2.455 10 0 CEAELO CC(C)n1cc(C(=O)[O-])[nH+]c1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584880912 344996323 /nfs/dbraw/zinc/99/63/23/344996323.db2.gz AVPKALMYNDVEGC-FGWVZKOKSA-N 1 2 263.341 2.160 10 0 CEAELO Cn1c2ccccc2[nH+]c1C[C@@H](CCc1ccco1)NN ZINC000097760130 185663088 /nfs/dbraw/zinc/66/30/88/185663088.db2.gz KHNRQDLWTLMWAC-GFCCVEGCSA-N 1 2 284.363 2.174 10 0 CEAELO CNc1nc(CCCOC)[nH+]c(C)c1Br ZINC000085459227 179068643 /nfs/dbraw/zinc/06/86/43/179068643.db2.gz ZNWHMZGPMDUFQY-UHFFFAOYSA-N 1 2 274.162 2.168 10 0 CEAELO CC[NH2+][C@@](C)(CCOc1cc(C)ccc1F)C(=O)OC ZINC000085559968 179094007 /nfs/dbraw/zinc/09/40/07/179094007.db2.gz UBGUWDOPLYKJJB-HNNXBMFYSA-N 1 2 283.343 2.444 10 0 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CCc1cc(N[C@H](C)Cc2cc(C)n[nH]2)nc(C)[nH+]1 ZINC000272918727 373711483 /nfs/dbraw/zinc/71/14/83/373711483.db2.gz SUCBDVDBEVVELE-SECBINFHSA-N 1 2 259.357 2.422 10 0 CEAELO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)s2)cn1 ZINC000274163878 373831142 /nfs/dbraw/zinc/83/11/42/373831142.db2.gz GYHYCEDINJFDCK-BDAKNGLRSA-N 1 2 265.386 2.475 10 0 CEAELO COCc1noc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000180235595 542261778 /nfs/dbraw/zinc/26/17/78/542261778.db2.gz UBGFCJXGIUUYLM-QMMMGPOBSA-N 1 2 283.278 2.345 10 0 CEAELO Cc1nc(Cl)cc(N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000267400082 190327050 /nfs/dbraw/zinc/32/70/50/190327050.db2.gz PGIALRWTJWBBPA-LLVKDONJSA-N 1 2 277.759 2.304 10 0 CEAELO COCCc1noc(C[NH2+][C@H](C)c2cccs2)n1 ZINC000182559708 542282750 /nfs/dbraw/zinc/28/27/50/542282750.db2.gz CRLMHCXCMCQSEE-SECBINFHSA-N 1 2 267.354 2.171 10 0 CEAELO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cnccn1 ZINC000187117775 533141940 /nfs/dbraw/zinc/14/19/40/533141940.db2.gz BOOLTKCCJRIIDL-GHMZBOCLSA-N 1 2 258.325 2.292 10 0 CEAELO C[C@@H](c1nccs1)n1c(CO)[nH+]c2cc(N)ccc21 ZINC000080330924 177642219 /nfs/dbraw/zinc/64/22/19/177642219.db2.gz CCGTZOBSXPQGLU-QMMMGPOBSA-N 1 2 274.349 2.177 10 0 CEAELO Nc1ccc(NC(=O)Cc2ccc(F)c(F)c2)c[nH+]1 ZINC000095045648 184923526 /nfs/dbraw/zinc/92/35/26/184923526.db2.gz CLRKAHUQFITYAZ-UHFFFAOYSA-N 1 2 263.247 2.123 10 0 CEAELO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[C@H]1C ZINC000190568146 130120877 /nfs/dbraw/zinc/12/08/77/130120877.db2.gz NTTKIFGYXDOVNF-OLZOCXBDSA-N 1 2 278.400 2.276 10 0 CEAELO OCc1ccc(N2CCC[C@H](C(F)(F)F)C2)[nH+]c1 ZINC000088433107 135054687 /nfs/dbraw/zinc/05/46/87/135054687.db2.gz BRSLZFZHFBENBL-JTQLQIEISA-N 1 2 260.259 2.353 10 0 CEAELO NC(=O)c1cc(N)ccc1[NH+]1CCC(C(F)(F)F)CC1 ZINC000088437340 135054787 /nfs/dbraw/zinc/05/47/87/135054787.db2.gz HEIPLNMGSAITGR-UHFFFAOYSA-N 1 2 287.285 2.146 10 0 CEAELO CCn1c[nH+]cc1CN1CCCc2c(N)cccc21 ZINC000090235828 135062398 /nfs/dbraw/zinc/06/23/98/135062398.db2.gz NVGKFUZBVUGSIJ-UHFFFAOYSA-N 1 2 256.353 2.438 10 0 CEAELO [NH3+][C@H](c1ccsn1)c1ccc(Br)cn1 ZINC000306206139 394514676 /nfs/dbraw/zinc/51/46/76/394514676.db2.gz POQPGJOVXYHWLF-VIFPVBQESA-N 1 2 270.155 2.349 10 0 CEAELO O=C(N[C@H](C1CCC1)C1CCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000648200916 395862275 /nfs/dbraw/zinc/86/22/75/395862275.db2.gz VSPWAIHNNJURSY-OLZOCXBDSA-N 1 2 286.366 2.459 10 0 CEAELO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)nc2)cn1 ZINC000189328865 153090362 /nfs/dbraw/zinc/09/03/62/153090362.db2.gz FAVAETIZPKKUFB-CYBMUJFWSA-N 1 2 260.316 2.291 10 0 CEAELO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(F)nc2)cn1 ZINC000189328865 153090365 /nfs/dbraw/zinc/09/03/65/153090365.db2.gz FAVAETIZPKKUFB-CYBMUJFWSA-N 1 2 260.316 2.291 10 0 CEAELO COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000191918259 153198891 /nfs/dbraw/zinc/19/88/91/153198891.db2.gz JIPRYCMJPTUBGP-CQSZACIVSA-N 1 2 296.798 2.401 10 0 CEAELO COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000191918259 153198894 /nfs/dbraw/zinc/19/88/94/153198894.db2.gz JIPRYCMJPTUBGP-CQSZACIVSA-N 1 2 296.798 2.401 10 0 CEAELO CCn1ncnc1C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000193324702 153232252 /nfs/dbraw/zinc/23/22/52/153232252.db2.gz RUGVAVYNOOZGOX-GFCCVEGCSA-N 1 2 291.424 2.443 10 0 CEAELO CCn1ncnc1C[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000193324702 153232254 /nfs/dbraw/zinc/23/22/54/153232254.db2.gz RUGVAVYNOOZGOX-GFCCVEGCSA-N 1 2 291.424 2.443 10 0 CEAELO Cn1nccc1C1CC[NH+](Cc2ncc(Cl)n2C)CC1 ZINC000195502890 153292009 /nfs/dbraw/zinc/29/20/09/153292009.db2.gz JQESAUQFMNUUFA-UHFFFAOYSA-N 1 2 293.802 2.187 10 0 CEAELO CCn1ccnc1C[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195518395 153293456 /nfs/dbraw/zinc/29/34/56/153293456.db2.gz PYWFDWGJYLJWIZ-CYBMUJFWSA-N 1 2 289.383 2.049 10 0 CEAELO CCn1ccnc1C[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195518395 153293460 /nfs/dbraw/zinc/29/34/60/153293460.db2.gz PYWFDWGJYLJWIZ-CYBMUJFWSA-N 1 2 289.383 2.049 10 0 CEAELO Cc1c(CNc2[nH]c3cc(F)ccc3[nH+]2)cnn1C ZINC000225820085 153326085 /nfs/dbraw/zinc/32/60/85/153326085.db2.gz QBOUEAHTIMBXMQ-UHFFFAOYSA-N 1 2 259.288 2.356 10 0 CEAELO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263085628 154015176 /nfs/dbraw/zinc/01/51/76/154015176.db2.gz XWDJXXVOUZZJLW-PWSUYJOCSA-N 1 2 298.333 2.178 10 0 CEAELO CC1(C)Cc2cc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)ccc2O1 ZINC000263127958 154020627 /nfs/dbraw/zinc/02/06/27/154020627.db2.gz BJTHLMDVMXJZOX-LLVKDONJSA-N 1 2 296.317 2.336 10 0 CEAELO O=C(N[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263299887 154050453 /nfs/dbraw/zinc/05/04/53/154050453.db2.gz WXPALBZXEVFGBG-QJPTWQEYSA-N 1 2 272.339 2.069 10 0 CEAELO Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262737751 292320233 /nfs/dbraw/zinc/32/02/33/292320233.db2.gz CHMFEGXNIFSYCU-OLZOCXBDSA-N 1 2 280.318 2.096 10 0 CEAELO C[C@@H]1C[C@@H](O)C[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000401892392 533677220 /nfs/dbraw/zinc/67/72/20/533677220.db2.gz HVUMSWIOXKWBDG-NXEZZACHSA-N 1 2 279.365 2.001 10 0 CEAELO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000401892392 533677223 /nfs/dbraw/zinc/67/72/23/533677223.db2.gz HVUMSWIOXKWBDG-NXEZZACHSA-N 1 2 279.365 2.001 10 0 CEAELO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(C3CC3)n2C)C1(C)C ZINC000172666146 165062400 /nfs/dbraw/zinc/06/24/00/165062400.db2.gz NMQKRWNXHQFQHQ-QWHCGFSZSA-N 1 2 292.427 2.328 10 0 CEAELO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(C3CC3)n2C)C1(C)C ZINC000172666146 165062405 /nfs/dbraw/zinc/06/24/05/165062405.db2.gz NMQKRWNXHQFQHQ-QWHCGFSZSA-N 1 2 292.427 2.328 10 0 CEAELO CCc1nnc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)[nH]1 ZINC000173686191 165078443 /nfs/dbraw/zinc/07/84/43/165078443.db2.gz LHPLEGNDKGFSMK-CQSZACIVSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1nnc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)[nH]1 ZINC000173686191 165078450 /nfs/dbraw/zinc/07/84/50/165078450.db2.gz LHPLEGNDKGFSMK-CQSZACIVSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)n[nH]1 ZINC000173686191 165078453 /nfs/dbraw/zinc/07/84/53/165078453.db2.gz LHPLEGNDKGFSMK-CQSZACIVSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)n[nH]1 ZINC000173686191 165078460 /nfs/dbraw/zinc/07/84/60/165078460.db2.gz LHPLEGNDKGFSMK-CQSZACIVSA-N 1 2 286.379 2.249 10 0 CEAELO C[C@]1([NH2+]Cc2c(F)cccc2Cl)CCS(=O)(=O)C1 ZINC000035223105 172067566 /nfs/dbraw/zinc/06/75/66/172067566.db2.gz UOQVUEOLWRMRDV-LBPRGKRZSA-N 1 2 291.775 2.146 10 0 CEAELO C[C@H](Nc1[nH+]cccc1C(N)=S)c1ccccn1 ZINC000035695229 172363931 /nfs/dbraw/zinc/36/39/31/172363931.db2.gz POCIVHVKFAYSJZ-VIFPVBQESA-N 1 2 258.350 2.284 10 0 CEAELO COC(=O)C[C@@H](C)n1c[nH+]c2cc(F)c(F)cc21 ZINC000035741308 172394934 /nfs/dbraw/zinc/39/49/34/172394934.db2.gz WGOIBLBZIQARCY-SSDOTTSWSA-N 1 2 254.236 2.439 10 0 CEAELO Cn1cc[nH+]c1[C@H](NCC(F)(F)F)c1ccco1 ZINC000037184457 173016620 /nfs/dbraw/zinc/01/66/20/173016620.db2.gz QODWFZWCONLVSX-SECBINFHSA-N 1 2 259.231 2.254 10 0 CEAELO CC[NH2+][C@@](C)(CCc1ccc(O)cc1)C(=O)OCC ZINC000037447201 173215255 /nfs/dbraw/zinc/21/52/55/173215255.db2.gz SMLWAQOUEFHMIS-HNNXBMFYSA-N 1 2 265.353 2.256 10 0 CEAELO CCC[NH2+][C@@](CC)(C(=O)OC)c1ccc(OC)cc1 ZINC000037459200 173224451 /nfs/dbraw/zinc/22/44/51/173224451.db2.gz RTTSYFPYLVZSRG-OAHLLOKOSA-N 1 2 265.353 2.473 10 0 CEAELO CCOC(=O)[C@H]([NH2+]CC(C)C)c1ccc(O)cc1 ZINC000037966284 173911760 /nfs/dbraw/zinc/91/17/60/173911760.db2.gz NRIUXUZQWGDYAJ-CYBMUJFWSA-N 1 2 251.326 2.242 10 0 CEAELO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1N ZINC000040637938 174362585 /nfs/dbraw/zinc/36/25/85/174362585.db2.gz OTCITULLBCIHLN-AWEZNQCLSA-N 1 2 286.379 2.310 10 0 CEAELO COc1ccc(C)cc1Nc1nc[nH+]c(N(C)C)c1N ZINC000040684172 174375377 /nfs/dbraw/zinc/37/53/77/174375377.db2.gz NUQWANNLCNBGJO-UHFFFAOYSA-N 1 2 273.340 2.185 10 0 CEAELO CCNc1nc[nH+]c(Nc2ccc(OC)cc2)c1N ZINC000040707387 174379320 /nfs/dbraw/zinc/37/93/20/174379320.db2.gz MVWACZMTMGUBQR-UHFFFAOYSA-N 1 2 259.313 2.243 10 0 CEAELO CCNc1[nH+]cnc(Nc2ccc(OC)cc2)c1N ZINC000040707387 174379321 /nfs/dbraw/zinc/37/93/21/174379321.db2.gz MVWACZMTMGUBQR-UHFFFAOYSA-N 1 2 259.313 2.243 10 0 CEAELO CNc1[nH+]cnc(Nc2ccc(F)c(F)c2)c1N ZINC000040707126 174379775 /nfs/dbraw/zinc/37/97/75/174379775.db2.gz BJFKSBJLZNNVJC-UHFFFAOYSA-N 1 2 251.240 2.122 10 0 CEAELO CNc1nc[nH+]c(Nc2ccc(F)c(F)c2)c1N ZINC000040707126 174379776 /nfs/dbraw/zinc/37/97/76/174379776.db2.gz BJFKSBJLZNNVJC-UHFFFAOYSA-N 1 2 251.240 2.122 10 0 CEAELO CCN(CC)c1[nH+]cnc(NCc2ccco2)c1N ZINC000040723209 174385439 /nfs/dbraw/zinc/38/54/39/174385439.db2.gz WTVZFJSOGXBUEL-UHFFFAOYSA-N 1 2 261.329 2.110 10 0 CEAELO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccccc2F)o1 ZINC000230643600 414847013 /nfs/dbraw/zinc/84/70/13/414847013.db2.gz PQNBCRDGHKMQJM-JTQLQIEISA-N 1 2 277.299 2.411 10 0 CEAELO COC(=O)[C@@](C)(CCN1CCc2ccccc21)[NH2+]C(C)C ZINC000045224354 175331831 /nfs/dbraw/zinc/33/18/31/175331831.db2.gz YPKKDBMSLABBRJ-QGZVFWFLSA-N 1 2 290.407 2.369 10 0 CEAELO CCOC(=O)[C@@](C)(CN(C)c1ccccc1)[NH2+]C(C)C ZINC000045227615 175333285 /nfs/dbraw/zinc/33/32/85/175333285.db2.gz JQRXEUWKQCEQIP-MRXNPFEDSA-N 1 2 278.396 2.443 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272041 175343231 /nfs/dbraw/zinc/34/32/31/175343231.db2.gz XMMPBOUQSMITJJ-LZWOXQAQSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272041 175343232 /nfs/dbraw/zinc/34/32/32/175343232.db2.gz XMMPBOUQSMITJJ-LZWOXQAQSA-N 1 2 282.428 2.341 10 0 CEAELO COC(=O)[C@](C)(CN(CC(F)(F)F)C(C)C)[NH2+]C(C)C ZINC000045273933 175344262 /nfs/dbraw/zinc/34/42/62/175344262.db2.gz IFIWCMJPKYGMMV-LBPRGKRZSA-N 1 2 298.349 2.189 10 0 CEAELO C[C@@](C[N@@H+]1CCC[C@@H]1C1CCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045277349 175347300 /nfs/dbraw/zinc/34/73/00/175347300.db2.gz JAJAUQORPMKODK-ZBFHGGJFSA-N 1 2 280.412 2.236 10 0 CEAELO C[C@@](C[N@H+]1CCC[C@@H]1C1CCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045277349 175347301 /nfs/dbraw/zinc/34/73/01/175347301.db2.gz JAJAUQORPMKODK-ZBFHGGJFSA-N 1 2 280.412 2.236 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280506 175349805 /nfs/dbraw/zinc/34/98/05/175349805.db2.gz KGVRFPJNQJWHQC-PIMMBPRGSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280506 175349807 /nfs/dbraw/zinc/34/98/07/175349807.db2.gz KGVRFPJNQJWHQC-PIMMBPRGSA-N 1 2 270.417 2.340 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280509 175349921 /nfs/dbraw/zinc/34/99/21/175349921.db2.gz QPDMQWYTAXADSF-PIMMBPRGSA-N 1 2 270.417 2.338 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280509 175349922 /nfs/dbraw/zinc/34/99/22/175349922.db2.gz QPDMQWYTAXADSF-PIMMBPRGSA-N 1 2 270.417 2.338 10 0 CEAELO CCC[NH2+][C@H](CN1c2ccccc2C[C@@H]1C)C(=O)OCC ZINC000045368922 175363602 /nfs/dbraw/zinc/36/36/02/175363602.db2.gz NVCZFWUBUZATRP-DZGCQCFKSA-N 1 2 290.407 2.369 10 0 CEAELO CCN(C[C@H]([NH2+]C(C)C)C(=O)OC)c1ccccc1 ZINC000045379841 175369208 /nfs/dbraw/zinc/36/92/08/175369208.db2.gz WUPFIGAHDREEPH-AWEZNQCLSA-N 1 2 264.369 2.053 10 0 CEAELO CC[NH2+][C@@H](CN(CC)c1cccc(C)c1)C(=O)OCC ZINC000045420013 175377887 /nfs/dbraw/zinc/37/78/87/175377887.db2.gz ATWBGTKNEAEZSX-HNNXBMFYSA-N 1 2 278.396 2.363 10 0 CEAELO CC[NH2+][C@](C)(Cc1ccc(OC)cc1)C(=O)OCC ZINC000071169716 176050446 /nfs/dbraw/zinc/05/04/46/176050446.db2.gz YZDIABMGROZNDT-OAHLLOKOSA-N 1 2 265.353 2.169 10 0 CEAELO COc1ccccc1-c1cc(N)nc(NC2CC2)[nH+]1 ZINC000071298130 176112459 /nfs/dbraw/zinc/11/24/59/176112459.db2.gz AIUKWNKCAHGGLL-UHFFFAOYSA-N 1 2 256.309 2.309 10 0 CEAELO Cn1cc[nH+]c1CNc1nc2ccccc2cc1C(N)=S ZINC000071386970 176147792 /nfs/dbraw/zinc/14/77/92/176147792.db2.gz XVANTSUJHIHPCE-UHFFFAOYSA-N 1 2 297.387 2.215 10 0 CEAELO O=C(Cc1cccs1)NCc1cn2cc(F)ccc2[nH+]1 ZINC000071446292 176175633 /nfs/dbraw/zinc/17/56/33/176175633.db2.gz UUKXBDFYQPZCMI-UHFFFAOYSA-N 1 2 289.335 2.394 10 0 CEAELO CC(=O)NCCc1cn2cc(C(F)(F)F)ccc2[nH+]1 ZINC000071491359 176190696 /nfs/dbraw/zinc/19/06/96/176190696.db2.gz LCZWSQXTIIAAAW-UHFFFAOYSA-N 1 2 271.242 2.032 10 0 CEAELO C[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 ZINC000074671882 176597209 /nfs/dbraw/zinc/59/72/09/176597209.db2.gz VCHHLEVZHGBGJN-UHFFFAOYSA-N 1 2 281.359 2.136 10 0 CEAELO Cc1cc(NC(=O)c2ccc3c(c2)CC(=O)N3)cc[nH+]1 ZINC000074731935 176605937 /nfs/dbraw/zinc/60/59/37/176605937.db2.gz MZSSOLWOFRDUJW-UHFFFAOYSA-N 1 2 267.288 2.137 10 0 CEAELO Cn1c2ccc(C(F)(F)F)cc2nc1[C@@H]1COCC[NH2+]1 ZINC000076136911 176932196 /nfs/dbraw/zinc/93/21/96/176932196.db2.gz WAROBYUBMKXLJQ-JTQLQIEISA-N 1 2 285.269 2.253 10 0 CEAELO COC(=O)c1cccc(C[N@H+]2[C@H](C)COC[C@@H]2C)c1 ZINC000077371041 177259678 /nfs/dbraw/zinc/25/96/78/177259678.db2.gz KKXMQMYNJVSQBL-TXEJJXNPSA-N 1 2 263.337 2.082 10 0 CEAELO COC(=O)c1cccc(C[N@@H+]2[C@H](C)COC[C@@H]2C)c1 ZINC000077371041 177259679 /nfs/dbraw/zinc/25/96/79/177259679.db2.gz KKXMQMYNJVSQBL-TXEJJXNPSA-N 1 2 263.337 2.082 10 0 CEAELO CC(C)CCC[C@H](C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000077930236 177311130 /nfs/dbraw/zinc/31/11/30/177311130.db2.gz FTVHMSIVXJEHAW-LSDHHAIUSA-N 1 2 299.459 2.221 10 0 CEAELO CC(C)c1nnc(C[N@@H+]2CCc3ccccc3C2)n1C ZINC000195006628 270305048 /nfs/dbraw/zinc/30/50/48/270305048.db2.gz VVSQPRHFCLOHHH-UHFFFAOYSA-N 1 2 270.380 2.497 10 0 CEAELO CC(C)c1nnc(C[N@H+]2CCc3ccccc3C2)n1C ZINC000195006628 270305050 /nfs/dbraw/zinc/30/50/50/270305050.db2.gz VVSQPRHFCLOHHH-UHFFFAOYSA-N 1 2 270.380 2.497 10 0 CEAELO CCOc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000171702636 280097889 /nfs/dbraw/zinc/09/78/89/280097889.db2.gz DFPKHSYPYPHBGO-LBPRGKRZSA-N 1 2 294.420 2.461 10 0 CEAELO CCOc1ccccc1NC(=O)C[N@H+]1CCS[C@@H](C)C1 ZINC000171702636 280097890 /nfs/dbraw/zinc/09/78/90/280097890.db2.gz DFPKHSYPYPHBGO-LBPRGKRZSA-N 1 2 294.420 2.461 10 0 CEAELO CC[C@H](C)NC(=O)[C@@H](C)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000247634559 280335617 /nfs/dbraw/zinc/33/56/17/280335617.db2.gz OASSBYXBJUZUPB-XXRNEEKGSA-N 1 2 299.440 2.016 10 0 CEAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cncc(C)c1 ZINC000184412974 293514130 /nfs/dbraw/zinc/51/41/30/293514130.db2.gz MNXRLAFZWQYEDD-RISCZKNCSA-N 1 2 271.368 2.476 10 0 CEAELO Cc1cc[nH+]c(N[C@H]2CCC(=O)N[C@H]2C)c1Br ZINC000286491793 302278670 /nfs/dbraw/zinc/27/86/70/302278670.db2.gz PSHFPMPVBKPLKT-IUCAKERBSA-N 1 2 298.184 2.232 10 0 CEAELO Cc1nc(N2CC[S@](=O)C(C)(C)C2)c2c([nH+]1)CCCC2 ZINC000302104210 302649188 /nfs/dbraw/zinc/64/91/88/302649188.db2.gz REZNTLFFGCLSRV-FQEVSTJZSA-N 1 2 293.436 2.011 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1C[C@H]1C1CC1)C2 ZINC000176065628 312705118 /nfs/dbraw/zinc/70/51/18/312705118.db2.gz QAVNVKUJFPBMHW-STQMWFEESA-N 1 2 287.407 2.474 10 0 CEAELO C[N@H+]1CCO[C@@H](CNCc2c(F)ccc(F)c2Cl)C1 ZINC000527654843 313190950 /nfs/dbraw/zinc/19/09/50/313190950.db2.gz UAXLNEMOUJKRQI-VIFPVBQESA-N 1 2 290.741 2.038 10 0 CEAELO C[N@@H+]1CCO[C@@H](CNCc2c(F)ccc(F)c2Cl)C1 ZINC000527654843 313190947 /nfs/dbraw/zinc/19/09/47/313190947.db2.gz UAXLNEMOUJKRQI-VIFPVBQESA-N 1 2 290.741 2.038 10 0 CEAELO CC(C)[NH2+]CCS(=O)(=O)Nc1nc2ccccc2s1 ZINC000049641313 519722323 /nfs/dbraw/zinc/72/23/23/519722323.db2.gz MBRUTHRLUGMCQF-UHFFFAOYSA-N 1 2 299.421 2.036 10 0 CEAELO CC(C)[NH2+][C@@](C[N@@H+]1CCCC1(C)C)(C(=O)[O-])C1CC1 ZINC000069232879 519737111 /nfs/dbraw/zinc/73/71/11/519737111.db2.gz BVUWETYRNSQWPP-OAHLLOKOSA-N 1 2 268.401 2.092 10 0 CEAELO CC(C)[NH2+][C@@](C[N@H+]1CCCC1(C)C)(C(=O)[O-])C1CC1 ZINC000069232879 519737113 /nfs/dbraw/zinc/73/71/13/519737113.db2.gz BVUWETYRNSQWPP-OAHLLOKOSA-N 1 2 268.401 2.092 10 0 CEAELO CCC[NH2+][C@](C[N@H+](C)C(C)(C)CC)(C(=O)[O-])C1CC1 ZINC000069446916 520117514 /nfs/dbraw/zinc/11/75/14/520117514.db2.gz IAUIPODPIURBMW-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](C)C(C)(C)CC)(C(=O)[O-])C1CC1 ZINC000069446916 520117529 /nfs/dbraw/zinc/11/75/29/520117529.db2.gz IAUIPODPIURBMW-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CCOC(=O)CC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000068814274 520589867 /nfs/dbraw/zinc/58/98/67/520589867.db2.gz GBMMDVBXXQUFEY-UHFFFAOYSA-N 1 2 283.755 2.294 10 0 CEAELO CCOC(=O)CC(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000068814274 520589878 /nfs/dbraw/zinc/58/98/78/520589878.db2.gz GBMMDVBXXQUFEY-UHFFFAOYSA-N 1 2 283.755 2.294 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@@H](C)n1cc(C)cn1)[NH2+]C1CC1 ZINC000068648976 521151280 /nfs/dbraw/zinc/15/12/80/521151280.db2.gz IRKDWVDWNXRZEO-IUODEOHRSA-N 1 2 279.384 2.216 10 0 CEAELO CCCC[C@H](CC)COCC[C@H]([NH2+]C)C(=O)OC ZINC000062543046 521181508 /nfs/dbraw/zinc/18/15/08/521181508.db2.gz GOYIPWUNEMJVIS-STQMWFEESA-N 1 2 259.390 2.371 10 0 CEAELO C[NH2+][C@@](COc1cc(C)cc(C)c1)(C(=O)OC)C1CC1 ZINC000069197407 522427728 /nfs/dbraw/zinc/42/77/28/522427728.db2.gz SNDPGMKEVAVXDO-MRXNPFEDSA-N 1 2 277.364 2.223 10 0 CEAELO C[NH2+][C@H](c1ncccn1)c1cc(Cl)ccc1OC ZINC000055224822 522487712 /nfs/dbraw/zinc/48/77/12/522487712.db2.gz QGDVGVKEPXDPOO-LBPRGKRZSA-N 1 2 263.728 2.447 10 0 CEAELO Brc1cccc(NCCn2cc[nH+]c2)n1 ZINC000069017877 518220237 /nfs/dbraw/zinc/22/02/37/518220237.db2.gz RFANMUSIXJXEQM-UHFFFAOYSA-N 1 2 267.130 2.153 10 0 CEAELO CC(C)Cn1cnnc1[C@H]1Cc2ccccc2C[NH2+]1 ZINC000054526239 519531071 /nfs/dbraw/zinc/53/10/71/519531071.db2.gz WHDRYHWTEVVWDR-CQSZACIVSA-N 1 2 256.353 2.321 10 0 CEAELO CC(C)[C@@H](C)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061522698 519792478 /nfs/dbraw/zinc/79/24/78/519792478.db2.gz FHNZANLWWYXVHW-MRVPVSSYSA-N 1 2 266.736 2.167 10 0 CEAELO CCCc1[nH]n(Cc2ccc(C)cc2)c(=O)c1CC[NH3+] ZINC000069506247 519894029 /nfs/dbraw/zinc/89/40/29/519894029.db2.gz LEJIBEONPCIPMW-AWEZNQCLSA-N 1 2 273.380 2.458 10 0 CEAELO CCC[NH2+][C@@](Cn1nc(C)c(C)c1C)(C(=O)OC)C1CC1 ZINC000069192830 520059485 /nfs/dbraw/zinc/05/94/85/520059485.db2.gz BZBSPGUCEXATEB-MRXNPFEDSA-N 1 2 293.411 2.130 10 0 CEAELO CCC[NH2+][C@H](CCOCCOc1ccccc1)C(=O)OC ZINC000062544058 520076031 /nfs/dbraw/zinc/07/60/31/520076031.db2.gz OCCWOILQQFJBOS-OAHLLOKOSA-N 1 2 295.379 2.013 10 0 CEAELO CCC[NH2+][C@H](CCSc1ccccn1)C(=O)OCC ZINC000062599236 520080478 /nfs/dbraw/zinc/08/04/78/520080478.db2.gz CWUJWZFVBSPGAC-GFCCVEGCSA-N 1 2 282.409 2.495 10 0 CEAELO CCC[NH2+][C@](C[N@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095824 520116202 /nfs/dbraw/zinc/11/62/02/520116202.db2.gz NGCUSVXRDVXVHT-INIZCTEOSA-N 1 2 282.428 2.484 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095824 520116212 /nfs/dbraw/zinc/11/62/12/520116212.db2.gz NGCUSVXRDVXVHT-INIZCTEOSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@@](COc1ccc(OC)cc1)(C(=O)OC)C1CC1 ZINC000069197750 520158660 /nfs/dbraw/zinc/15/86/60/520158660.db2.gz NABSWQQQGZVUOT-MRXNPFEDSA-N 1 2 293.363 2.005 10 0 CEAELO CC[NH2+][C@H](COc1cccc(C(C)C)c1)C(=O)OC ZINC000045511420 520201293 /nfs/dbraw/zinc/20/12/93/520201293.db2.gz SQQMDUYDRDAXLZ-CQSZACIVSA-N 1 2 265.353 2.340 10 0 CEAELO CCCNc1snnc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763205 520204131 /nfs/dbraw/zinc/20/41/31/520204131.db2.gz BONDRGRAZHYLBS-LLVKDONJSA-N 1 2 284.429 2.097 10 0 CEAELO CCCNc1snnc1C[N@H+]1CCC[C@@H]1CCCO ZINC000052763205 520204135 /nfs/dbraw/zinc/20/41/35/520204135.db2.gz BONDRGRAZHYLBS-LLVKDONJSA-N 1 2 284.429 2.097 10 0 CEAELO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)c1ncccn1 ZINC000055224918 520208695 /nfs/dbraw/zinc/20/86/95/520208695.db2.gz FGTFXVZZPFJTRV-CQSZACIVSA-N 1 2 273.336 2.193 10 0 CEAELO CCNc1nc(C[N@@H+]2CCC[C@H](O)C2)nc2sccc21 ZINC000050817162 520355995 /nfs/dbraw/zinc/35/59/95/520355995.db2.gz KOFLAXNCCBODQY-JTQLQIEISA-N 1 2 292.408 2.080 10 0 CEAELO CCNc1nc(C[N@H+]2CCC[C@H](O)C2)nc2sccc21 ZINC000050817162 520356001 /nfs/dbraw/zinc/35/60/01/520356001.db2.gz KOFLAXNCCBODQY-JTQLQIEISA-N 1 2 292.408 2.080 10 0 CEAELO CCNc1ncccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052724837 520377788 /nfs/dbraw/zinc/37/77/88/520377788.db2.gz KHXZVWMDCNPCLH-KBPBESRZSA-N 1 2 261.369 2.267 10 0 CEAELO CCNc1ncccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052724837 520377794 /nfs/dbraw/zinc/37/77/94/520377794.db2.gz KHXZVWMDCNPCLH-KBPBESRZSA-N 1 2 261.369 2.267 10 0 CEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000184165262 520595028 /nfs/dbraw/zinc/59/50/28/520595028.db2.gz OVHAMXJOFQXIKN-CQSZACIVSA-N 1 2 280.343 2.265 10 0 CEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000184165262 520595035 /nfs/dbraw/zinc/59/50/35/520595035.db2.gz OVHAMXJOFQXIKN-CQSZACIVSA-N 1 2 280.343 2.265 10 0 CEAELO CC1=NN(c2ccc(F)cc2C)C(=O)[C@H]1CCC[NH3+] ZINC000069506524 520894860 /nfs/dbraw/zinc/89/48/60/520894860.db2.gz AVOOMJONLFGYEP-LBPRGKRZSA-N 1 2 263.316 2.212 10 0 CEAELO CCOC(=O)[C@@H](CCO[C@@H]1CCCC[C@@H]1C)[NH2+]C ZINC000062543857 521060530 /nfs/dbraw/zinc/06/05/30/521060530.db2.gz VGDPHYUKEKTKNJ-YNEHKIRRSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@@](C)(CCN(C)c1cccc(F)c1)[NH2+]C ZINC000050008443 521145102 /nfs/dbraw/zinc/14/51/02/521145102.db2.gz ZYOJFBFDCKCAAK-OAHLLOKOSA-N 1 2 282.359 2.193 10 0 CEAELO CCOC(=O)[C@@](C)(C[NH+]1Cc2ccccc2C1)NC(C)C ZINC000050912217 521148375 /nfs/dbraw/zinc/14/83/75/521148375.db2.gz LELNMMUAXWUANF-QGZVFWFLSA-N 1 2 290.407 2.322 10 0 CEAELO CCOC(=O)[C@@](C)(CN1Cc2ccccc2C1)[NH2+]C(C)C ZINC000050912217 521148381 /nfs/dbraw/zinc/14/83/81/521148381.db2.gz LELNMMUAXWUANF-QGZVFWFLSA-N 1 2 290.407 2.322 10 0 CEAELO CCN(CC[C@@H]([NH2+]C1CC1)C(=O)OC)c1ccccc1 ZINC000062443916 521157421 /nfs/dbraw/zinc/15/74/21/521157421.db2.gz MFKZUMGMLHARMZ-OAHLLOKOSA-N 1 2 276.380 2.197 10 0 CEAELO CCN(CC[C@H]([NH2+]C1CC1)C(=O)OC)c1ccccc1 ZINC000062443913 521160578 /nfs/dbraw/zinc/16/05/78/521160578.db2.gz MFKZUMGMLHARMZ-HNNXBMFYSA-N 1 2 276.380 2.197 10 0 CEAELO CCOC(=O)[C@@](CSCc1ccco1)([NH2+]C)C1CC1 ZINC000069184369 521168759 /nfs/dbraw/zinc/16/87/59/521168759.db2.gz UZSMIKFWUPKEGW-AWEZNQCLSA-N 1 2 283.393 2.444 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)Oc1cccc(OC)c1)[NH2+]C ZINC000068655565 521322713 /nfs/dbraw/zinc/32/27/13/521322713.db2.gz IJIWKJHNYGQLER-WBMJQRKESA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@](CO[C@H](C)CC(C)C)([NH2+]C)C1CC1 ZINC000069196532 521344081 /nfs/dbraw/zinc/34/40/81/521344081.db2.gz VBSCERQLXRRZND-IUODEOHRSA-N 1 2 271.401 2.369 10 0 CEAELO CCOc1ccccc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680318 521463651 /nfs/dbraw/zinc/46/36/51/521463651.db2.gz OUVXMIPDRYGVRK-UHFFFAOYSA-N 1 2 257.293 2.315 10 0 CEAELO CCC[N@H+](CC1CC1)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069131911 521625091 /nfs/dbraw/zinc/62/50/91/521625091.db2.gz COYASPDTIJNPAJ-MRXNPFEDSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[N@@H+](CC1CC1)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069131911 521625093 /nfs/dbraw/zinc/62/50/93/521625093.db2.gz COYASPDTIJNPAJ-MRXNPFEDSA-N 1 2 282.428 2.340 10 0 CEAELO CCCn1cc[nH+]c1CNc1cccc(S(C)(=O)=O)c1 ZINC000061878068 521663110 /nfs/dbraw/zinc/66/31/10/521663110.db2.gz POIRATSTPXJDBI-UHFFFAOYSA-N 1 2 293.392 2.309 10 0 CEAELO COc1c(C)cnc(C[NH2+]Cc2cnc(C)cn2)c1C ZINC000061321333 521812306 /nfs/dbraw/zinc/81/23/06/521812306.db2.gz IWRWGGBTYAPDNX-UHFFFAOYSA-N 1 2 272.352 2.095 10 0 CEAELO COc1c(C)c[nH+]c(CNCc2cnc(C)cn2)c1C ZINC000061321333 521812315 /nfs/dbraw/zinc/81/23/15/521812315.db2.gz IWRWGGBTYAPDNX-UHFFFAOYSA-N 1 2 272.352 2.095 10 0 CEAELO COC(=O)c1cc(NCc2c[nH+]c[nH]2)c(F)cc1F ZINC000054764796 521894859 /nfs/dbraw/zinc/89/48/59/521894859.db2.gz UNABQZIJESJBKN-UHFFFAOYSA-N 1 2 267.235 2.087 10 0 CEAELO COC(=O)c1cc(NCc2c[nH]c[nH+]2)c(F)cc1F ZINC000054764796 521894869 /nfs/dbraw/zinc/89/48/69/521894869.db2.gz UNABQZIJESJBKN-UHFFFAOYSA-N 1 2 267.235 2.087 10 0 CEAELO C[NH2+][C@@](CSc1ccc(F)cc1)(C(=O)OC)C1CC1 ZINC000069186736 522433825 /nfs/dbraw/zinc/43/38/25/522433825.db2.gz BQSCLXPVRSHKHV-CQSZACIVSA-N 1 2 283.368 2.459 10 0 CEAELO CNc1cc(CN2CC(=O)Nc3ccccc32)cc[nH+]1 ZINC000052718243 522565552 /nfs/dbraw/zinc/56/55/52/522565552.db2.gz MPJRPZCZTDIVNO-UHFFFAOYSA-N 1 2 268.320 2.082 10 0 CEAELO CNc1ccc(C)cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000053005080 522604400 /nfs/dbraw/zinc/60/44/00/522604400.db2.gz SJKYAZJSBNYTMP-LBPRGKRZSA-N 1 2 272.352 2.052 10 0 CEAELO CNc1nc(-c2ccc3c(c2)OCCO3)[nH+]c2c1CCC2 ZINC000050867617 522677302 /nfs/dbraw/zinc/67/73/02/522677302.db2.gz BJCCKXAUXIVIDQ-UHFFFAOYSA-N 1 2 283.331 2.445 10 0 CEAELO CNc1[nH+]cccc1COc1cccc(S(C)(=O)=O)c1 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/nfs/dbraw/zinc/51/70/69/527517069.db2.gz WQEFIYPYWSYIAR-UHFFFAOYSA-N 1 2 254.337 2.223 10 0 CEAELO Nc1cccc(C[N@@H+](Cc2ncccn2)C2CC2)c1 ZINC000054460456 527517076 /nfs/dbraw/zinc/51/70/76/527517076.db2.gz WQEFIYPYWSYIAR-UHFFFAOYSA-N 1 2 254.337 2.223 10 0 CEAELO O[C@@H]1CCC[N@H+](Cc2noc(-c3ccccc3Cl)n2)C1 ZINC000054622404 527670569 /nfs/dbraw/zinc/67/05/69/527670569.db2.gz TXYWKUBMJJLCNG-SNVBAGLBSA-N 1 2 293.754 2.347 10 0 CEAELO O[C@@H]1CCC[N@@H+](Cc2noc(-c3ccccc3Cl)n2)C1 ZINC000054622404 527670574 /nfs/dbraw/zinc/67/05/74/527670574.db2.gz TXYWKUBMJJLCNG-SNVBAGLBSA-N 1 2 293.754 2.347 10 0 CEAELO COc1ccccc1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000034488936 538892885 /nfs/dbraw/zinc/89/28/85/538892885.db2.gz VECIJWYNDSDLKH-NSHDSACASA-N 1 2 285.347 2.470 10 0 CEAELO COc1ccccc1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000034488936 538892886 /nfs/dbraw/zinc/89/28/86/538892886.db2.gz VECIJWYNDSDLKH-NSHDSACASA-N 1 2 285.347 2.470 10 0 CEAELO COC[C@@H]([NH3+])c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000167532930 639521331 /nfs/dbraw/zinc/52/13/31/639521331.db2.gz GRTZJXOLVZRXOM-SNVBAGLBSA-N 1 2 285.706 2.099 10 0 CEAELO C[C@H]1C[N@H+](Cn2cnc(-c3ccccc3)n2)CCS1 ZINC000117863747 645960736 /nfs/dbraw/zinc/96/07/36/645960736.db2.gz UQAXCPNXDQAXNJ-LBPRGKRZSA-N 1 2 274.393 2.340 10 0 CEAELO C[C@H]1C[N@@H+](Cn2cnc(-c3ccccc3)n2)CCS1 ZINC000117863747 645960739 /nfs/dbraw/zinc/96/07/39/645960739.db2.gz UQAXCPNXDQAXNJ-LBPRGKRZSA-N 1 2 274.393 2.340 10 0 CEAELO Cn1ccnc1[C@@H]([NH3+])c1sccc1Br ZINC000082614369 178126544 /nfs/dbraw/zinc/12/65/44/178126544.db2.gz XKLICIPWKUWARB-ZETCQYMHSA-N 1 2 272.171 2.292 10 0 CEAELO [NH3+][C@@H](c1nc(-c2cncs2)no1)c1ccccc1 ZINC000096884838 185120166 /nfs/dbraw/zinc/12/01/66/185120166.db2.gz FEVFQCLBAKGKQJ-SNVBAGLBSA-N 1 2 258.306 2.241 10 0 CEAELO CCCn1c[nH+]cc1C[S@](=O)c1ccc(N)cc1 ZINC000090448578 539194994 /nfs/dbraw/zinc/19/49/94/539194994.db2.gz QPYRLSBRGMJDHW-GOSISDBHSA-N 1 2 263.366 2.183 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)C2 ZINC000220577182 539258226 /nfs/dbraw/zinc/25/82/26/539258226.db2.gz MTTUWDPIOHGTTI-GMXVVIOVSA-N 1 2 275.396 2.328 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000220577182 539258228 /nfs/dbraw/zinc/25/82/28/539258228.db2.gz MTTUWDPIOHGTTI-GMXVVIOVSA-N 1 2 275.396 2.328 10 0 CEAELO CCOC(=O)[C@H]([NH3+])c1cc(OC)ccc1Br ZINC000228763475 344563604 /nfs/dbraw/zinc/56/36/04/344563604.db2.gz GCLSPFXHNARJGO-SNVBAGLBSA-N 1 2 288.141 2.021 10 0 CEAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)Nc1cccc(F)c1 ZINC000051996065 362457298 /nfs/dbraw/zinc/45/72/98/362457298.db2.gz ZXGQZMYUYUIPNC-LSDHHAIUSA-N 1 2 292.354 2.408 10 0 CEAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)Nc1cccc(F)c1 ZINC000051996065 362457304 /nfs/dbraw/zinc/45/73/04/362457304.db2.gz ZXGQZMYUYUIPNC-LSDHHAIUSA-N 1 2 292.354 2.408 10 0 CEAELO CCc1cnccc1C(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000328639668 344757567 /nfs/dbraw/zinc/75/75/67/344757567.db2.gz WYQHZESZEDMHRC-CYBMUJFWSA-N 1 2 298.390 2.175 10 0 CEAELO CC(C)n1cccc1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328619966 344755970 /nfs/dbraw/zinc/75/59/70/344755970.db2.gz GOPUFNQQJHODPU-CYBMUJFWSA-N 1 2 286.379 2.258 10 0 CEAELO Cc1cc(C)c(C(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000328630272 344756716 /nfs/dbraw/zinc/75/67/16/344756716.db2.gz PSINMURPRFDKHW-CYBMUJFWSA-N 1 2 287.363 2.428 10 0 CEAELO COC[C@@](C)(O)CNc1[nH+]ccc2c(OC)cccc21 ZINC000382560031 344826143 /nfs/dbraw/zinc/82/61/43/344826143.db2.gz LECFZUBFDCFWRP-HNNXBMFYSA-N 1 2 276.336 2.053 10 0 CEAELO [NH3+][C@@H](c1ccsn1)c1nscc1Br ZINC000404768425 344882061 /nfs/dbraw/zinc/88/20/61/344882061.db2.gz HZNJPCLMHQQZRR-LURJTMIESA-N 1 2 276.184 2.410 10 0 CEAELO c1c(CC[NH+]2CCOCC2)noc1-c1ccccc1 ZINC000584607127 344964213 /nfs/dbraw/zinc/96/42/13/344964213.db2.gz IWFDFAVUKYJQTM-UHFFFAOYSA-N 1 2 258.321 2.216 10 0 CEAELO O=C(N[C@@H]1CCCc2sccc21)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000335052555 295749615 /nfs/dbraw/zinc/74/96/15/295749615.db2.gz SMRMUCXNWJRHFV-ZJUUUORDSA-N 1 2 286.347 2.239 10 0 CEAELO Cc1[nH+]c([C@H]2C[C@@H]2C)nc(N)c1I ZINC000085459589 179068457 /nfs/dbraw/zinc/06/84/57/179068457.db2.gz TUEUIALHLQKBBG-NJGYIYPDSA-N 1 2 289.120 2.095 10 0 CEAELO COCc1nc(C[NH+](C)C)nc(Cl)c1Br ZINC000085792410 179171465 /nfs/dbraw/zinc/17/14/65/179171465.db2.gz ACAATERZHSYUFG-UHFFFAOYSA-N 1 2 294.580 2.101 10 0 CEAELO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccco1 ZINC000085969404 179206883 /nfs/dbraw/zinc/20/68/83/179206883.db2.gz YGLIEMMPTGBHER-IPYPFGDCSA-N 1 2 289.379 2.243 10 0 CEAELO CC(C)N(Cc1cc(NN)cc[nH+]1)CC(F)(F)F ZINC000086135213 179236774 /nfs/dbraw/zinc/23/67/74/179236774.db2.gz CTCSNGMAFPCXNL-UHFFFAOYSA-N 1 2 262.279 2.140 10 0 CEAELO Cc1cc(C)nc(SCc2cc(NN)cc[nH+]2)n1 ZINC000086135829 179237045 /nfs/dbraw/zinc/23/70/45/179237045.db2.gz KRCPMAUICJMTEX-UHFFFAOYSA-N 1 2 261.354 2.066 10 0 CEAELO CC(C)(C)OC(=O)C[NH2+]CC1(O)CCCCCC1 ZINC000087089207 179393337 /nfs/dbraw/zinc/39/33/37/179393337.db2.gz CUTURZFHPUXXCE-UHFFFAOYSA-N 1 2 257.374 2.003 10 0 CEAELO CCCn1ccnc1[C@H]([NH3+])c1snnc1C(C)(C)C ZINC000087456821 179428678 /nfs/dbraw/zinc/42/86/78/179428678.db2.gz CUQUOVYHSZYQQD-SECBINFHSA-N 1 2 279.413 2.490 10 0 CEAELO CCOC(=O)N1CC[NH2+][C@@H](c2cc3ccccc3cn2)C1 ZINC000616633520 348542088 /nfs/dbraw/zinc/54/20/88/348542088.db2.gz ZSVHIJDRGKUKJQ-OAHLLOKOSA-N 1 2 285.347 2.338 10 0 CEAELO CNc1cc(-n2cc(Cl)cn2)nc(SC)[nH+]1 ZINC000087839588 179498351 /nfs/dbraw/zinc/49/83/51/179498351.db2.gz WKVZIEQDUITRNI-UHFFFAOYSA-N 1 2 255.734 2.079 10 0 CEAELO c1c[nH]c([C@@H]2CCOCC[N@H+]2Cc2ccccc2)n1 ZINC000616598955 348530178 /nfs/dbraw/zinc/53/01/78/348530178.db2.gz VVUXYIPMYBLFJH-AWEZNQCLSA-N 1 2 257.337 2.373 10 0 CEAELO c1c[nH]c([C@@H]2CCOCC[N@@H+]2Cc2ccccc2)n1 ZINC000616598955 348530181 /nfs/dbraw/zinc/53/01/81/348530181.db2.gz VVUXYIPMYBLFJH-AWEZNQCLSA-N 1 2 257.337 2.373 10 0 CEAELO CCn1c[nH+]cc1CNc1ccccc1S(=O)(=O)CC ZINC000090171680 179925220 /nfs/dbraw/zinc/92/52/20/179925220.db2.gz DEMAMVIVUHEAEK-UHFFFAOYSA-N 1 2 293.392 2.309 10 0 CEAELO NC(=S)c1ccc[nH+]c1NCCOC1CCCC1 ZINC000104436871 186001475 /nfs/dbraw/zinc/00/14/75/186001475.db2.gz LPNNNLPCBRJLNL-UHFFFAOYSA-N 1 2 265.382 2.087 10 0 CEAELO CCC[NH2+][C@](CO[C@H](C)C(F)(F)F)(C(=O)OC)C1CC1 ZINC000090674462 180021469 /nfs/dbraw/zinc/02/14/69/180021469.db2.gz NWBOREMHCYLFHG-SKDRFNHKSA-N 1 2 297.317 2.275 10 0 CEAELO COC(=O)c1cc(NCc2cccc(N)c2)cc[nH+]1 ZINC000090739511 180035214 /nfs/dbraw/zinc/03/52/14/180035214.db2.gz ARKWEJNCRACNIZ-UHFFFAOYSA-N 1 2 257.293 2.063 10 0 CEAELO CCOc1cc(-n2cc[nH+]c2-c2ccc(N)cc2)ncn1 ZINC000090784512 180039559 /nfs/dbraw/zinc/03/95/59/180039559.db2.gz IMDKANLAINXHDB-UHFFFAOYSA-N 1 2 281.319 2.310 10 0 CEAELO CCOC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894725 180055790 /nfs/dbraw/zinc/05/57/90/180055790.db2.gz YCFRBWTZBKTLHR-KBPBESRZSA-N 1 2 293.338 2.157 10 0 CEAELO CCOC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894725 180055793 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O=C(NCC(C1CCC1)C1CCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638456864 370545633 /nfs/dbraw/zinc/54/56/33/370545633.db2.gz PMYVFRXEEQBHOS-CYBMUJFWSA-N 1 2 286.366 2.316 10 0 CEAELO CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000247249876 371083966 /nfs/dbraw/zinc/08/39/66/371083966.db2.gz QDWYPMXYRNRCFX-KFWWJZLASA-N 1 2 284.444 2.427 10 0 CEAELO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000247249876 371083972 /nfs/dbraw/zinc/08/39/72/371083972.db2.gz QDWYPMXYRNRCFX-KFWWJZLASA-N 1 2 284.444 2.427 10 0 CEAELO CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000248345231 371177177 /nfs/dbraw/zinc/17/71/77/371177177.db2.gz MOBGXZMNDLNYKJ-IUODEOHRSA-N 1 2 271.368 2.447 10 0 CEAELO CC(C)n1nnnc1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000248345231 371177186 /nfs/dbraw/zinc/17/71/86/371177186.db2.gz MOBGXZMNDLNYKJ-IUODEOHRSA-N 1 2 271.368 2.447 10 0 CEAELO CNC(=O)N1CC[C@H](c2[nH+]cc(C)n2Cc2ccccc2)C1 ZINC000257193655 371608599 /nfs/dbraw/zinc/60/85/99/371608599.db2.gz RVWJQURAYYSYRV-HNNXBMFYSA-N 1 2 298.390 2.369 10 0 CEAELO CCOC(=O)[C@H]([NH3+])c1c(Br)cccc1OC ZINC000260146999 371632282 /nfs/dbraw/zinc/63/22/82/371632282.db2.gz IYIQCRNSQMRRDR-SNVBAGLBSA-N 1 2 288.141 2.021 10 0 CEAELO CCOC(=O)[C@@H]([NH3+])c1ccc(OC)cc1Br ZINC000261250608 371636420 /nfs/dbraw/zinc/63/64/20/371636420.db2.gz GMPWFQHCESSKQU-JTQLQIEISA-N 1 2 288.141 2.021 10 0 CEAELO CC1CCC(N(Cc2noc(C[NH3+])n2)C2CC2)CC1 ZINC000262227382 371840139 /nfs/dbraw/zinc/84/01/39/371840139.db2.gz NLRAYPXZXBNQJW-UHFFFAOYSA-N 1 2 264.373 2.071 10 0 CEAELO OC[C@@H]1CCCN1c1cc(NC(C2CC2)C2CC2)[nH+]cn1 ZINC000267245981 372066011 /nfs/dbraw/zinc/06/60/11/372066011.db2.gz SVOHCNSTXQOURE-ZDUSSCGKSA-N 1 2 288.395 2.038 10 0 CEAELO OC[C@@H]1CCCN1c1cc(NC(C2CC2)C2CC2)nc[nH+]1 ZINC000267245981 372066016 /nfs/dbraw/zinc/06/60/16/372066016.db2.gz SVOHCNSTXQOURE-ZDUSSCGKSA-N 1 2 288.395 2.038 10 0 CEAELO CC(C)n1c(C2CCC2)nnc1N1CCn2cc[nH+]c2C1 ZINC000333249719 205154015 /nfs/dbraw/zinc/15/40/15/205154015.db2.gz RQZQBXZOTPBICN-UHFFFAOYSA-N 1 2 286.383 2.343 10 0 CEAELO CC(C)[C@@H](NC(=O)[C@@H]1CCc2cccnc21)c1[nH]cc[nH+]1 ZINC000333480826 205359377 /nfs/dbraw/zinc/35/93/77/205359377.db2.gz PIARWMJPNMPRBU-CHWSQXEVSA-N 1 2 284.363 2.348 10 0 CEAELO COC(=O)c1cccnc1C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000305976010 376532369 /nfs/dbraw/zinc/53/23/69/376532369.db2.gz QOBCNOCKVVTFHM-GHMZBOCLSA-N 1 2 280.393 2.194 10 0 CEAELO COC(=O)c1cccnc1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000305976010 376532378 /nfs/dbraw/zinc/53/23/78/376532378.db2.gz QOBCNOCKVVTFHM-GHMZBOCLSA-N 1 2 280.393 2.194 10 0 CEAELO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2nnnn2C(C)C)C1 ZINC000174347048 249326721 /nfs/dbraw/zinc/32/67/21/249326721.db2.gz WPOLTPZBJKVQSV-VXGBXAGGSA-N 1 2 283.445 2.360 10 0 CEAELO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnnn2C(C)C)C1 ZINC000174347048 249326724 /nfs/dbraw/zinc/32/67/24/249326724.db2.gz WPOLTPZBJKVQSV-VXGBXAGGSA-N 1 2 283.445 2.360 10 0 CEAELO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000300418861 379171404 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O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000094657519 184836115 /nfs/dbraw/zinc/83/61/15/184836115.db2.gz ONQBXCFPKRXJGL-HOTGVXAUSA-N 1 2 288.391 2.491 10 0 CEAELO Cc1cc2c(nc(N3CCCC3)[nH+]c2N2CCCC2)n1C ZINC000006070457 292013121 /nfs/dbraw/zinc/01/31/21/292013121.db2.gz UADIKEUOAMACNA-UHFFFAOYSA-N 1 2 285.395 2.477 10 0 in-vitro CEAELO C[C@H](Nc1cccc[nH+]1)C(=O)N1CCc2ccccc21 ZINC000301144619 394459432 /nfs/dbraw/zinc/45/94/32/394459432.db2.gz AALSRDYGVVIOGA-LBPRGKRZSA-N 1 2 267.332 2.471 10 0 CEAELO Fc1ccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000120990014 394789765 /nfs/dbraw/zinc/78/97/65/394789765.db2.gz WOWYWYMBIZNREE-CYBMUJFWSA-N 1 2 298.789 2.386 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cocn1 ZINC000191941836 395366898 /nfs/dbraw/zinc/36/68/98/395366898.db2.gz LBLQDKUYLMEVIJ-ZDUSSCGKSA-N 1 2 260.341 2.362 10 0 CEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cocn1 ZINC000191941836 395366905 /nfs/dbraw/zinc/36/69/05/395366905.db2.gz LBLQDKUYLMEVIJ-ZDUSSCGKSA-N 1 2 260.341 2.362 10 0 CEAELO [NH3+][C@H](c1cscn1)c1ncsc1Br ZINC000575453744 395664391 /nfs/dbraw/zinc/66/43/91/395664391.db2.gz SLYAKMGPAHEFAI-RXMQYKEDSA-N 1 2 276.184 2.410 10 0 CEAELO CCc1ccccc1C[N@@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000189043683 153078460 /nfs/dbraw/zinc/07/84/60/153078460.db2.gz KRIULIOVKBDTMK-HNNXBMFYSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1ccccc1C[N@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000189043683 153078467 /nfs/dbraw/zinc/07/84/67/153078467.db2.gz KRIULIOVKBDTMK-HNNXBMFYSA-N 1 2 286.379 2.249 10 0 CEAELO Cc1cc([C@H](C)NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)ccc1F ZINC000263312098 154055785 /nfs/dbraw/zinc/05/57/85/154055785.db2.gz YXFSEBJNSNCTOK-CABZTGNLSA-N 1 2 286.297 2.309 10 0 CEAELO Cc1cc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000173951717 165092156 /nfs/dbraw/zinc/09/21/56/165092156.db2.gz SNUNYAPXBFFXLT-GFCCVEGCSA-N 1 2 295.346 2.395 10 0 CEAELO Cc1cnc(NS(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)s1 ZINC000021024347 171290715 /nfs/dbraw/zinc/29/07/15/171290715.db2.gz OGJQEGLPDKEZEA-SECBINFHSA-N 1 2 297.405 2.272 10 0 CEAELO C[C@@H](Nc1cc(C(N)=S)cc[nH+]1)c1cccnc1 ZINC000035692343 172361780 /nfs/dbraw/zinc/36/17/80/172361780.db2.gz QEJQMYHANSPPLI-SECBINFHSA-N 1 2 258.350 2.284 10 0 CEAELO CC[C@@]([NH2+]C(C)C)(C(=O)OC)c1ccc(OC)cc1 ZINC000037445738 173212813 /nfs/dbraw/zinc/21/28/13/173212813.db2.gz JATRVFTZJGMQSJ-HNNXBMFYSA-N 1 2 265.353 2.472 10 0 CEAELO CCOC(=O)[C@@](C)([NH3+])c1ccc(OC(C)C)cc1 ZINC000037514811 173246542 /nfs/dbraw/zinc/24/65/42/173246542.db2.gz YKAWSSCGHHVOOV-AWEZNQCLSA-N 1 2 251.326 2.211 10 0 CEAELO CCCOc1ccc([C@](C)([NH3+])C(=O)OCC)cc1 ZINC000037514808 173247011 /nfs/dbraw/zinc/24/70/11/173247011.db2.gz YIGPWXHERITXEJ-AWEZNQCLSA-N 1 2 251.326 2.212 10 0 CEAELO CCCC[C@@H](CC)COC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC000038034914 174033478 /nfs/dbraw/zinc/03/34/78/174033478.db2.gz NTPBUHGLLRKKRB-ZIAGYGMSSA-N 1 2 299.415 2.062 10 0 CEAELO CC[C@@H](C)[NH2+][C@@](C)(C(=O)OC)c1ccc(O)cc1 ZINC000038067062 174078042 /nfs/dbraw/zinc/07/80/42/174078042.db2.gz DLJDITTWDCLUNE-QMTHXVAHSA-N 1 2 251.326 2.169 10 0 CEAELO OCCCc1[nH+]c2ccccc2n1C[C@H]1CCCO1 ZINC000040390165 174252366 /nfs/dbraw/zinc/25/23/66/174252366.db2.gz KFZCMWVXZLPPLC-GFCCVEGCSA-N 1 2 260.337 2.140 10 0 CEAELO CCOC1CC[NH+](CC(=O)c2ccc3c(c2)CCO3)CC1 ZINC000040678543 174374895 /nfs/dbraw/zinc/37/48/95/174374895.db2.gz MSLWLMHRTHUVGA-UHFFFAOYSA-N 1 2 289.375 2.305 10 0 CEAELO COCCCNc1[nH+]cnc(N2CCc3ccccc32)c1N ZINC000040687334 174375938 /nfs/dbraw/zinc/37/59/38/174375938.db2.gz BWVSLGYJIGENJN-UHFFFAOYSA-N 1 2 299.378 2.201 10 0 CEAELO CCOC(=O)c1cccc(Nc2nc[nH+]c(NC)c2N)c1 ZINC000040707100 174379340 /nfs/dbraw/zinc/37/93/40/174379340.db2.gz KKXOQBHOOZCULF-UHFFFAOYSA-N 1 2 287.323 2.021 10 0 CEAELO CCOC(=O)c1cccc(Nc2[nH+]cnc(NC)c2N)c1 ZINC000040707100 174379342 /nfs/dbraw/zinc/37/93/42/174379342.db2.gz KKXOQBHOOZCULF-UHFFFAOYSA-N 1 2 287.323 2.021 10 0 CEAELO C[N@@H+]1CCC[C@H](n2c(=O)c3ccsc3[nH]c2=S)C1 ZINC000040715992 174383488 /nfs/dbraw/zinc/38/34/88/174383488.db2.gz ZVYVUUYYLHQFPF-QMMMGPOBSA-N 1 2 281.406 2.013 10 0 CEAELO C[N@H+]1CCC[C@H](n2c(=O)c3ccsc3[nH]c2=S)C1 ZINC000040715992 174383489 /nfs/dbraw/zinc/38/34/89/174383489.db2.gz ZVYVUUYYLHQFPF-QMMMGPOBSA-N 1 2 281.406 2.013 10 0 CEAELO CCCCN(C)c1[nH+]cnc(N(CC)CC)c1N ZINC000040723163 174385314 /nfs/dbraw/zinc/38/53/14/174385314.db2.gz KEFHPUNREMELOJ-UHFFFAOYSA-N 1 2 251.378 2.141 10 0 CEAELO CCCCN(C)c1nc[nH+]c(N(CC)CC)c1N ZINC000040723163 174385316 /nfs/dbraw/zinc/38/53/16/174385316.db2.gz KEFHPUNREMELOJ-UHFFFAOYSA-N 1 2 251.378 2.141 10 0 CEAELO CCN(CC)c1[nH+]cnc(Nc2cccnc2)c1N ZINC000040723203 174385704 /nfs/dbraw/zinc/38/57/04/174385704.db2.gz LHYWVSLOAUMBKP-UHFFFAOYSA-N 1 2 258.329 2.044 10 0 CEAELO CC(=O)c1ccc(Nc2nc[nH+]c(N(C)C)c2N)cc1 ZINC000040723520 174385919 /nfs/dbraw/zinc/38/59/19/174385919.db2.gz ZVVDUHIALVVBIA-UHFFFAOYSA-N 1 2 271.324 2.071 10 0 CEAELO CC(=O)c1ccc(Nc2[nH+]cnc(N(C)C)c2N)cc1 ZINC000040723520 174385920 /nfs/dbraw/zinc/38/59/20/174385920.db2.gz ZVVDUHIALVVBIA-UHFFFAOYSA-N 1 2 271.324 2.071 10 0 CEAELO Nc1c(Nc2cccnc2Cl)nc[nH+]c1N1CCCC1 ZINC000040724590 174386681 /nfs/dbraw/zinc/38/66/81/174386681.db2.gz GAQBTTMIBRCNCQ-UHFFFAOYSA-N 1 2 290.758 2.451 10 0 CEAELO Cc1cc(C)n(-c2nc[nH+]c(N3CCCCCC3)c2N)n1 ZINC000040725742 174386949 /nfs/dbraw/zinc/38/69/49/174386949.db2.gz RYYGBNCXIPXZLP-UHFFFAOYSA-N 1 2 286.383 2.242 10 0 CEAELO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000043303951 175003033 /nfs/dbraw/zinc/00/30/33/175003033.db2.gz KXCZISUTLFHENT-MCIONIFRSA-N 1 2 282.428 2.275 10 0 CEAELO Cc1cc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)no1 ZINC000044299533 175161221 /nfs/dbraw/zinc/16/12/21/175161221.db2.gz ZCNKJZWAPZJILI-LLVKDONJSA-N 1 2 294.376 2.237 10 0 CEAELO Clc1ccc2c(NCc3nn[nH]n3)cc[nH+]c2c1 ZINC000044931665 175279560 /nfs/dbraw/zinc/27/95/60/175279560.db2.gz XVPUJVNUECBBFK-UHFFFAOYSA-N 1 2 260.688 2.013 10 0 CEAELO CCN(CCO)c1ccc([NH2+][C@H](C)CCOC)cc1 ZINC000045037016 175294514 /nfs/dbraw/zinc/29/45/14/175294514.db2.gz DRKWLJMJPBXHBK-CYBMUJFWSA-N 1 2 266.385 2.342 10 0 CEAELO CCN(CC[C@@](C)([NH2+]C)C(=O)OC)c1ccccc1C ZINC000045223081 175331171 /nfs/dbraw/zinc/33/11/71/175331171.db2.gz KMWNXQSYGNYWDA-MRXNPFEDSA-N 1 2 278.396 2.363 10 0 CEAELO COC(=O)[C@@](C)(CCN1CCc2ccccc21)[NH2+]C1CC1 ZINC000045224360 175332313 /nfs/dbraw/zinc/33/23/13/175332313.db2.gz BYHXARHEJPKENA-QGZVFWFLSA-N 1 2 288.391 2.123 10 0 CEAELO CCN(C[C@@](C)([NH2+]C(C)C)C(=O)OC)c1ccccc1 ZINC000045232088 175335363 /nfs/dbraw/zinc/33/53/63/175335363.db2.gz KKZWPNQRWUTAMZ-MRXNPFEDSA-N 1 2 278.396 2.443 10 0 CEAELO CC[NH2+][C@](C)(CN(CC)c1cccc(C)c1)C(=O)OC ZINC000045273169 175343989 /nfs/dbraw/zinc/34/39/89/175343989.db2.gz SYACDJOWHBWTKK-MRXNPFEDSA-N 1 2 278.396 2.363 10 0 CEAELO CCOC(=O)[C@](C)(CN(CC)c1cccc(F)c1)[NH2+]C ZINC000045275391 175345645 /nfs/dbraw/zinc/34/56/45/175345645.db2.gz CDPNMLRYILUDEE-HNNXBMFYSA-N 1 2 282.359 2.193 10 0 CEAELO CCN(CC[C@@](C)([NH2+]C)C(=O)OC)c1cccc(F)c1 ZINC000045275470 175345716 /nfs/dbraw/zinc/34/57/16/175345716.db2.gz HJPVKPMMAXLVAA-OAHLLOKOSA-N 1 2 282.359 2.193 10 0 CEAELO CCCCC[N@H+](C[C@](C)([NH2+]CC)C(=O)[O-])C(C)C ZINC000045278531 175347979 /nfs/dbraw/zinc/34/79/79/175347979.db2.gz YNCHUCQYLZHZCK-AWEZNQCLSA-N 1 2 258.406 2.340 10 0 CEAELO CCCCC[N@@H+](C[C@](C)([NH2+]CC)C(=O)[O-])C(C)C ZINC000045278531 175347980 /nfs/dbraw/zinc/34/79/80/175347980.db2.gz YNCHUCQYLZHZCK-AWEZNQCLSA-N 1 2 258.406 2.340 10 0 CEAELO CC(C)[C@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045863480 175384899 /nfs/dbraw/zinc/38/48/99/175384899.db2.gz WDKCIJBYJOXSJU-LBPRGKRZSA-N 1 2 274.368 2.221 10 0 CEAELO C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)c1[nH+]ccn1C ZINC000070444729 175936577 /nfs/dbraw/zinc/93/65/77/175936577.db2.gz SSTTYYXXYCZHCF-SNVBAGLBSA-N 1 2 270.336 2.478 10 0 CEAELO C[C@H]1Oc2c(cccc2C(=O)NCc2[nH]cc[nH+]2)[C@H]1C ZINC000070991693 176020049 /nfs/dbraw/zinc/02/00/49/176020049.db2.gz IZRGRRAXAGSAGZ-VHSXEESVSA-N 1 2 271.320 2.224 10 0 CEAELO CC[NH2+][C@@H](CO[C@@H]1CCC[C@@H](CC)C1)C(=O)OC ZINC000071133934 176035663 /nfs/dbraw/zinc/03/56/63/176035663.db2.gz KGQOXMQKDZXWJR-UPJWGTAASA-N 1 2 257.374 2.123 10 0 CEAELO CC[NH2+][C@@H](CO[C@H]1CCC[C@@H](CC)C1)C(=O)OC ZINC000071133932 176035993 /nfs/dbraw/zinc/03/59/93/176035993.db2.gz KGQOXMQKDZXWJR-AGIUHOORSA-N 1 2 257.374 2.123 10 0 CEAELO Cn1ncc2c1nc[nH+]c2Nc1ccc2c(c1)CCCN2 ZINC000071214996 176086248 /nfs/dbraw/zinc/08/62/48/176086248.db2.gz ZLCJGBUJEJBDFT-UHFFFAOYSA-N 1 2 280.335 2.465 10 0 CEAELO Cc1ccc(Cl)cc1NC(=O)C[NH2+]Cc1nccn1C ZINC000071273836 176105823 /nfs/dbraw/zinc/10/58/23/176105823.db2.gz YTTWVFHXSNKIEB-UHFFFAOYSA-N 1 2 292.770 2.110 10 0 CEAELO Cc1cccnc1Cn1c2ccc(N)cc2[nH+]c1[C@H](C)O ZINC000071345238 176131583 /nfs/dbraw/zinc/13/15/83/176131583.db2.gz QBIQHWVDHMFEHK-NSHDSACASA-N 1 2 282.347 2.424 10 0 CEAELO Cc1[nH+]c2ccccc2n1CCCn1ccc(N)n1 ZINC000071352587 176135543 /nfs/dbraw/zinc/13/55/43/176135543.db2.gz KCPLYULGERFANO-UHFFFAOYSA-N 1 2 255.325 2.214 10 0 CEAELO Cc1cc[nH+]cc1N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000071413706 176159185 /nfs/dbraw/zinc/15/91/85/176159185.db2.gz UYPDSRCFOWGWMF-NSHDSACASA-N 1 2 291.376 2.211 10 0 CEAELO CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)[nH+]c2)CC1 ZINC000077254136 177243365 /nfs/dbraw/zinc/24/33/65/177243365.db2.gz CASULRPRYNRGEL-UHFFFAOYSA-N 1 2 293.367 2.442 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@H+]1CCOc1ccccc1F ZINC000077366671 177258633 /nfs/dbraw/zinc/25/86/33/177258633.db2.gz NNLJWDUGLWRPNS-TXEJJXNPSA-N 1 2 253.317 2.314 10 0 CEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CCOc1ccccc1F ZINC000077366671 177258634 /nfs/dbraw/zinc/25/86/34/177258634.db2.gz NNLJWDUGLWRPNS-TXEJJXNPSA-N 1 2 253.317 2.314 10 0 CEAELO Cc1ccc(NC(=O)C[N@H+]2C[C@H](O)CC[C@@H]2C)c(Cl)c1 ZINC000399259455 270368474 /nfs/dbraw/zinc/36/84/74/270368474.db2.gz NTOUMWFVVBEDSY-NWDGAFQWSA-N 1 2 296.798 2.432 10 0 CEAELO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](O)CC[C@@H]2C)c(Cl)c1 ZINC000399259455 270368477 /nfs/dbraw/zinc/36/84/77/270368477.db2.gz NTOUMWFVVBEDSY-NWDGAFQWSA-N 1 2 296.798 2.432 10 0 CEAELO COC(=O)[C@H]1C[C@H](Oc2cccc(Cl)c2Cl)C[NH2+]1 ZINC000098088781 277407862 /nfs/dbraw/zinc/40/78/62/277407862.db2.gz QYJPUWKGQGKUHR-IONNQARKSA-N 1 2 290.146 2.276 10 0 CEAELO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000120932253 278041026 /nfs/dbraw/zinc/04/10/26/278041026.db2.gz GECGJFFSJRXMHU-RDBSUJKOSA-N 1 2 288.391 2.073 10 0 CEAELO C[C@@H]1C[C@@H]1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000072094644 288597415 /nfs/dbraw/zinc/59/74/15/288597415.db2.gz ZPATUBYGSHFTIH-VHDGCEQUSA-N 1 2 290.432 2.301 10 0 CEAELO COc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000171859538 295297472 /nfs/dbraw/zinc/29/74/72/295297472.db2.gz AGLSIBVQCOYTJB-KBPBESRZSA-N 1 2 262.353 2.234 10 0 CEAELO COc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000171859538 295297474 /nfs/dbraw/zinc/29/74/74/295297474.db2.gz AGLSIBVQCOYTJB-KBPBESRZSA-N 1 2 262.353 2.234 10 0 CEAELO C[C@H](C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)C1CCOCC1 ZINC000329361306 298042401 /nfs/dbraw/zinc/04/24/01/298042401.db2.gz ILWPCDAQAACZOW-AAEUAGOBSA-N 1 2 277.368 2.136 10 0 CEAELO C[C@H]1CC[C@H]([N@@H+]2CCC3(CCC3)S(=O)(=O)CC2)C1 ZINC000335177775 300069058 /nfs/dbraw/zinc/06/90/58/300069058.db2.gz RDBMSLMAVUOYRD-STQMWFEESA-N 1 2 271.426 2.218 10 0 CEAELO C[C@H]1CC[C@H]([N@H+]2CCC3(CCC3)S(=O)(=O)CC2)C1 ZINC000335177775 300069061 /nfs/dbraw/zinc/06/90/61/300069061.db2.gz RDBMSLMAVUOYRD-STQMWFEESA-N 1 2 271.426 2.218 10 0 CEAELO O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263292652 303889764 /nfs/dbraw/zinc/88/97/64/303889764.db2.gz VXJKZWSYMWMJQK-IRCOFANPSA-N 1 2 272.339 2.069 10 0 CEAELO CCCC1=NN(c2cccc(C)c2)C(=O)[C@H]1CC[NH3+] ZINC000069506204 519894800 /nfs/dbraw/zinc/89/48/00/519894800.db2.gz ZWOWRLFLMJRNHC-ZDUSSCGKSA-N 1 2 259.353 2.463 10 0 CEAELO CCCC1CC[NH+](C[C@@]([NH2+]CC)(C(=O)[O-])C2CC2)CC1 ZINC000069231651 519902223 /nfs/dbraw/zinc/90/22/23/519902223.db2.gz YGMIHJLSUGHNEV-INIZCTEOSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@@H](COc1cccc(F)c1F)C(=O)OCC ZINC000062653852 520011850 /nfs/dbraw/zinc/01/18/50/520011850.db2.gz BBEXHEGKZSAJQG-NSHDSACASA-N 1 2 287.306 2.275 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](CC)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069099245 520049388 /nfs/dbraw/zinc/04/93/88/520049388.db2.gz PWBYXPBFXDSQDX-MRXNPFEDSA-N 1 2 282.428 2.484 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](CC)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069099245 520049397 /nfs/dbraw/zinc/04/93/97/520049397.db2.gz PWBYXPBFXDSQDX-MRXNPFEDSA-N 1 2 282.428 2.484 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc(C)c(C)c1)C(=O)OC ZINC000062549395 520090122 /nfs/dbraw/zinc/09/01/22/520090122.db2.gz JMDIQGWHEGOXOU-AWEZNQCLSA-N 1 2 265.353 2.223 10 0 CEAELO CC[NH2+][C@@](C)(COc1ccccc1OC)C(=O)OCC ZINC000045518343 520137591 /nfs/dbraw/zinc/13/75/91/520137591.db2.gz MWSKZTWKBHRXTO-HNNXBMFYSA-N 1 2 281.352 2.005 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)N(CC)CC(F)(F)F)C(=O)OC ZINC000068629500 520139398 /nfs/dbraw/zinc/13/93/98/520139398.db2.gz HWHAXZDHLBTMPL-PWSUYJOCSA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@](C)(CCn1nc(C)c(C)c1C)C(=O)OCC ZINC000045458838 520232394 /nfs/dbraw/zinc/23/23/94/520232394.db2.gz VHLSNCPPLISDOU-OAHLLOKOSA-N 1 2 281.400 2.130 10 0 CEAELO CCOC(=O)C=C(O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000068813748 520590138 /nfs/dbraw/zinc/59/01/38/520590138.db2.gz CECVXZWEVTXCDK-JSGCOSHPSA-N 1 2 267.369 2.163 10 0 CEAELO CC[N@H+](C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1)C1CCCC1 ZINC000069099247 521274793 /nfs/dbraw/zinc/27/47/93/521274793.db2.gz NJJJADRVJCRQCE-MRXNPFEDSA-N 1 2 282.428 2.482 10 0 CEAELO CC[N@@H+](C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1)C1CCCC1 ZINC000069099247 521274801 /nfs/dbraw/zinc/27/48/01/521274801.db2.gz NJJJADRVJCRQCE-MRXNPFEDSA-N 1 2 282.428 2.482 10 0 CEAELO CCOC(=O)[C@](COc1ccccc1F)([NH2+]C)C1CC1 ZINC000069197257 521343259 /nfs/dbraw/zinc/34/32/59/521343259.db2.gz RMZMLNUXXMNYHE-OAHLLOKOSA-N 1 2 281.327 2.136 10 0 CEAELO O=C(CCC1CCOCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177774840 534336540 /nfs/dbraw/zinc/33/65/40/534336540.db2.gz QYKSKJNGHJRKDR-OAHLLOKOSA-N 1 2 291.395 2.081 10 0 CEAELO CC(C)C[N@H+](C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C(C)C ZINC000069147065 519717967 /nfs/dbraw/zinc/71/79/67/519717967.db2.gz RVKPJGNTGGJSFM-MRXNPFEDSA-N 1 2 282.428 2.338 10 0 CEAELO CC(C)C[N@@H+](C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C(C)C ZINC000069147065 519717969 /nfs/dbraw/zinc/71/79/69/519717969.db2.gz RVKPJGNTGGJSFM-MRXNPFEDSA-N 1 2 282.428 2.338 10 0 CEAELO CC(C)c1[nH+]c(-c2ccc(N(C)C)cc2)c(N)n1N ZINC000052839931 519858303 /nfs/dbraw/zinc/85/83/03/519858303.db2.gz XZZAINGSGGJGSW-UHFFFAOYSA-N 1 2 259.357 2.036 10 0 CEAELO CCCC1CC[NH+](C[C@]([NH2+]CC)(C(=O)[O-])C2CC2)CC1 ZINC000069231650 519902366 /nfs/dbraw/zinc/90/23/66/519902366.db2.gz YGMIHJLSUGHNEV-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@@](C)(Cn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062808011 520047382 /nfs/dbraw/zinc/04/73/82/520047382.db2.gz WNYCUKMAYCFLFH-INIZCTEOSA-N 1 2 289.379 2.442 10 0 CEAELO CCC[NH2+][C@](C[N@H+](CCC)CC1CC1)(C(=O)[O-])C1CC1 ZINC000069131909 520119222 /nfs/dbraw/zinc/11/92/22/520119222.db2.gz VKMNTBZHEYZHRM-INIZCTEOSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](CCC)CC1CC1)(C(=O)[O-])C1CC1 ZINC000069131909 520119229 /nfs/dbraw/zinc/11/92/29/520119229.db2.gz VKMNTBZHEYZHRM-INIZCTEOSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@](CSCCCOC)(C(=O)OC)C1CC1 ZINC000069191429 520125577 /nfs/dbraw/zinc/12/55/77/520125577.db2.gz BWQGHIPITCVEBB-AWEZNQCLSA-N 1 2 289.441 2.078 10 0 CEAELO CCC[NH2+][C@](CSc1ccccn1)(C(=O)OC)C1CC1 ZINC000069187078 520126113 /nfs/dbraw/zinc/12/61/13/520126113.db2.gz UPOHHTHSIZHWRI-HNNXBMFYSA-N 1 2 294.420 2.495 10 0 CEAELO CC[NH2+][C@@](C)(CCSc1ccccn1)C(=O)OC ZINC000045581772 520134282 /nfs/dbraw/zinc/13/42/82/520134282.db2.gz UEUHWCQVZIXQRF-ZDUSSCGKSA-N 1 2 268.382 2.105 10 0 CEAELO CCCNc1cc(CN2C(=O)[C@@H]3[C@H](C2=O)C3(C)C)cc[nH+]1 ZINC000068689847 520135542 /nfs/dbraw/zinc/13/55/42/520135542.db2.gz ZHYSNPRFQIRITL-BETUJISGSA-N 1 2 287.363 2.045 10 0 CEAELO CCCNc1cc(S(=O)(=O)Nc2cc[nH+]cc2)ccn1 ZINC000050649744 520139740 /nfs/dbraw/zinc/13/97/40/520139740.db2.gz NMIJEVZUFVKLFB-UHFFFAOYSA-N 1 2 292.364 2.099 10 0 CEAELO CC[NH2+][C@@](C[N@@H+]1CCC[C@@H]1C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069131998 520153934 /nfs/dbraw/zinc/15/39/34/520153934.db2.gz GLSFQVSLELCJPH-NVXWUHKLSA-N 1 2 294.439 2.484 10 0 CEAELO CC[NH2+][C@@](C[N@H+]1CCC[C@@H]1C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069131998 520153941 /nfs/dbraw/zinc/15/39/41/520153941.db2.gz GLSFQVSLELCJPH-NVXWUHKLSA-N 1 2 294.439 2.484 10 0 CEAELO CC[NH2+][C@H](CCSc1nc2ccccc2[nH]1)C(=O)OC ZINC000062598961 520195349 /nfs/dbraw/zinc/19/53/49/520195349.db2.gz NWQMUGCPTJZKIG-GFCCVEGCSA-N 1 2 293.392 2.196 10 0 CEAELO CC[NH2+][C@H](CCn1cc[nH+]c1-c1ccccc1)C(=O)[O-] ZINC000062536454 520196723 /nfs/dbraw/zinc/19/67/23/520196723.db2.gz XIZCIBVDPMQLGS-CYBMUJFWSA-N 1 2 273.336 2.003 10 0 CEAELO CC[NH2+][C@](CN(C)c1ccc(F)cc1)(C(=O)OC)C1CC1 ZINC000069231131 520245287 /nfs/dbraw/zinc/24/52/87/520245287.db2.gz KMRKEDQCENTEFS-INIZCTEOSA-N 1 2 294.370 2.193 10 0 CEAELO CCCCCOCC[C@@H]([NH2+]C1CC1)C(=O)OCC ZINC000062594980 520246173 /nfs/dbraw/zinc/24/61/73/520246173.db2.gz HPVRTTWNDRSVDG-CYBMUJFWSA-N 1 2 257.374 2.267 10 0 CEAELO CCCOc1ccccc1OCC[C@@H]([NH2+]CC)C(=O)OC ZINC000062544589 520484419 /nfs/dbraw/zinc/48/44/19/520484419.db2.gz JFMZZDJUSXGDOY-CYBMUJFWSA-N 1 2 295.379 2.395 10 0 CEAELO CCOC(=O)C=C(O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000068813748 520590130 /nfs/dbraw/zinc/59/01/30/520590130.db2.gz CECVXZWEVTXCDK-JSGCOSHPSA-N 1 2 267.369 2.163 10 0 CEAELO CC1=NN(c2c(C)cc(C)cc2C)C(=O)[C@H]1CC[NH3+] ZINC000069505781 520889775 /nfs/dbraw/zinc/88/97/75/520889775.db2.gz QYRBTJZRMYFGME-ZDUSSCGKSA-N 1 2 259.353 2.299 10 0 CEAELO CCCCSC[C@@]([NH2+]CC)(C(=O)OC)C1CC1 ZINC000069184200 520958209 /nfs/dbraw/zinc/95/82/09/520958209.db2.gz WXQFHCKMCDRODT-ZDUSSCGKSA-N 1 2 259.415 2.451 10 0 CEAELO CCOC(=O)[C@@H](CCOC1CCCCCC1)[NH2+]C ZINC000062541200 521059149 /nfs/dbraw/zinc/05/91/49/521059149.db2.gz HAGSQRKDEVQJOM-CYBMUJFWSA-N 1 2 257.374 2.267 10 0 CEAELO CCN(CC[C@@H]([NH2+]C(C)C)C(=O)OC)c1ccccc1 ZINC000062443905 521156245 /nfs/dbraw/zinc/15/62/45/521156245.db2.gz BQVFNTPPNNLIHA-OAHLLOKOSA-N 1 2 278.396 2.443 10 0 CEAELO CCOC(=O)[C@H](CCn1cc(-c2ccccc2)cn1)[NH2+]C ZINC000062538862 521249185 /nfs/dbraw/zinc/24/91/85/521249185.db2.gz OXKPREROTPSQHX-HNNXBMFYSA-N 1 2 287.363 2.091 10 0 CEAELO CCOC(=O)[C@H](CCSc1ccccn1)[NH2+]C(C)C ZINC000062599308 521249963 /nfs/dbraw/zinc/24/99/63/521249963.db2.gz UYRGOSSRMMHMAV-LBPRGKRZSA-N 1 2 282.409 2.494 10 0 CEAELO CCCc1[nH+]c(-c2ccccc2OCC)c(N)n1N ZINC000052839393 521465351 /nfs/dbraw/zinc/46/53/51/521465351.db2.gz FVOXAZXUYGUCND-UHFFFAOYSA-N 1 2 260.341 2.197 10 0 CEAELO CCCc1[nH+]c(-c2cc3c(c(Cl)c2)OCO3)c(N)n1N ZINC000052839425 521466614 /nfs/dbraw/zinc/46/66/14/521466614.db2.gz YXEABVQHZMQDOM-UHFFFAOYSA-N 1 2 294.742 2.181 10 0 CEAELO CCOc1ccccc1OCC[C@@H]([NH2+]C1CC1)C(=O)OC ZINC000062548155 521567294 /nfs/dbraw/zinc/56/72/94/521567294.db2.gz VXZXRALRATUIME-CYBMUJFWSA-N 1 2 293.363 2.148 10 0 CEAELO CC[C@@H](C)[NH+]1CCN(c2nsnc2Cl)CC1 ZINC000055084599 522137273 /nfs/dbraw/zinc/13/72/73/522137273.db2.gz KBSASJHGCDCZKL-MRVPVSSYSA-N 1 2 260.794 2.112 10 0 CEAELO CCc1[nH+]c(-c2cccc(C(F)(F)F)c2)c(N)n1N ZINC000052838800 522147083 /nfs/dbraw/zinc/14/70/83/522147083.db2.gz QFOQYLVJDKXHNO-UHFFFAOYSA-N 1 2 270.258 2.427 10 0 CEAELO COc1cc(C(=O)Nc2cc[nH+]cc2N)ccc1C ZINC000062725855 522160342 /nfs/dbraw/zinc/16/03/42/522160342.db2.gz XOWGZWCQIQTEHY-UHFFFAOYSA-N 1 2 257.293 2.233 10 0 CEAELO CC[C@@H](C)[C@@H]([NH2+][C@@H](C)Cc1ccco1)C(=O)OC ZINC000062771361 522316577 /nfs/dbraw/zinc/31/65/77/522316577.db2.gz QCYCSYHETVEPJD-NTZNESFSSA-N 1 2 253.342 2.388 10 0 CEAELO C[NH2+][C@@](CSC1CCCC1)(C(=O)OC)C1CC1 ZINC000069190581 522431309 /nfs/dbraw/zinc/43/13/09/522431309.db2.gz RWSCPCPXSSMDJF-CYBMUJFWSA-N 1 2 257.399 2.203 10 0 CEAELO C[NH2+][C@@](CSc1ccccc1OC)(C(=O)OC)C1CC1 ZINC000069188769 522433403 /nfs/dbraw/zinc/43/34/03/522433403.db2.gz XXYJWARLXPJJRR-OAHLLOKOSA-N 1 2 295.404 2.329 10 0 CEAELO C[NH2+][C@H](CCOc1cccc2ccccc21)C(=O)OC ZINC000062550526 522463364 /nfs/dbraw/zinc/46/33/64/522463364.db2.gz USBCWRJKAXKYGR-CQSZACIVSA-N 1 2 273.332 2.370 10 0 CEAELO CNc1cc(Cn2ccc(=O)c3ccccc32)cc[nH+]1 ZINC000052733940 522566942 /nfs/dbraw/zinc/56/69/42/522566942.db2.gz IXCPLJMFPOJTTG-UHFFFAOYSA-N 1 2 265.316 2.487 10 0 CEAELO CNc1nc2cc(OC)ccc2cc1C[NH+]1CCOCC1 ZINC000050792195 522687735 /nfs/dbraw/zinc/68/77/35/522687735.db2.gz FLFNMVHLXCPVHZ-UHFFFAOYSA-N 1 2 287.363 2.117 10 0 CEAELO CNc1[nH+]cnc2c1cnn2-c1ccc(C(F)(F)F)cn1 ZINC000062366786 522715782 /nfs/dbraw/zinc/71/57/82/522715782.db2.gz VGXJOCJORDIZAP-UHFFFAOYSA-N 1 2 294.240 2.271 10 0 CEAELO CC[C@@H]([NH2+]c1cc2c(cc1N)OCC(=O)N2)C(C)C ZINC000049128226 522955898 /nfs/dbraw/zinc/95/58/98/522955898.db2.gz CEKFFVWUKBXLBL-SNVBAGLBSA-N 1 2 263.341 2.446 10 0 CEAELO CCn1ccnc1[C@H]([NH2+]C)c1cc(F)ccc1F ZINC000069498984 523558712 /nfs/dbraw/zinc/55/87/12/523558712.db2.gz NWPFFZYEZDWZEZ-GFCCVEGCSA-N 1 2 251.280 2.490 10 0 CEAELO COC(=O)[C@](C)(Cn1nc(C)c(Cl)c1C)[NH2+]C(C)C ZINC000050588233 524001243 /nfs/dbraw/zinc/00/12/43/524001243.db2.gz HBANKLCABZFJRY-ZDUSSCGKSA-N 1 2 287.791 2.083 10 0 CEAELO COc1ccc(CN(C)c2cc[nH+]c(C(N)=S)c2)cc1 ZINC000061812761 524011532 /nfs/dbraw/zinc/01/15/32/524011532.db2.gz OMTNJCKAZGAYBI-UHFFFAOYSA-N 1 2 287.388 2.361 10 0 CEAELO C[NH+](C)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000062752114 524040317 /nfs/dbraw/zinc/04/03/17/524040317.db2.gz UPUIDXIVCPCGMN-UHFFFAOYSA-N 1 2 280.343 2.050 10 0 CEAELO Cc1ccc(C)c(C(=O)[C@H](C)[N@@H+](CC(N)=O)C(C)C)c1 ZINC000049138221 524088790 /nfs/dbraw/zinc/08/87/90/524088790.db2.gz OKRZVRYGWJRHOA-ZDUSSCGKSA-N 1 2 276.380 2.070 10 0 CEAELO Cc1ccc(C)c(C(=O)[C@H](C)[N@H+](CC(N)=O)C(C)C)c1 ZINC000049138221 524088793 /nfs/dbraw/zinc/08/87/93/524088793.db2.gz OKRZVRYGWJRHOA-ZDUSSCGKSA-N 1 2 276.380 2.070 10 0 CEAELO C[C@H](C[NH+]1CCCCC1)Nc1ccc([NH3+])cc1C(=O)[O-] ZINC000049503211 524336393 /nfs/dbraw/zinc/33/63/93/524336393.db2.gz WBDPUQKCEWFEHS-LLVKDONJSA-N 1 2 277.368 2.253 10 0 CEAELO Cc1cc(CO)ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000050560604 524794290 /nfs/dbraw/zinc/79/42/90/524794290.db2.gz RVSARLQRKXGMEG-UHFFFAOYSA-N 1 2 283.375 2.209 10 0 CEAELO COc1ncccc1-c1nnc([C@@H]([NH3+])c2ccccc2)o1 ZINC000061446865 525031024 /nfs/dbraw/zinc/03/10/24/525031024.db2.gz BFIGKVXMSNWLPG-LBPRGKRZSA-N 1 2 282.303 2.188 10 0 CEAELO COc1ccc([C@@H](C)O)cc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000055352282 525167652 /nfs/dbraw/zinc/16/76/52/525167652.db2.gz QPAFKLRQRONPQG-RWMBFGLXSA-N 1 2 279.380 2.358 10 0 CEAELO CSC[C@@H](C)CNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000069460508 525625298 /nfs/dbraw/zinc/62/52/98/525625298.db2.gz CIDYAISVDUJXDU-QMMMGPOBSA-N 1 2 298.803 2.122 10 0 CEAELO COc1ccc2cc(Cn3cc(C)cn3)c(N)[nH+]c2c1 ZINC000050829601 525634516 /nfs/dbraw/zinc/63/45/16/525634516.db2.gz QDWRCAAQHRMYQS-UHFFFAOYSA-N 1 2 268.320 2.379 10 0 CEAELO Cc1cc2[nH+]cn(C[C@@](C)([NH2+]C(C)C)C(=O)[O-])c2cc1C ZINC000045431148 525682345 /nfs/dbraw/zinc/68/23/45/525682345.db2.gz HVQUECQOHDACKE-MRXNPFEDSA-N 1 2 289.379 2.494 10 0 CEAELO Cc1cc2[nH+]cn(CCn3cc(N)cn3)c2cc1C ZINC000050614966 525683359 /nfs/dbraw/zinc/68/33/59/525683359.db2.gz FPFZFFQTVDHWBG-UHFFFAOYSA-N 1 2 255.325 2.132 10 0 CEAELO Cc1cc2[nH+]cn(CC[C@H]([NH2+]C(C)C)C(=O)[O-])c2cc1C ZINC000062534650 525683624 /nfs/dbraw/zinc/68/36/24/525683624.db2.gz PGEPDJFPBSEQAL-ZDUSSCGKSA-N 1 2 289.379 2.494 10 0 CEAELO Cc1csc([C@H]2C[N@H+](C[C@@H]3CCCO3)CCO2)n1 ZINC000157079187 526444307 /nfs/dbraw/zinc/44/43/07/526444307.db2.gz MZLXBCZCBWVPOJ-NWDGAFQWSA-N 1 2 268.382 2.004 10 0 CEAELO Cc1csc([C@H]2C[N@@H+](C[C@@H]3CCCO3)CCO2)n1 ZINC000157079187 526444314 /nfs/dbraw/zinc/44/43/14/526444314.db2.gz MZLXBCZCBWVPOJ-NWDGAFQWSA-N 1 2 268.382 2.004 10 0 CEAELO c1[nH]c(CNc2cnc(-c3ccccc3)nc2)c[nH+]1 ZINC000054764725 526613083 /nfs/dbraw/zinc/61/30/83/526613083.db2.gz 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539258634 /nfs/dbraw/zinc/25/86/34/539258634.db2.gz RZGKKGOGUPZXJM-LLVKDONJSA-N 1 2 261.369 2.272 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CCCCC1)CC2 ZINC000220584221 539258635 /nfs/dbraw/zinc/25/86/35/539258635.db2.gz RZGKKGOGUPZXJM-LLVKDONJSA-N 1 2 261.369 2.272 10 0 CEAELO CC(C)(C)OC(=O)C[NH2+]CCc1cccc(F)c1 ZINC000037394453 343427238 /nfs/dbraw/zinc/42/72/38/343427238.db2.gz CRLWRXPFJXOTHE-UHFFFAOYSA-N 1 2 253.317 2.300 10 0 CEAELO CCOC(=O)c1ccc(OCCn2cc[nH+]c2)cc1 ZINC000039320241 343436176 /nfs/dbraw/zinc/43/61/76/343436176.db2.gz VTSZVPGBLDUJKV-UHFFFAOYSA-N 1 2 260.293 2.139 10 0 CEAELO [NH3+][C@@H](c1nnc(-c2ccncc2F)o1)c1ccccc1 ZINC000083516723 178549046 /nfs/dbraw/zinc/54/90/46/178549046.db2.gz CFGMNMBVBIZKRB-GFCCVEGCSA-N 1 2 270.267 2.319 10 0 CEAELO C[C@@H](CCC(C)(C)C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000131426193 344357800 /nfs/dbraw/zinc/35/78/00/344357800.db2.gz LOMNRZOHQZGMOJ-KBPBESRZSA-N 1 2 299.459 2.221 10 0 CEAELO C[C@@H](CCO)[NH2+]c1ccc(N)cc1Br ZINC000132317717 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CC[NH2+][C@@](CO[C@H](C)C(F)(F)F)(C(=O)OCC)C1CC1 ZINC000090674371 180021585 /nfs/dbraw/zinc/02/15/85/180021585.db2.gz VUBUXKSBJKNXDW-BXKDBHETSA-N 1 2 297.317 2.275 10 0 CEAELO COC(=O)[C@](CO[C@H](C)C(F)(F)F)([NH2+]C(C)C)C1CC1 ZINC000090674447 180021687 /nfs/dbraw/zinc/02/16/87/180021687.db2.gz YINBJPJPHUNCBL-BXKDBHETSA-N 1 2 297.317 2.274 10 0 CEAELO COC(=O)c1cc(NCC2(O)CCCCCC2)cc[nH+]1 ZINC000090738544 180034768 /nfs/dbraw/zinc/03/47/68/180034768.db2.gz FDEZOTJJIROPON-UHFFFAOYSA-N 1 2 278.352 2.365 10 0 CEAELO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874469 180049901 /nfs/dbraw/zinc/04/99/01/180049901.db2.gz SCTSVWKIJZZFAC-UONOGXRCSA-N 1 2 277.364 2.167 10 0 CEAELO Nc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905491 180059996 /nfs/dbraw/zinc/05/99/96/180059996.db2.gz IEZJUARDPWYYCV-AOOOYVTPSA-N 1 2 252.745 2.285 10 0 CEAELO Nc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905491 180059997 /nfs/dbraw/zinc/05/99/97/180059997.db2.gz IEZJUARDPWYYCV-AOOOYVTPSA-N 1 2 252.745 2.285 10 0 CEAELO OCc1cn(Cc2[nH+]ccn2C(F)F)c2ncccc12 ZINC000091018037 180086892 /nfs/dbraw/zinc/08/68/92/180086892.db2.gz MCZSMPPEABBOJR-UHFFFAOYSA-N 1 2 278.262 2.169 10 0 CEAELO CC[C@@H](C)[C@@H]([NH2+]Cc1cccn1CC)C(=O)OC ZINC000091024771 180089517 /nfs/dbraw/zinc/08/95/17/180089517.db2.gz PUSYKHREKBPPCT-DGCLKSJQSA-N 1 2 252.358 2.185 10 0 CEAELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1nc2ccccc2n1C ZINC000091368577 180143380 /nfs/dbraw/zinc/14/33/80/180143380.db2.gz MFINFKHLRSQCQU-DGCLKSJQSA-N 1 2 296.378 2.351 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)S[C@@H](C)CCO)C(=O)OCC ZINC000091267329 180117340 /nfs/dbraw/zinc/11/73/40/180117340.db2.gz QRWHATZLPWAPMK-SGMGOOAPSA-N 1 2 291.457 2.200 10 0 CEAELO CCOC(=O)[C@@H](C(C)C)[C@H](O)c1c[nH+]cn1C(C)C ZINC000091273915 180117990 /nfs/dbraw/zinc/11/79/90/180117990.db2.gz JYIKQIBYBFXEPS-QWHCGFSZSA-N 1 2 268.357 2.333 10 0 CEAELO O=c1[nH]c2cc(NCc3c[nH+]cn3C3CC3)ccc2o1 ZINC000091275198 180118496 /nfs/dbraw/zinc/11/84/96/180118496.db2.gz HROAKYSKHJOWSO-UHFFFAOYSA-N 1 2 270.292 2.265 10 0 CEAELO Cc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(Cl)c1C ZINC000091687530 180226175 /nfs/dbraw/zinc/22/61/75/180226175.db2.gz GLZJHLBUCWVPEF-GHMZBOCLSA-N 1 2 267.760 2.283 10 0 CEAELO Cc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)nc(Cl)c1C ZINC000091687530 180226177 /nfs/dbraw/zinc/22/61/77/180226177.db2.gz GLZJHLBUCWVPEF-GHMZBOCLSA-N 1 2 267.760 2.283 10 0 CEAELO C[N@@H+]1CCO[C@@H](C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000091688590 180226963 /nfs/dbraw/zinc/22/69/63/180226963.db2.gz YUYFKASONXPPLE-WMLDXEAASA-N 1 2 273.376 2.396 10 0 CEAELO C[N@H+]1CCO[C@@H](C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000091688590 180226966 /nfs/dbraw/zinc/22/69/66/180226966.db2.gz YUYFKASONXPPLE-WMLDXEAASA-N 1 2 273.376 2.396 10 0 CEAELO C[C@@H](c1ncnn1-c1ccc(F)cc1F)n1cc[nH+]c1 ZINC000091745442 180244463 /nfs/dbraw/zinc/24/44/63/180244463.db2.gz RKEDJDIOCNSHBP-VIFPVBQESA-N 1 2 275.262 2.351 10 0 CEAELO C[N@@H+]1CCO[C@@H](c2noc(-c3cc(Cl)ccc3O)n2)C1 ZINC000091747833 180245473 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/nfs/dbraw/zinc/34/94/33/186349433.db2.gz OWBZXTACAVLERJ-LLVKDONJSA-N 1 2 250.342 2.019 10 0 CEAELO Cc1c[nH+]ccc1NC(=O)[C@@H]1CNc2ccccc2O1 ZINC000111043702 186347730 /nfs/dbraw/zinc/34/77/30/186347730.db2.gz DWVRNBOQDTXEIQ-AWEZNQCLSA-N 1 2 269.304 2.202 10 0 CEAELO C[C@@H]1C[NH+](CC(=O)NCCC2=CCCCC2)C[C@@H](C)O1 ZINC000069537185 362978369 /nfs/dbraw/zinc/97/83/69/362978369.db2.gz GKZZOHMRVXLNQJ-ZIAGYGMSSA-N 1 2 280.412 2.102 10 0 CEAELO Cc1ccc(C(N)=S)c([N@H+](C)C[C@H]2CCCOC2)c1 ZINC000111178350 186364958 /nfs/dbraw/zinc/36/49/58/186364958.db2.gz KAFPBCNFBWRMMX-GFCCVEGCSA-N 1 2 278.421 2.492 10 0 CEAELO Cc1ccc(C(N)=S)c([N@@H+](C)C[C@H]2CCCOC2)c1 ZINC000111178350 186364960 /nfs/dbraw/zinc/36/49/60/186364960.db2.gz KAFPBCNFBWRMMX-GFCCVEGCSA-N 1 2 278.421 2.492 10 0 CEAELO Cc1nn(C)c(Nc2ccc([NH+](C)C)cc2)c1C(N)=S ZINC000111352082 186404541 /nfs/dbraw/zinc/40/45/41/186404541.db2.gz SWSBABWSTKFSDJ-UHFFFAOYSA-N 1 2 289.408 2.172 10 0 CEAELO CCCc1c(Cl)ncnc1NCCn1cc[nH+]c1 ZINC000111297324 186391731 /nfs/dbraw/zinc/39/17/31/186391731.db2.gz FNLMDZPQHNYBNE-UHFFFAOYSA-N 1 2 265.748 2.391 10 0 CEAELO CCCC1=NN(c2cccc(C)c2)C(=O)[C@@H]1CC[NH3+] ZINC000111998710 186466732 /nfs/dbraw/zinc/46/67/32/186466732.db2.gz ZWOWRLFLMJRNHC-CYBMUJFWSA-N 1 2 259.353 2.463 10 0 CEAELO Cc1cc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)ccc1F ZINC000122225895 187022212 /nfs/dbraw/zinc/02/22/12/187022212.db2.gz KGDDXEBKTNJAIF-HNNXBMFYSA-N 1 2 289.354 2.232 10 0 CEAELO Cc1cc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)ccc1F ZINC000122225895 187022213 /nfs/dbraw/zinc/02/22/13/187022213.db2.gz KGDDXEBKTNJAIF-HNNXBMFYSA-N 1 2 289.354 2.232 10 0 CEAELO CC(C)c1nc([C@H]2CCCN2CCn2cc[nH+]c2)no1 ZINC000122624818 187041759 /nfs/dbraw/zinc/04/17/59/187041759.db2.gz DWLKMSPGIZQQTF-GFCCVEGCSA-N 1 2 275.356 2.227 10 0 CEAELO CNc1nc(N2CCC[C@@H]2C)[nH+]cc1Br ZINC000133037565 366190250 /nfs/dbraw/zinc/19/02/50/366190250.db2.gz FKCBZFDBCAUKCR-ZETCQYMHSA-N 1 2 271.162 2.270 10 0 CEAELO O=C(Cc1ccccc1Cl)N1CCn2cc[nH+]c2C1 ZINC000074785214 363391725 /nfs/dbraw/zinc/39/17/25/363391725.db2.gz JNOXQSGVNABWKI-UHFFFAOYSA-N 1 2 275.739 2.121 10 0 CEAELO CCc1ccc([C@H](C)Nc2nc(C)[nH+]c(N)n2)cc1 ZINC000197839542 540227391 /nfs/dbraw/zinc/22/73/91/540227391.db2.gz BZKJXMCVMXQMAA-VIFPVBQESA-N 1 2 257.341 2.498 10 0 CEAELO CCc1ccc([C@H](C)Nc2nc(N)nc(C)[nH+]2)cc1 ZINC000197839542 540227394 /nfs/dbraw/zinc/22/73/94/540227394.db2.gz BZKJXMCVMXQMAA-VIFPVBQESA-N 1 2 257.341 2.498 10 0 CEAELO C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)Nc1ccccc1Cl ZINC000336236334 213066182 /nfs/dbraw/zinc/06/61/82/213066182.db2.gz DRPSVJWRKOJKFM-GWCFXTLKSA-N 1 2 282.771 2.124 10 0 CEAELO C[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)Nc1ccccc1Cl ZINC000336236334 213066183 /nfs/dbraw/zinc/06/61/83/213066183.db2.gz DRPSVJWRKOJKFM-GWCFXTLKSA-N 1 2 282.771 2.124 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)c1ccccc1C ZINC000081532609 363727321 /nfs/dbraw/zinc/72/73/21/363727321.db2.gz UYCKNZOXSBLUNY-UHFFFAOYSA-N 1 2 264.350 2.185 10 0 CEAELO CC(C)c1nnc(C[N@H+](C)CCc2nccs2)n1C ZINC000179071071 189166500 /nfs/dbraw/zinc/16/65/00/189166500.db2.gz POLVUDOAVIMQJJ-UHFFFAOYSA-N 1 2 279.413 2.070 10 0 CEAELO CC(C)c1nnc(C[N@@H+](C)CCc2nccs2)n1C ZINC000179071071 189166501 /nfs/dbraw/zinc/16/65/01/189166501.db2.gz POLVUDOAVIMQJJ-UHFFFAOYSA-N 1 2 279.413 2.070 10 0 CEAELO CN1c2ccccc2[C@H](c2ccccc2)[NH2+]CC1=O ZINC000084590252 363815873 /nfs/dbraw/zinc/81/58/73/363815873.db2.gz QMZATPDNVWNTGO-INIZCTEOSA-N 1 2 252.317 2.342 10 0 CEAELO Cn1cccc1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000092831963 364112039 /nfs/dbraw/zinc/11/20/39/364112039.db2.gz UZBACPPRKNFDAI-LBPRGKRZSA-N 1 2 263.366 2.055 10 0 CEAELO Cn1cccc1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000092831963 364112042 /nfs/dbraw/zinc/11/20/42/364112042.db2.gz UZBACPPRKNFDAI-LBPRGKRZSA-N 1 2 263.366 2.055 10 0 CEAELO Cc1cccnc1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000093173239 364149452 /nfs/dbraw/zinc/14/94/52/364149452.db2.gz IILURJKXCPOHJV-CYBMUJFWSA-N 1 2 275.377 2.420 10 0 CEAELO Cc1cccnc1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000093173239 364149460 /nfs/dbraw/zinc/14/94/60/364149460.db2.gz IILURJKXCPOHJV-CYBMUJFWSA-N 1 2 275.377 2.420 10 0 CEAELO Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1Cl ZINC000103068696 364625576 /nfs/dbraw/zinc/62/55/76/364625576.db2.gz WXGRMIAGGYYLCB-GFCCVEGCSA-N 1 2 296.798 2.099 10 0 CEAELO CCC[N@H+](CC(F)F)C[C@H](O)COC(C)(C)C ZINC000101731751 364572399 /nfs/dbraw/zinc/57/23/99/364572399.db2.gz WCBGBNZNNPQDBW-JTQLQIEISA-N 1 2 253.333 2.140 10 0 CEAELO CCC[N@@H+](CC(F)F)C[C@H](O)COC(C)(C)C ZINC000101731751 364572412 /nfs/dbraw/zinc/57/24/12/364572412.db2.gz WCBGBNZNNPQDBW-JTQLQIEISA-N 1 2 253.333 2.140 10 0 CEAELO CC[C@@H](CC1CCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000114321942 364936649 /nfs/dbraw/zinc/93/66/49/364936649.db2.gz FFINUCHJWDVORU-LSDHHAIUSA-N 1 2 282.428 2.040 10 0 CEAELO CC[C@@H](CC1CCCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000114321942 364936653 /nfs/dbraw/zinc/93/66/53/364936653.db2.gz FFINUCHJWDVORU-LSDHHAIUSA-N 1 2 282.428 2.040 10 0 CEAELO CCOCC[N@@H+]1CCN(C(=O)c2sccc2C)C[C@H]1C ZINC000117277923 365101632 /nfs/dbraw/zinc/10/16/32/365101632.db2.gz SIWBZLFDJCNEOH-CYBMUJFWSA-N 1 2 296.436 2.239 10 0 CEAELO CCOCC[N@H+]1CCN(C(=O)c2sccc2C)C[C@H]1C ZINC000117277923 365101635 /nfs/dbraw/zinc/10/16/35/365101635.db2.gz SIWBZLFDJCNEOH-CYBMUJFWSA-N 1 2 296.436 2.239 10 0 CEAELO CC(C)CN(CC(C)C)C(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000120926115 365496629 /nfs/dbraw/zinc/49/66/29/365496629.db2.gz BZBBBPWCQGDBTH-HUUCEWRRSA-N 1 2 284.444 2.236 10 0 CEAELO CC[C@@H]1C[C@@H]1Nc1nc(NC)c(Br)c[nH+]1 ZINC000302534271 201473832 /nfs/dbraw/zinc/47/38/32/201473832.db2.gz MCGOLFODPZLTBY-SVRRBLITSA-N 1 2 271.162 2.491 10 0 CEAELO C[C@@H]([NH2+]Cc1nnnn1C)c1ccc(Cl)c(Cl)c1 ZINC000341071966 367158794 /nfs/dbraw/zinc/15/87/94/367158794.db2.gz SUSHRIVGXDHSLX-SSDOTTSWSA-N 1 2 286.166 2.368 10 0 CEAELO COc1cccc([C@@H](C)[NH2+]Cc2nnnn2C(C)C)c1 ZINC000341230176 367234384 /nfs/dbraw/zinc/23/43/84/367234384.db2.gz RFHVSISPNURPPI-LLVKDONJSA-N 1 2 275.356 2.113 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000170652028 367391082 /nfs/dbraw/zinc/39/10/82/367391082.db2.gz ISSQAJJKKCYFPQ-LLVKDONJSA-N 1 2 267.398 2.024 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000170652028 367391090 /nfs/dbraw/zinc/39/10/90/367391090.db2.gz ISSQAJJKKCYFPQ-LLVKDONJSA-N 1 2 267.398 2.024 10 0 CEAELO CCOCCN1CC[N@H+](Cc2ccc(C)o2)C[C@H]1C ZINC000245712070 370862275 /nfs/dbraw/zinc/86/22/75/370862275.db2.gz GEYPPLZLGZGBTA-CYBMUJFWSA-N 1 2 266.385 2.131 10 0 CEAELO CCOCCN1CC[N@@H+](Cc2ccc(C)o2)C[C@H]1C ZINC000245712070 370862280 /nfs/dbraw/zinc/86/22/80/370862280.db2.gz GEYPPLZLGZGBTA-CYBMUJFWSA-N 1 2 266.385 2.131 10 0 CEAELO CCOC(=O)[C@H](CC)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000173705609 367935480 /nfs/dbraw/zinc/93/54/80/367935480.db2.gz QCRUHLXWCKCWBE-ZDUSSCGKSA-N 1 2 293.411 2.243 10 0 CEAELO CCc1nnc(C[NH2+]C2(c3cccc(F)c3)CC2)n1C ZINC000179681693 368346336 /nfs/dbraw/zinc/34/63/36/368346336.db2.gz CRCROPSDFOLSLN-UHFFFAOYSA-N 1 2 274.343 2.296 10 0 CEAELO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246303558 370944085 /nfs/dbraw/zinc/94/40/85/370944085.db2.gz CKCVCRVDLKVAFI-OCCSQVGLSA-N 1 2 278.400 2.097 10 0 CEAELO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246303558 370944089 /nfs/dbraw/zinc/94/40/89/370944089.db2.gz CKCVCRVDLKVAFI-OCCSQVGLSA-N 1 2 278.400 2.097 10 0 CEAELO CCn1c(C)nnc1C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000174331719 261184305 /nfs/dbraw/zinc/18/43/05/261184305.db2.gz COMGDVQQWLOEEZ-LBPRGKRZSA-N 1 2 268.430 2.180 10 0 CEAELO CCn1c(C)nnc1C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000174331719 261184306 /nfs/dbraw/zinc/18/43/06/261184306.db2.gz COMGDVQQWLOEEZ-LBPRGKRZSA-N 1 2 268.430 2.180 10 0 CEAELO C[C@@H]1C[N@H+](Cc2cc(Br)no2)CCS1 ZINC000276496315 193355990 /nfs/dbraw/zinc/35/59/90/193355990.db2.gz BNUKQOKIPGNZEC-SSDOTTSWSA-N 1 2 277.187 2.374 10 0 CEAELO C[C@@H]1C[N@@H+](Cc2cc(Br)no2)CCS1 ZINC000276496315 193355991 /nfs/dbraw/zinc/35/59/91/193355991.db2.gz BNUKQOKIPGNZEC-SSDOTTSWSA-N 1 2 277.187 2.374 10 0 CEAELO CC(C)CC(=O)Nc1c[nH+]c(N2CCCC2)nc1N(C)C ZINC000224350496 370278889 /nfs/dbraw/zinc/27/88/89/370278889.db2.gz MHKIEQHRMAIBKL-UHFFFAOYSA-N 1 2 291.399 2.127 10 0 CEAELO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248612925 371221857 /nfs/dbraw/zinc/22/18/57/371221857.db2.gz WPMSYXBHOLPPDT-RBSFLKMASA-N 1 2 296.455 2.286 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000249054297 371287273 /nfs/dbraw/zinc/28/72/73/371287273.db2.gz INVPOIXMJIGIEK-IJLUTSLNSA-N 1 2 257.374 2.216 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000249054297 371287278 /nfs/dbraw/zinc/28/72/78/371287278.db2.gz INVPOIXMJIGIEK-IJLUTSLNSA-N 1 2 257.374 2.216 10 0 CEAELO CO[C@H]1C[C@H](CO)[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000344158985 217078634 /nfs/dbraw/zinc/07/86/34/217078634.db2.gz YLZLWXDQXDOSHK-NEPJUHHUSA-N 1 2 284.425 2.022 10 0 CEAELO CO[C@H]1C[C@H](CO)[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000344158985 217078639 /nfs/dbraw/zinc/07/86/39/217078639.db2.gz YLZLWXDQXDOSHK-NEPJUHHUSA-N 1 2 284.425 2.022 10 0 CEAELO c1ncn(C[C@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000270588642 372855815 /nfs/dbraw/zinc/85/58/15/372855815.db2.gz RZFHDSNUCREUNI-LBPRGKRZSA-N 1 2 282.351 2.071 10 0 CEAELO FC(F)(F)c1ccc(N2CCC[C@H]2Cn2cc[nH+]c2)nn1 ZINC000271206075 373181950 /nfs/dbraw/zinc/18/19/50/373181950.db2.gz RCATUMOWOGHAFE-JTQLQIEISA-N 1 2 297.284 2.361 10 0 CEAELO Ic1cc[nH+]c2c1CCCCN2 ZINC000095774402 294779290 /nfs/dbraw/zinc/77/92/90/294779290.db2.gz LRSHBEWVGWXBQA-UHFFFAOYSA-N 1 2 274.105 2.434 10 0 CEAELO CCc1cc(N2CCC[C@@H]2Cn2ccnc2)nc(C)[nH+]1 ZINC000272808013 373665650 /nfs/dbraw/zinc/66/56/50/373665650.db2.gz BYBDUJMEOOYXOI-CQSZACIVSA-N 1 2 271.368 2.213 10 0 CEAELO CCc1nnc(C[NH2+][C@@H](C)c2cc(F)ccc2F)[nH]1 ZINC000274585575 373973372 /nfs/dbraw/zinc/97/33/72/373973372.db2.gz INGRIDSTFIIKIL-QMMMGPOBSA-N 1 2 266.295 2.496 10 0 CEAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)o1 ZINC000312533698 376719988 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ZINC000093035105 184643948 /nfs/dbraw/zinc/64/39/48/184643948.db2.gz BRRDQQSTPXMEJU-WDEREUQCSA-N 1 2 261.321 2.215 10 0 CEAELO C[C@@H]1[C@H](C)C(=O)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000093035105 184643949 /nfs/dbraw/zinc/64/39/49/184643949.db2.gz BRRDQQSTPXMEJU-WDEREUQCSA-N 1 2 261.321 2.215 10 0 CEAELO CCCCN(CC[C@@H]([NH2+]C)C(=O)OC)c1ccccc1 ZINC000081584030 177825128 /nfs/dbraw/zinc/82/51/28/177825128.db2.gz OTHUTEBKTSPJFO-OAHLLOKOSA-N 1 2 278.396 2.444 10 0 CEAELO CC[NH2+][C@@]1(C(=O)OCC)CC[C@H](OCC(F)(F)F)C1 ZINC000093836540 184730791 /nfs/dbraw/zinc/73/07/91/184730791.db2.gz NJJUWORVWPFTQU-ONGXEEELSA-N 1 2 283.290 2.029 10 0 CEAELO CC[N@@H+]1CCO[C@@H](C(=O)Cc2c(F)cccc2Cl)C1 ZINC000093897925 184740876 /nfs/dbraw/zinc/74/08/76/184740876.db2.gz ICIRTXOXWISWFA-CQSZACIVSA-N 1 2 285.746 2.311 10 0 CEAELO CC[N@H+]1CCO[C@@H](C(=O)Cc2c(F)cccc2Cl)C1 ZINC000093897925 184740877 /nfs/dbraw/zinc/74/08/77/184740877.db2.gz ICIRTXOXWISWFA-CQSZACIVSA-N 1 2 285.746 2.311 10 0 CEAELO COC(=O)[C@](C)(CCSc1ccncc1)[NH2+]C1CC1 ZINC000094615176 184826288 /nfs/dbraw/zinc/82/62/88/184826288.db2.gz ZQYCIHYAHCBVHD-AWEZNQCLSA-N 1 2 280.393 2.248 10 0 CEAELO Cc1c[nH+]c2c(c1)NC(=O)[C@H]1c3ccccc3CCN21 ZINC000092573884 135076739 /nfs/dbraw/zinc/07/67/39/135076739.db2.gz RIZPNARXIQZOEK-CQSZACIVSA-N 1 2 265.316 2.446 10 0 CEAELO Cc1cc[nH+]c2c1NC(=O)[C@@H]1c3ccccc3CCN21 ZINC000092555383 135077025 /nfs/dbraw/zinc/07/70/25/135077025.db2.gz BWGGFRUVLXHASP-AWEZNQCLSA-N 1 2 265.316 2.446 10 0 CEAELO Clc1cnc(Cl)nc1N1CCn2cc[nH+]c2C1 ZINC000093800162 135082911 /nfs/dbraw/zinc/08/29/11/135082911.db2.gz YHSFLLXWWQMXMS-UHFFFAOYSA-N 1 2 270.123 2.000 10 0 CEAELO C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@H]1CCCC1=O ZINC000306789648 394517835 /nfs/dbraw/zinc/51/78/35/394517835.db2.gz UCWQXVFXCCHQGS-HOCLYGCPSA-N 1 2 272.392 2.314 10 0 CEAELO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@H]1CCCC1=O ZINC000306789648 394517839 /nfs/dbraw/zinc/51/78/39/394517839.db2.gz UCWQXVFXCCHQGS-HOCLYGCPSA-N 1 2 272.392 2.314 10 0 CEAELO Cc1ccc(-c2noc([C@H]3[NH2+]CCO[C@@H]3C)n2)cc1 ZINC000263138946 394627300 /nfs/dbraw/zinc/62/73/00/394627300.db2.gz CFLIEQBWSUTMKP-PWSUYJOCSA-N 1 2 259.309 2.094 10 0 CEAELO CCCCOC[C@@H](O)C[N@H+](C)Cc1ncc(CC)s1 ZINC000195180861 395461622 /nfs/dbraw/zinc/46/16/22/395461622.db2.gz ONUGTOAILONLRO-LBPRGKRZSA-N 1 2 286.441 2.315 10 0 CEAELO CCCCOC[C@@H](O)C[N@@H+](C)Cc1ncc(CC)s1 ZINC000195180861 395461624 /nfs/dbraw/zinc/46/16/24/395461624.db2.gz ONUGTOAILONLRO-LBPRGKRZSA-N 1 2 286.441 2.315 10 0 CEAELO CCn1cc([C@H]2C[N@H+](CCOCCC(C)C)CCO2)cn1 ZINC000190764565 153142653 /nfs/dbraw/zinc/14/26/53/153142653.db2.gz BLTLLWIKGLEVGM-MRXNPFEDSA-N 1 2 295.427 2.339 10 0 CEAELO CCn1cc([C@H]2C[N@@H+](CCOCCC(C)C)CCO2)cn1 ZINC000190764565 153142656 /nfs/dbraw/zinc/14/26/56/153142656.db2.gz BLTLLWIKGLEVGM-MRXNPFEDSA-N 1 2 295.427 2.339 10 0 CEAELO CCc1nnc(C[N@H+](CCOC)Cc2ccccc2)n1C ZINC000195016113 153273040 /nfs/dbraw/zinc/27/30/40/153273040.db2.gz IIXFRWHSQPOMBS-UHFFFAOYSA-N 1 2 288.395 2.026 10 0 CEAELO CCc1nnc(C[N@@H+](CCOC)Cc2ccccc2)n1C ZINC000195016113 153273047 /nfs/dbraw/zinc/27/30/47/153273047.db2.gz IIXFRWHSQPOMBS-UHFFFAOYSA-N 1 2 288.395 2.026 10 0 CEAELO Cn1nccc1C1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000195504043 153294538 /nfs/dbraw/zinc/29/45/38/153294538.db2.gz UXYKBLJHAUFFJQ-UHFFFAOYSA-N 1 2 287.367 2.060 10 0 CEAELO COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263085621 154014894 /nfs/dbraw/zinc/01/48/94/154014894.db2.gz XWDJXXVOUZZJLW-CMPLNLGQSA-N 1 2 298.333 2.178 10 0 CEAELO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263115128 154021669 /nfs/dbraw/zinc/02/16/69/154021669.db2.gz ANORCHJRJCTSGF-BNOWGMLFSA-N 1 2 294.345 2.388 10 0 CEAELO C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2nccc3ccccc32)no1 ZINC000263275226 154048422 /nfs/dbraw/zinc/04/84/22/154048422.db2.gz STVKHDSMTCPUTK-MFKMUULPSA-N 1 2 296.330 2.334 10 0 CEAELO NC(=O)[C@@H]([NH2+][C@@H]1COc2ccccc21)c1ccc(F)cc1 ZINC000171121498 162381013 /nfs/dbraw/zinc/38/10/13/162381013.db2.gz FCQFIEHJVCTNHB-HIFRSBDPSA-N 1 2 286.306 2.075 10 0 CEAELO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C)n2CC)C1(C)C ZINC000172666290 165063038 /nfs/dbraw/zinc/06/30/38/165063038.db2.gz LGPJCWQNIMSDFT-OLZOCXBDSA-N 1 2 280.416 2.242 10 0 CEAELO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C)n2CC)C1(C)C ZINC000172666290 165063040 /nfs/dbraw/zinc/06/30/40/165063040.db2.gz LGPJCWQNIMSDFT-OLZOCXBDSA-N 1 2 280.416 2.242 10 0 CEAELO C[C@@H](NC(=O)c1cnn(C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173949706 165092037 /nfs/dbraw/zinc/09/20/37/165092037.db2.gz ZUXYQVMHQAXUFR-GFCCVEGCSA-N 1 2 295.346 2.097 10 0 CEAELO CCc1nnc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)n1C ZINC000174478697 165107723 /nfs/dbraw/zinc/10/77/23/165107723.db2.gz QBDVXTGZMGPGCD-IAQYHMDHSA-N 1 2 280.416 2.013 10 0 CEAELO CCc1nnc(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)n1C ZINC000174478697 165107725 /nfs/dbraw/zinc/10/77/25/165107725.db2.gz QBDVXTGZMGPGCD-IAQYHMDHSA-N 1 2 280.416 2.013 10 0 CEAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccoc1 ZINC000178494169 165245604 /nfs/dbraw/zinc/24/56/04/165245604.db2.gz RDZOVYDREVFEIM-ZYHUDNBSSA-N 1 2 276.340 2.203 10 0 CEAELO Cc1nnc([C@H]2C[N@H+](Cc3ccc(F)c(C)c3)CCO2)[nH]1 ZINC000180110513 165296416 /nfs/dbraw/zinc/29/64/16/165296416.db2.gz UVURTIOQAVVHFA-CQSZACIVSA-N 1 2 290.342 2.134 10 0 CEAELO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(F)c(C)c3)CCO2)[nH]1 ZINC000180110513 165296422 /nfs/dbraw/zinc/29/64/22/165296422.db2.gz UVURTIOQAVVHFA-CQSZACIVSA-N 1 2 290.342 2.134 10 0 CEAELO Cc1cc(N)ccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022152675 171359592 /nfs/dbraw/zinc/35/95/92/171359592.db2.gz XWVYJUCZBJKUGB-XQQFMLRXSA-N 1 2 291.395 2.013 10 0 CEAELO Cc1cc(N)ccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022152675 171359593 /nfs/dbraw/zinc/35/95/93/171359593.db2.gz XWVYJUCZBJKUGB-XQQFMLRXSA-N 1 2 291.395 2.013 10 0 CEAELO COC(=O)C[C@@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000035747745 172395563 /nfs/dbraw/zinc/39/55/63/172395563.db2.gz YYQSKAKNGZSGLD-SECBINFHSA-N 1 2 253.298 2.067 10 0 CEAELO C[C@H]1CCC[N@H+](CC(=O)c2cc(F)ccc2O)C1 ZINC000037332611 173133775 /nfs/dbraw/zinc/13/37/75/173133775.db2.gz OFCPAZOEMABAGY-JTQLQIEISA-N 1 2 251.301 2.446 10 0 CEAELO C[C@H]1CCC[N@@H+](CC(=O)c2cc(F)ccc2O)C1 ZINC000037332611 173133776 /nfs/dbraw/zinc/13/37/76/173133776.db2.gz OFCPAZOEMABAGY-JTQLQIEISA-N 1 2 251.301 2.446 10 0 CEAELO COC1CC[NH+](CC(=O)c2ccc(F)cc2F)CC1 ZINC000037337360 173138255 /nfs/dbraw/zinc/13/82/55/173138255.db2.gz ZTSWKUDPXDHDGN-UHFFFAOYSA-N 1 2 269.291 2.258 10 0 CEAELO CC[NH2+][C@](CC)(C(=O)OCC)c1ccc(OC)cc1 ZINC000037447128 173214375 /nfs/dbraw/zinc/21/43/75/173214375.db2.gz MPSGEMRRBMJKKL-HNNXBMFYSA-N 1 2 265.353 2.473 10 0 CEAELO CCOC(=O)[C@]1([NH2+]C(C)C)CCc2ccccc2C1 ZINC000037515810 173247648 /nfs/dbraw/zinc/24/76/48/173247648.db2.gz HOJGFDIECJGWPC-INIZCTEOSA-N 1 2 261.365 2.475 10 0 CEAELO CC[C@@H](C)[NH2+][C@@](C)(C(=O)OC)c1ccc(OC)cc1 ZINC000038067034 174078103 /nfs/dbraw/zinc/07/81/03/174078103.db2.gz QFABQDICNQWJMN-IAQYHMDHSA-N 1 2 265.353 2.472 10 0 CEAELO CC[C@H](C)[NH2+][C@](C)(C(=O)OC)c1ccc(OC)cc1 ZINC000038067033 174078351 /nfs/dbraw/zinc/07/83/51/174078351.db2.gz QFABQDICNQWJMN-NHYWBVRUSA-N 1 2 265.353 2.472 10 0 CEAELO OCCCc1[nH+]c2ccccc2n1C[C@@H]1CCCO1 ZINC000040390163 174252259 /nfs/dbraw/zinc/25/22/59/174252259.db2.gz KFZCMWVXZLPPLC-LBPRGKRZSA-N 1 2 260.337 2.140 10 0 CEAELO Cc1ccc(Nc2[nH+]cnc(N(C)C)c2N)c(C)c1 ZINC000040723450 174385780 /nfs/dbraw/zinc/38/57/80/174385780.db2.gz KYEOAVMTWWKZPP-UHFFFAOYSA-N 1 2 257.341 2.485 10 0 CEAELO CN(C)c1[nH+]cnc(Nc2ccc(F)cc2F)c1N ZINC000040723618 174386188 /nfs/dbraw/zinc/38/61/88/174386188.db2.gz KVNUPRCUDYYRGF-UHFFFAOYSA-N 1 2 265.267 2.147 10 0 CEAELO CN(C)C(=O)CC[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000044988816 175285590 /nfs/dbraw/zinc/28/55/90/175285590.db2.gz KDSYLEMIWHFNTE-UHFFFAOYSA-N 1 2 275.274 2.178 10 0 CEAELO COC(=O)[C@](C)(CCN1CCc2ccccc21)[NH2+]C(C)C ZINC000045224351 175332159 /nfs/dbraw/zinc/33/21/59/175332159.db2.gz YPKKDBMSLABBRJ-KRWDZBQOSA-N 1 2 290.407 2.369 10 0 CEAELO COC(=O)[C@](C)(CCN1CCc2ccccc21)[NH2+]C1CC1 ZINC000045224362 175332230 /nfs/dbraw/zinc/33/22/30/175332230.db2.gz BYHXARHEJPKENA-KRWDZBQOSA-N 1 2 288.391 2.123 10 0 CEAELO CC[NH2+][C@](C)(CN(C)c1ccccc1)C(=O)OCC ZINC000045227585 175333630 /nfs/dbraw/zinc/33/36/30/175333630.db2.gz VDJIEDUCIPGEHW-OAHLLOKOSA-N 1 2 264.369 2.054 10 0 CEAELO CCOC(=O)[C@@](C)(CCN(C)CC(F)(F)F)[NH2+]C(C)C ZINC000045272696 175343061 /nfs/dbraw/zinc/34/30/61/175343061.db2.gz FTMRVDLYZLRIOC-GFCCVEGCSA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@](C)(CCN(CC)CC(F)(F)F)C(=O)OCC ZINC000045274133 175344328 /nfs/dbraw/zinc/34/43/28/175344328.db2.gz YOQUFCCXOZAAHE-GFCCVEGCSA-N 1 2 298.349 2.192 10 0 CEAELO CC[NH2+][C@@H](CN(CC)c1ccccc1C)C(=O)OCC ZINC000045369747 175363516 /nfs/dbraw/zinc/36/35/16/175363516.db2.gz FWIOHTMHWZVKIR-AWEZNQCLSA-N 1 2 278.396 2.363 10 0 CEAELO OC1C[NH+](CCSc2cccc(C(F)(F)F)c2)C1 ZINC000071214664 176086158 /nfs/dbraw/zinc/08/61/58/176086158.db2.gz FZKLSNOTIVDWAA-UHFFFAOYSA-N 1 2 277.311 2.474 10 0 CEAELO Cn1cc[nH+]c1CNc1ccc(N)c2cccnc12 ZINC000071275443 176106510 /nfs/dbraw/zinc/10/65/10/176106510.db2.gz FKTGWYQOTIDVTO-UHFFFAOYSA-N 1 2 253.309 2.163 10 0 CEAELO Cc1ccc(N)c(C(=O)N[C@H]2CCC[C@@H]2n2cc[nH+]c2)c1 ZINC000071383074 176146629 /nfs/dbraw/zinc/14/66/29/176146629.db2.gz IZZGYFPJRRARIZ-GJZGRUSLSA-N 1 2 284.363 2.297 10 0 CEAELO Nc1ccc(-c2cnn(CCCn3cc[nH+]c3)c2)cc1 ZINC000071415129 176160013 /nfs/dbraw/zinc/16/00/13/176160013.db2.gz BANKWSWPQFURRU-UHFFFAOYSA-N 1 2 267.336 2.419 10 0 CEAELO O=C(NC1CCC(C2CCC2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000662734414 415948900 /nfs/dbraw/zinc/94/89/00/415948900.db2.gz AMUMLBNJIRSHET-BPCQOVAHSA-N 1 2 286.366 2.459 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1CCOc1ccccc1F ZINC000077366676 177258456 /nfs/dbraw/zinc/25/84/56/177258456.db2.gz NNLJWDUGLWRPNS-VXGBXAGGSA-N 1 2 253.317 2.314 10 0 CEAELO O=C(C=Cc1ccc(Cl)cc1)NCCc1c[nH+]c[nH]1 ZINC000078723229 177375445 /nfs/dbraw/zinc/37/54/45/177375445.db2.gz ORHSFWAJSQRVFQ-ZZXKWVIFSA-N 1 2 275.739 2.435 10 0 CEAELO O=C(C=Cc1ccc(Cl)cc1)NCCc1c[nH]c[nH+]1 ZINC000078723229 177375446 /nfs/dbraw/zinc/37/54/46/177375446.db2.gz ORHSFWAJSQRVFQ-ZZXKWVIFSA-N 1 2 275.739 2.435 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cccc(-n2cccc2)c1 ZINC000078723429 177375648 /nfs/dbraw/zinc/37/56/48/177375648.db2.gz HTSGRGHZPIPWQI-UHFFFAOYSA-N 1 2 280.331 2.173 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cccc(-n2cccc2)c1 ZINC000078723429 177375649 /nfs/dbraw/zinc/37/56/49/177375649.db2.gz HTSGRGHZPIPWQI-UHFFFAOYSA-N 1 2 280.331 2.173 10 0 CEAELO CSc1ccc(C(=O)NCCc2c[nH+]c[nH]2)cc1 ZINC000078740257 177379875 /nfs/dbraw/zinc/37/98/75/177379875.db2.gz DKEUDOOPMPMHNW-UHFFFAOYSA-N 1 2 261.350 2.104 10 0 CEAELO CSc1ccc(C(=O)NCCc2c[nH]c[nH+]2)cc1 ZINC000078740257 177379876 /nfs/dbraw/zinc/37/98/76/177379876.db2.gz DKEUDOOPMPMHNW-UHFFFAOYSA-N 1 2 261.350 2.104 10 0 CEAELO CSC[C@@H](O)C[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000187910597 270255947 /nfs/dbraw/zinc/25/59/47/270255947.db2.gz DPLZVTFEZNESNT-NSHDSACASA-N 1 2 297.424 2.030 10 0 CEAELO C[C@H]1NC(=O)CC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000281639187 278509373 /nfs/dbraw/zinc/50/93/73/278509373.db2.gz MFQRLZFUXZHOQG-PWSUYJOCSA-N 1 2 255.321 2.314 10 0 CEAELO C[C@@H]1C[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C[C@@H](C)O1 ZINC000253600978 288138381 /nfs/dbraw/zinc/13/83/81/288138381.db2.gz FSLPANNXTVRTSU-LVQVYYBASA-N 1 2 294.439 2.277 10 0 CEAELO NC(=O)c1csc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438447 295195955 /nfs/dbraw/zinc/19/59/55/295195955.db2.gz JPPMMFXYNQDBMJ-ZDUSSCGKSA-N 1 2 290.392 2.297 10 0 CEAELO NC(=O)c1csc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438447 295195956 /nfs/dbraw/zinc/19/59/56/295195956.db2.gz JPPMMFXYNQDBMJ-ZDUSSCGKSA-N 1 2 290.392 2.297 10 0 CEAELO OC[C@@H]1OC[C@@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306618482 333008243 /nfs/dbraw/zinc/00/82/43/333008243.db2.gz SOYKOCDOUIBHOG-ROUUACIJSA-N 1 2 283.371 2.449 10 0 CEAELO CC(C)CCNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061536437 519663957 /nfs/dbraw/zinc/66/39/57/519663957.db2.gz CJXHFBCBXBOCJI-UHFFFAOYSA-N 1 2 266.736 2.169 10 0 CEAELO CCC[NH2+][C@@H](CCSc1ccccn1)C(=O)OCC ZINC000062599234 520006375 /nfs/dbraw/zinc/00/63/75/520006375.db2.gz CWUJWZFVBSPGAC-LBPRGKRZSA-N 1 2 282.409 2.495 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](CCC)CC1CC1)(C(=O)[O-])C1CC1 ZINC000069131910 520053591 /nfs/dbraw/zinc/05/35/91/520053591.db2.gz VKMNTBZHEYZHRM-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](CCC)CC1CC1)(C(=O)[O-])C1CC1 ZINC000069131910 520053599 /nfs/dbraw/zinc/05/35/99/520053599.db2.gz VKMNTBZHEYZHRM-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CC[NH2+][C@@H](CCSc1ccc(F)cc1)C(=O)OC ZINC000062598872 520095642 /nfs/dbraw/zinc/09/56/42/520095642.db2.gz PBRILYXOKBWRGZ-LBPRGKRZSA-N 1 2 271.357 2.459 10 0 CEAELO CCOC[C@H](O)CNc1ccc([NH+]2CCCC2)cc1 ZINC000069278694 520163418 /nfs/dbraw/zinc/16/34/18/520163418.db2.gz KQWKQRHAYHLKTR-OAHLLOKOSA-N 1 2 264.369 2.096 10 0 CEAELO CC[NH2+][C@H](CCN(C)c1ccccc1F)C(=O)OCC ZINC000062529819 520187743 /nfs/dbraw/zinc/18/77/43/520187743.db2.gz GXHGSAXNNDKCFI-CYBMUJFWSA-N 1 2 282.359 2.193 10 0 CEAELO CC[NH2+][C@](C)(CO[C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000045477471 520234263 /nfs/dbraw/zinc/23/42/63/520234263.db2.gz RYJVREDZUDQAAQ-SGMGOOAPSA-N 1 2 257.374 2.123 10 0 CEAELO CC[NH2+][C@](CSC(C)C)(C(=O)OCC)C1CC1 ZINC000069188540 520253065 /nfs/dbraw/zinc/25/30/65/520253065.db2.gz MGKCXEOLCWWEPA-ZDUSSCGKSA-N 1 2 259.415 2.449 10 0 CEAELO CCCC[N@H+](CC)C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069090252 520480058 /nfs/dbraw/zinc/48/00/58/520480058.db2.gz XLQZQASHYMZXIX-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CCCC[N@@H+](CC)C[C@@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069090252 520480066 /nfs/dbraw/zinc/48/00/66/520480066.db2.gz XLQZQASHYMZXIX-HNNXBMFYSA-N 1 2 270.417 2.340 10 0 CEAELO CCOC(=O)[C@H](CCN(CC)c1ccc(F)cc1)[NH2+]C ZINC000062530362 521243101 /nfs/dbraw/zinc/24/31/01/521243101.db2.gz BPQCWRUXIJDTSR-AWEZNQCLSA-N 1 2 282.359 2.193 10 0 CEAELO CCOC(=O)[C@](C)(C[C@H](C)Sc1ncc(C)cn1)[NH2+]C ZINC000068640033 521325262 /nfs/dbraw/zinc/32/52/62/521325262.db2.gz CQVWOSANDFVOQC-FZMZJTMJSA-N 1 2 297.424 2.197 10 0 CEAELO CCCN(CC[C@@H]([NH2+]CC)C(=O)OCC)CC(F)(F)F ZINC000062455797 521670326 /nfs/dbraw/zinc/67/03/26/521670326.db2.gz UOXFQKWXKHKIGC-LLVKDONJSA-N 1 2 298.349 2.192 10 0 CEAELO CCC[NH2+][C@@H](CCN1CCCc2ccccc21)C(=O)OC ZINC000062442805 519999660 /nfs/dbraw/zinc/99/96/60/519999660.db2.gz DPNFIBSYBPWPQS-HNNXBMFYSA-N 1 2 290.407 2.371 10 0 CEAELO CCC[NH2+][C@@H](COc1ccc(OCCC)cc1)C(=O)OC ZINC000045520257 520011265 /nfs/dbraw/zinc/01/12/65/520011265.db2.gz KVCYMXFUIVURAM-HNNXBMFYSA-N 1 2 295.379 2.395 10 0 CEAELO CCC[NH2+][C@H](COc1ccc2c(c1)CCCC2)C(=O)OC ZINC000045468945 520085145 /nfs/dbraw/zinc/08/51/45/520085145.db2.gz QENGYSDPHNXIQX-MRXNPFEDSA-N 1 2 291.391 2.485 10 0 CEAELO CC[NH2+][C@@H](CCN1CCCc2cc(C)ccc21)C(=O)OC ZINC000062438607 520089122 /nfs/dbraw/zinc/08/91/22/520089122.db2.gz WQJUFKBSTACYHF-HNNXBMFYSA-N 1 2 290.407 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CEAELO c1cn(-c2ccc(N[C@@H]3CCCOCC3)cn2)c[nH+]1 ZINC000086871554 179364026 /nfs/dbraw/zinc/36/40/26/179364026.db2.gz CZYUWFCZIHNXPJ-GFCCVEGCSA-N 1 2 258.325 2.248 10 0 CEAELO Nc1ccc2c(c1)[nH+]cnc2N1CCCSCC1 ZINC000087820326 179493203 /nfs/dbraw/zinc/49/32/03/179493203.db2.gz TYKIYOPXQGBVII-UHFFFAOYSA-N 1 2 260.366 2.155 10 0 CEAELO CC[N@@H+](Cc1noc(CC(C)C)n1)C[C@H]1CCOC1 ZINC000067846929 362928806 /nfs/dbraw/zinc/92/88/06/362928806.db2.gz GCFOYJARZUDHRN-GFCCVEGCSA-N 1 2 267.373 2.127 10 0 CEAELO CC[N@H+](Cc1noc(CC(C)C)n1)C[C@H]1CCOC1 ZINC000067846929 362928814 /nfs/dbraw/zinc/92/88/14/362928814.db2.gz GCFOYJARZUDHRN-GFCCVEGCSA-N 1 2 267.373 2.127 10 0 CEAELO C[C@H]1C[C@@H](O)C[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000401892398 233185988 /nfs/dbraw/zinc/18/59/88/233185988.db2.gz HVUMSWIOXKWBDG-VHSXEESVSA-N 1 2 279.365 2.001 10 0 CEAELO C[C@H]1C[C@@H](O)C[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000401892398 233185991 /nfs/dbraw/zinc/18/59/91/233185991.db2.gz HVUMSWIOXKWBDG-VHSXEESVSA-N 1 2 279.365 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/nfs/dbraw/zinc/03/82/45/186038245.db2.gz OSTANMXBZHPMFA-VIFPVBQESA-N 1 2 295.433 2.404 10 0 CEAELO C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1nnc2n1CCC2 ZINC000091660998 180218873 /nfs/dbraw/zinc/21/88/73/180218873.db2.gz IPCYQNXMNTWSPX-DGCLKSJQSA-N 1 2 283.379 2.348 10 0 CEAELO C[N@@H+]1CCO[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000091688321 180226397 /nfs/dbraw/zinc/22/63/97/180226397.db2.gz HSICACMOHANTFK-NSHDSACASA-N 1 2 273.254 2.219 10 0 CEAELO C[N@H+]1CCO[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000091688321 180226399 /nfs/dbraw/zinc/22/63/99/180226399.db2.gz HSICACMOHANTFK-NSHDSACASA-N 1 2 273.254 2.219 10 0 CEAELO CCNc1nc([C@@H]2C[N@H+](C)CCO2)nc(C)c1C(C)C ZINC000091722851 180242189 /nfs/dbraw/zinc/24/21/89/180242189.db2.gz JFUUUQMBPTYRGM-LBPRGKRZSA-N 1 2 278.400 2.343 10 0 CEAELO CCNc1nc([C@@H]2C[N@@H+](C)CCO2)nc(C)c1C(C)C ZINC000091722851 180242190 /nfs/dbraw/zinc/24/21/90/180242190.db2.gz JFUUUQMBPTYRGM-LBPRGKRZSA-N 1 2 278.400 2.343 10 0 CEAELO Nc1ccc(SCC[NH+]2CCOCC2)cc1Cl ZINC000091946275 180290725 /nfs/dbraw/zinc/29/07/25/180290725.db2.gz PMAWWMQHDCEUPR-UHFFFAOYSA-N 1 2 272.801 2.347 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275149 180356194 /nfs/dbraw/zinc/35/61/94/180356194.db2.gz ZNAGJKRGNYJHRS-QWRGUYRKSA-N 1 2 265.378 2.417 10 0 CEAELO Cc1cc(NC(=O)c2ccc(N(C)C)c(N)c2)cc[nH+]1 ZINC000092348348 180366899 /nfs/dbraw/zinc/36/68/99/180366899.db2.gz JDHAOWNFFPAFAX-UHFFFAOYSA-N 1 2 270.336 2.291 10 0 CEAELO COc1cc(N)c(C(=O)Nc2cc[nH+]c(C)c2)cc1OC ZINC000092348432 180367083 /nfs/dbraw/zinc/36/70/83/180367083.db2.gz NFJLRSIHEUSBTP-UHFFFAOYSA-N 1 2 287.319 2.242 10 0 CEAELO Cc1cc(NS(=O)(=O)c2cc(N)c(F)cc2F)cc[nH+]1 ZINC000092348682 180367697 /nfs/dbraw/zinc/36/76/97/180367697.db2.gz BUZGTFMDSWQMMA-UHFFFAOYSA-N 1 2 299.302 2.051 10 0 CEAELO CCNc1cccc(Cn2nc(CC)nc2CC)[nH+]1 ZINC000092372534 180371158 /nfs/dbraw/zinc/37/11/58/180371158.db2.gz QWTGNZNUQDPTFJ-UHFFFAOYSA-N 1 2 259.357 2.278 10 0 CEAELO Cc1cccnc1-c1nc2c(c(NN)[nH+]1)CCCCC2 ZINC000109522285 186258760 /nfs/dbraw/zinc/25/87/60/186258760.db2.gz HUFCUSHZCRRMJN-UHFFFAOYSA-N 1 2 269.352 2.402 10 0 CEAELO COc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)c(OC)c1 ZINC000109554350 186263258 /nfs/dbraw/zinc/26/32/58/186263258.db2.gz SCKSKQZDQKLISY-NSHDSACASA-N 1 2 263.337 2.115 10 0 CEAELO COc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)c(OC)c1 ZINC000109554350 186263259 /nfs/dbraw/zinc/26/32/59/186263259.db2.gz SCKSKQZDQKLISY-NSHDSACASA-N 1 2 263.337 2.115 10 0 CEAELO C[N@@H+]1CC[C@H](CNc2cc(C(=O)[O-])[nH+]c3ccccc23)C1 ZINC000109587691 186263377 /nfs/dbraw/zinc/26/33/77/186263377.db2.gz LUTACCOASUZVAA-LLVKDONJSA-N 1 2 285.347 2.297 10 0 CEAELO C[N@H+]1CC[C@H](CNc2cc(C(=O)[O-])[nH+]c3ccccc23)C1 ZINC000109587691 186263378 /nfs/dbraw/zinc/26/33/78/186263378.db2.gz LUTACCOASUZVAA-LLVKDONJSA-N 1 2 285.347 2.297 10 0 CEAELO NC(=O)[C@@H]([NH2+]Cc1ccccc1)c1cccc(F)c1F ZINC000111040227 186346484 /nfs/dbraw/zinc/34/64/84/186346484.db2.gz CEGGXIMORWDAEL-AWEZNQCLSA-N 1 2 276.286 2.281 10 0 CEAELO 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ZINC000195440653 153289096 /nfs/dbraw/zinc/28/90/96/153289096.db2.gz CBVOVJWLWQDUGM-LLVKDONJSA-N 1 2 268.382 2.194 10 0 CEAELO CCOC(=O)C[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195440653 153289098 /nfs/dbraw/zinc/28/90/98/153289098.db2.gz CBVOVJWLWQDUGM-LLVKDONJSA-N 1 2 268.382 2.194 10 0 CEAELO CC(C)c1nc(C[NH+]2CCC(c3ccnn3C)CC2)no1 ZINC000195504047 153293498 /nfs/dbraw/zinc/29/34/98/153293498.db2.gz FGKKAVCMXISPKU-UHFFFAOYSA-N 1 2 289.383 2.306 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cccc(F)c2)o1 ZINC000220930541 153308429 /nfs/dbraw/zinc/30/84/29/153308429.db2.gz TYYLAIOAKNXBJW-SNVBAGLBSA-N 1 2 277.299 2.411 10 0 CEAELO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263307526 154055930 /nfs/dbraw/zinc/05/59/30/154055930.db2.gz YDHKFSJZRYTJHS-BNOWGMLFSA-N 1 2 294.345 2.388 10 0 CEAELO C[N@@H+]1Cc2cccc(NC(=O)c3cscn3)c2C1 ZINC000169815561 165038092 /nfs/dbraw/zinc/03/80/92/165038092.db2.gz ZHZADGQTNBNPBP-UHFFFAOYSA-N 1 2 259.334 2.341 10 0 CEAELO C[N@H+]1Cc2cccc(NC(=O)c3cscn3)c2C1 ZINC000169815561 165038093 /nfs/dbraw/zinc/03/80/93/165038093.db2.gz ZHZADGQTNBNPBP-UHFFFAOYSA-N 1 2 259.334 2.341 10 0 CEAELO COC(=O)CCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173707960 165078004 /nfs/dbraw/zinc/07/80/04/165078004.db2.gz ZKKWMCXMDXPMPW-UHFFFAOYSA-N 1 2 293.367 2.259 10 0 CEAELO CCc1nc([C@H]2C[N@H+](CC3CCCCC3)CCO2)n[nH]1 ZINC000173687181 165079703 /nfs/dbraw/zinc/07/97/03/165079703.db2.gz GVPVNWSRIHRQGX-CYBMUJFWSA-N 1 2 278.400 2.321 10 0 CEAELO CCc1nc([C@H]2C[N@@H+](CC3CCCCC3)CCO2)n[nH]1 ZINC000173687181 165079706 /nfs/dbraw/zinc/07/97/06/165079706.db2.gz GVPVNWSRIHRQGX-CYBMUJFWSA-N 1 2 278.400 2.321 10 0 CEAELO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000178722563 165256545 /nfs/dbraw/zinc/25/65/45/165256545.db2.gz JTSJUVKWSKPKOP-QWRGUYRKSA-N 1 2 275.377 2.384 10 0 CEAELO c1csc([C@@H]2C[N@H+](CCO[C@@H]3CCCCO3)CCO2)n1 ZINC000181697582 165354172 /nfs/dbraw/zinc/35/41/72/165354172.db2.gz YKMMDJQJPOTAPR-QWHCGFSZSA-N 1 2 298.408 2.060 10 0 CEAELO c1csc([C@@H]2C[N@@H+](CCO[C@@H]3CCCCO3)CCO2)n1 ZINC000181697582 165354173 /nfs/dbraw/zinc/35/41/73/165354173.db2.gz YKMMDJQJPOTAPR-QWHCGFSZSA-N 1 2 298.408 2.060 10 0 CEAELO C[C@H](C(=O)Nc1ccc(N)cc1Cl)n1cc[nH+]c1 ZINC000022215283 171375533 /nfs/dbraw/zinc/37/55/33/171375533.db2.gz AUJABEULAKBIGM-MRVPVSSYSA-N 1 2 264.716 2.318 10 0 CEAELO CC(C)CNC(=O)[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000035164440 172026299 /nfs/dbraw/zinc/02/62/99/172026299.db2.gz JBNWQROUUZOIKY-LBPRGKRZSA-N 1 2 263.385 2.325 10 0 CEAELO C[C@@H](Nc1[nH+]cccc1C(N)=S)c1cccnc1 ZINC000035692347 172361462 /nfs/dbraw/zinc/36/14/62/172361462.db2.gz QPXJYGJATVXEJH-SECBINFHSA-N 1 2 258.350 2.284 10 0 CEAELO [NH3+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)C(F)(F)C(F)(F)F ZINC000037034531 172903218 /nfs/dbraw/zinc/90/32/18/172903218.db2.gz JWYRGXSSXLMGBZ-ZETCQYMHSA-N 1 2 281.184 2.054 10 0 CEAELO Cn1cc[nH+]c1[C@@H](NCC(F)(F)F)c1ccco1 ZINC000037184458 173016746 /nfs/dbraw/zinc/01/67/46/173016746.db2.gz QODWFZWCONLVSX-VIFPVBQESA-N 1 2 259.231 2.254 10 0 CEAELO CC[NH2+][C@](CC)(C(=O)OCC)c1ccc(O)cc1 ZINC000037447073 173214371 /nfs/dbraw/zinc/21/43/71/173214371.db2.gz MQKCMXTWGLAXRL-AWEZNQCLSA-N 1 2 251.326 2.170 10 0 CEAELO C[C@H]1COCC[N@@H+]1Cc1ccc(N)cc1Br ZINC000037460487 173224497 /nfs/dbraw/zinc/22/44/97/173224497.db2.gz GWZAZXNOTZRSIE-VIFPVBQESA-N 1 2 285.185 2.252 10 0 CEAELO C[C@H]1COCC[N@H+]1Cc1ccc(N)cc1Br ZINC000037460487 173224499 /nfs/dbraw/zinc/22/44/99/173224499.db2.gz GWZAZXNOTZRSIE-VIFPVBQESA-N 1 2 285.185 2.252 10 0 CEAELO CC(C)Cc1noc(C[N@@H+]2CCc3c(N)cccc3C2)n1 ZINC000038032837 174029494 /nfs/dbraw/zinc/02/94/94/174029494.db2.gz KMTJBMNCIWWDJV-UHFFFAOYSA-N 1 2 286.379 2.409 10 0 CEAELO CC(C)Cc1noc(C[N@H+]2CCc3c(N)cccc3C2)n1 ZINC000038032837 174029495 /nfs/dbraw/zinc/02/94/95/174029495.db2.gz KMTJBMNCIWWDJV-UHFFFAOYSA-N 1 2 286.379 2.409 10 0 CEAELO COC(=O)[C@H]1C[C@@H](Oc2cccc3ccccc32)C[NH2+]1 ZINC000039141385 174164657 /nfs/dbraw/zinc/16/46/57/174164657.db2.gz VIGOCDAQVFXZIR-TZMCWYRMSA-N 1 2 271.316 2.122 10 0 CEAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)NC1CC1 ZINC000040295636 174223442 /nfs/dbraw/zinc/22/34/42/174223442.db2.gz IJHOULOAYUMQQQ-UHFFFAOYSA-N 1 2 257.337 2.438 10 0 CEAELO Cc1cc(C)c(C(N)=S)c(Nc2cccnc2)[nH+]1 ZINC000040509968 174304197 /nfs/dbraw/zinc/30/41/97/174304197.db2.gz MTUSVMBGPQZGOG-UHFFFAOYSA-N 1 2 258.350 2.471 10 0 CEAELO CN(Cc1ccccc1)c1nc[nH+]c(N2CCCC2)c1N ZINC000040662187 174365962 /nfs/dbraw/zinc/36/59/62/174365962.db2.gz NTGKCAQAAQXSMR-UHFFFAOYSA-N 1 2 283.379 2.295 10 0 CEAELO CN(Cc1ccccc1)c1[nH+]cnc(N2CCCC2)c1N ZINC000040662187 174365964 /nfs/dbraw/zinc/36/59/64/174365964.db2.gz NTGKCAQAAQXSMR-UHFFFAOYSA-N 1 2 283.379 2.295 10 0 CEAELO Cc1ccnc(Nc2nc[nH+]c(NC(C)C)c2N)c1 ZINC000040701227 174379057 /nfs/dbraw/zinc/37/90/57/174379057.db2.gz SNJOCHASZNEIKP-UHFFFAOYSA-N 1 2 258.329 2.326 10 0 CEAELO CCNc1[nH+]cnc(Nc2cccc(C(C)=O)c2)c1N ZINC000040705157 174379382 /nfs/dbraw/zinc/37/93/82/174379382.db2.gz XLLHASHJNHCINL-UHFFFAOYSA-N 1 2 271.324 2.437 10 0 CEAELO CCNc1nc[nH+]c(Nc2cccc(C(C)=O)c2)c1N ZINC000040705157 174379383 /nfs/dbraw/zinc/37/93/83/174379383.db2.gz XLLHASHJNHCINL-UHFFFAOYSA-N 1 2 271.324 2.437 10 0 CEAELO COCCCNc1[nH+]cnc(Nc2ccccc2F)c1N ZINC000040757107 174396177 /nfs/dbraw/zinc/39/61/77/174396177.db2.gz NLVOUFLWBXCYGR-UHFFFAOYSA-N 1 2 291.330 2.390 10 0 CEAELO CCOC(=O)[C@](C)(CN(CC)c1ccccc1C)[NH2+]C ZINC000045222989 175331029 /nfs/dbraw/zinc/33/10/29/175331029.db2.gz XIFDPKJAYITQQY-INIZCTEOSA-N 1 2 278.396 2.363 10 0 CEAELO CC[NH2+][C@@](C)(C[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271865 175342196 /nfs/dbraw/zinc/34/21/96/175342196.db2.gz KPYDWBCRPLYLLD-AWEZNQCLSA-N 1 2 256.390 2.094 10 0 CEAELO CC[NH2+][C@@](C)(C[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271865 175342197 /nfs/dbraw/zinc/34/21/97/175342197.db2.gz KPYDWBCRPLYLLD-AWEZNQCLSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@](C)(CN(CCC)CC(F)(F)F)C(=O)OC ZINC000045274366 175344998 /nfs/dbraw/zinc/34/49/98/175344998.db2.gz IUUXVLPSZNPOKJ-GFCCVEGCSA-N 1 2 298.349 2.192 10 0 CEAELO CCN(C[C@H]([NH2+]C(C)C)C(=O)OC)c1cccc(C)c1 ZINC000045420023 175378654 /nfs/dbraw/zinc/37/86/54/175378654.db2.gz IEKGKWHZXCKTMX-HNNXBMFYSA-N 1 2 278.396 2.361 10 0 CEAELO [NH2+]=C(Cc1ccc(O)cc1)c1c(O)cc(O)cc1O ZINC000575141522 335072109 /nfs/dbraw/zinc/07/21/09/335072109.db2.gz GVZIALKFZKLTNV-UHFFFAOYSA-N 1 2 259.261 2.120 10 0 CEAELO CCC[NH2+][C@@](C)(Cc1ccc(OC)cc1)C(=O)OC ZINC000071169721 176050373 /nfs/dbraw/zinc/05/03/73/176050373.db2.gz SKYPTZRGXKDNKT-HNNXBMFYSA-N 1 2 265.353 2.169 10 0 CEAELO C[C@@H]1C[NH+](Cc2ccc(F)cc2C(N)=S)C[C@@H](C)O1 ZINC000071265641 176099007 /nfs/dbraw/zinc/09/90/07/176099007.db2.gz OGSOFSHPWKLGTE-NXEZZACHSA-N 1 2 282.384 2.069 10 0 CEAELO Cc1cc[nH+]cc1N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000071413959 176159210 /nfs/dbraw/zinc/15/92/10/176159210.db2.gz URSSMNHHNDAWPZ-ZDUSSCGKSA-N 1 2 274.345 2.331 10 0 CEAELO O=C(NCc1cn2cc(F)ccc2[nH+]1)c1ccccc1 ZINC000071446271 176175386 /nfs/dbraw/zinc/17/53/86/176175386.db2.gz AFCYRZIKEVHMCQ-UHFFFAOYSA-N 1 2 269.279 2.403 10 0 CEAELO COc1cc(Cl)ccc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000078723473 177375910 /nfs/dbraw/zinc/37/59/10/177375910.db2.gz FXWMGUQLMKJSRS-UHFFFAOYSA-N 1 2 279.727 2.044 10 0 CEAELO COc1cc(Cl)ccc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000078723473 177375912 /nfs/dbraw/zinc/37/59/12/177375912.db2.gz FXWMGUQLMKJSRS-UHFFFAOYSA-N 1 2 279.727 2.044 10 0 CEAELO COC(=O)[C@@](C)(Cc1ccc(OC)c(OC)c1)[NH2+]C(C)C ZINC000080183730 177619705 /nfs/dbraw/zinc/61/97/05/177619705.db2.gz JUCSAPUEKRJRTL-MRXNPFEDSA-N 1 2 295.379 2.176 10 0 CEAELO Cc1ncc(C[NH+]2CCN(C(=O)OCC3CC3)CC2)s1 ZINC000189605084 260224370 /nfs/dbraw/zinc/22/43/70/260224370.db2.gz LYYOCQPXQGKITD-UHFFFAOYSA-N 1 2 295.408 2.116 10 0 CEAELO Cc1nnc(C[N@H+](C)CCc2nccs2)n1C1CC1 ZINC000157766362 289221454 /nfs/dbraw/zinc/22/14/54/289221454.db2.gz HFBWUBCKQYPAFM-UHFFFAOYSA-N 1 2 277.397 2.052 10 0 CEAELO Cn1cc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)nn1 ZINC000344690295 294241046 /nfs/dbraw/zinc/24/10/46/294241046.db2.gz XAMWUZOUSJQGLH-ZDUSSCGKSA-N 1 2 272.352 2.207 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1C[C@@H]1C1CC1)C2 ZINC000176065577 312705372 /nfs/dbraw/zinc/70/53/72/312705372.db2.gz QAVNVKUJFPBMHW-CHWSQXEVSA-N 1 2 287.407 2.474 10 0 CEAELO CC(C)[N@@H+](CC1CC1)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069183560 519640575 /nfs/dbraw/zinc/64/05/75/519640575.db2.gz JLOVMJYFAPUKBI-MRXNPFEDSA-N 1 2 280.412 2.092 10 0 CEAELO CCOC(=O)[C@@H](CCOc1cccc(CC)c1)[NH2+]C ZINC000062545249 521061428 /nfs/dbraw/zinc/06/14/28/521061428.db2.gz DTNWAJLHRNXATC-CQSZACIVSA-N 1 2 265.353 2.169 10 0 CEAELO CCOC(=O)[C@H](CCOc1cc(C)ccc1C)[NH2+]C ZINC000062549309 521248416 /nfs/dbraw/zinc/24/84/16/521248416.db2.gz OJYFHGLGTHSTFP-ZDUSSCGKSA-N 1 2 265.353 2.223 10 0 CEAELO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000049537500 518793468 /nfs/dbraw/zinc/79/34/68/518793468.db2.gz AFGORYGXUTWMEF-CQSZACIVSA-N 1 2 261.365 2.475 10 0 CEAELO CC(C)[N@H+](CC1CC1)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069183560 519640573 /nfs/dbraw/zinc/64/05/73/519640573.db2.gz JLOVMJYFAPUKBI-MRXNPFEDSA-N 1 2 280.412 2.092 10 0 CEAELO CCC1CCC([N@H+](C)C[C@]([NH2+]C)(C(=O)[O-])C2CC2)CC1 ZINC000069183665 519853379 /nfs/dbraw/zinc/85/33/79/519853379.db2.gz HLHCCVAMKIDDSL-LDZOIKDWSA-N 1 2 282.428 2.340 10 0 CEAELO CCC1CCC([N@@H+](C)C[C@]([NH2+]C)(C(=O)[O-])C2CC2)CC1 ZINC000069183665 519853380 /nfs/dbraw/zinc/85/33/80/519853380.db2.gz HLHCCVAMKIDDSL-LDZOIKDWSA-N 1 2 282.428 2.340 10 0 CEAELO CCNC(=O)c1ccc(NCc2[nH]c[nH+]c2C)cc1 ZINC000054795803 519896407 /nfs/dbraw/zinc/89/64/07/519896407.db2.gz WFAYPBGANUKARV-UHFFFAOYSA-N 1 2 258.325 2.080 10 0 CEAELO CCC[NH2+][C@H](COc1ccc(F)c(F)c1)C(=O)OCC ZINC000045544781 520085022 /nfs/dbraw/zinc/08/50/22/520085022.db2.gz DAHUUEOXDFOUFC-CYBMUJFWSA-N 1 2 287.306 2.275 10 0 CEAELO CC[NH2+][C@@H](CCOc1cccc(OCC)c1)C(=O)OCC ZINC000062595865 520093496 /nfs/dbraw/zinc/09/34/96/520093496.db2.gz ZUGZBBYILDKFHA-HNNXBMFYSA-N 1 2 295.379 2.395 10 0 CEAELO CCC[NH2+][C@](CO[C@@H](C)CC)(C(=O)OC)C1CC1 ZINC000069198211 520123274 /nfs/dbraw/zinc/12/32/74/520123274.db2.gz RFAJCWQOPNFAEE-FZMZJTMJSA-N 1 2 257.374 2.123 10 0 CEAELO CC[NH2+][C@@](CN(C)c1cccc(C)c1)(C(=O)OC)C1CC1 ZINC000069231366 520149273 /nfs/dbraw/zinc/14/92/73/520149273.db2.gz SFRQVQSRXJBGEG-QGZVFWFLSA-N 1 2 290.407 2.363 10 0 CEAELO CC[NH2+][C@H](CCOc1ccc(C)cc1C)C(=O)OC ZINC000062547757 520191055 /nfs/dbraw/zinc/19/10/55/520191055.db2.gz UBJQJPVHSYFJII-CYBMUJFWSA-N 1 2 265.353 2.223 10 0 CEAELO CC[NH2+][C@H](CCOCCCC(C)C)C(=O)OCC ZINC000062543102 520191445 /nfs/dbraw/zinc/19/14/45/520191445.db2.gz OZYNNMLVTMFSJQ-CYBMUJFWSA-N 1 2 259.390 2.371 10 0 CEAELO CC[NH2+][C@H](CCn1cnc2cc(C)c(C)cc21)C(=O)OC ZINC000062534591 520196524 /nfs/dbraw/zinc/19/65/24/520196524.db2.gz MUTBCTUNWVUCHO-CYBMUJFWSA-N 1 2 289.379 2.194 10 0 CEAELO CC[NH2+][C@H](COc1cc(C)cc(C)c1)C(=O)OCC ZINC000045516330 520199284 /nfs/dbraw/zinc/19/92/84/520199284.db2.gz KSUKQIPXNPZDCR-CQSZACIVSA-N 1 2 265.353 2.223 10 0 CEAELO CC[NH2+][C@H](c1nnc([C@H]2CCOC2)o1)c1ccccc1 ZINC000050618140 520211797 /nfs/dbraw/zinc/21/17/97/520211797.db2.gz ZDVGLJOIOBSTIV-STQMWFEESA-N 1 2 273.336 2.272 10 0 CEAELO CC[NH2+][C@](C)(Cn1cc(-c2ccccc2)cn1)C(=O)OC ZINC000054961904 520243460 /nfs/dbraw/zinc/24/34/60/520243460.db2.gz NBGKSBGJLSOPRL-MRXNPFEDSA-N 1 2 287.363 2.091 10 0 CEAELO CCCSC[C@]([NH2+]C(C)C)(C(=O)OC)C1CC1 ZINC000069185327 520566718 /nfs/dbraw/zinc/56/67/18/520566718.db2.gz JCZUMSFBXZLYFH-CYBMUJFWSA-N 1 2 259.415 2.449 10 0 CEAELO CCCCOC[C@@]([NH2+]C(C)C)(C(=O)OC)C1CC1 ZINC000069198069 520801532 /nfs/dbraw/zinc/80/15/32/520801532.db2.gz YOEGRQIEXGYNNY-AWEZNQCLSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccc(OC)cc1)[NH2+]C(C)C ZINC000062550656 521060226 /nfs/dbraw/zinc/06/02/26/521060226.db2.gz WOYGQRLRGFWUEG-OAHLLOKOSA-N 1 2 295.379 2.394 10 0 CEAELO CCC[C@H](NC(=O)c1ccc(NN)[nH+]n1)c1cccs1 ZINC000051114794 521143458 /nfs/dbraw/zinc/14/34/58/521143458.db2.gz AZHXEYLSTXNMRS-VIFPVBQESA-N 1 2 291.380 2.095 10 0 CEAELO CCOC(=O)[C@@](Cn1cc(Cl)cn1)([NH2+]C1CC1)C1CC1 ZINC000069192598 521168574 /nfs/dbraw/zinc/16/85/74/521168574.db2.gz KLVJNHUAVRATLS-AWEZNQCLSA-N 1 2 297.786 2.000 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]CCOC)CCC[C@@H](C(F)(F)F)C1 ZINC000069385887 521182979 /nfs/dbraw/zinc/18/29/79/521182979.db2.gz HEZVGWJAHPPMDY-ZYHUDNBSSA-N 1 2 297.317 2.277 10 0 CEAELO CCN(C[C@]([NH2+]C)(C(=O)OC)C1CC1)c1cccc(C)c1 ZINC000069100776 521275377 /nfs/dbraw/zinc/27/53/77/521275377.db2.gz XMNKPRJOMAEJAZ-QGZVFWFLSA-N 1 2 290.407 2.363 10 0 CEAELO CCC(C)(C)OC[C@]([NH2+]C1CC1)(C(=O)OC)C1CC1 ZINC000069195855 521358901 /nfs/dbraw/zinc/35/89/01/521358901.db2.gz RSOFVMLCHKGBNP-OAHLLOKOSA-N 1 2 269.385 2.265 10 0 CEAELO CCOC(=O)c1[nH+]c(CC)n(C[C@H](C)CC)c1N ZINC000054491063 521596946 /nfs/dbraw/zinc/59/69/46/521596946.db2.gz KSCCGQAFPYKMLI-SECBINFHSA-N 1 2 253.346 2.251 10 0 CEAELO CC[N@@H+]1CCC[C@@H](Nc2[nH+]c3c(cc2C(=O)[O-])CCC3)C1 ZINC000054529717 521627550 /nfs/dbraw/zinc/62/75/50/521627550.db2.gz XTVKFXLLSHYRKC-GFCCVEGCSA-N 1 2 289.379 2.165 10 0 CEAELO CC[N@H+]1CCC[C@@H](Nc2[nH+]c3c(cc2C(=O)[O-])CCC3)C1 ZINC000054529717 521627553 /nfs/dbraw/zinc/62/75/53/521627553.db2.gz XTVKFXLLSHYRKC-GFCCVEGCSA-N 1 2 289.379 2.165 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)n1ccc(C(F)(F)F)n1)C(=O)OC ZINC000068649323 522418889 /nfs/dbraw/zinc/41/88/89/522418889.db2.gz MXUVASBCCCCNFP-KCJUWKMLSA-N 1 2 293.289 2.004 10 0 CEAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1CC[NH+]1CCCC1 ZINC000054131569 522483377 /nfs/dbraw/zinc/48/33/77/522483377.db2.gz LXWBDIZFCBMKJJ-UHFFFAOYSA-N 1 2 287.363 2.393 10 0 CEAELO CNc1ccc(Cl)cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000050788806 522627662 /nfs/dbraw/zinc/62/76/62/522627662.db2.gz OOGVUKFWMUELFD-JTQLQIEISA-N 1 2 292.770 2.397 10 0 CEAELO C[N@H+](CC1CCCC1)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069233251 522651011 /nfs/dbraw/zinc/65/10/11/522651011.db2.gz BDNXZOOKDPNAEU-MRXNPFEDSA-N 1 2 280.412 2.094 10 0 CEAELO C[N@@H+](CC1CCCC1)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069233251 522651017 /nfs/dbraw/zinc/65/10/17/522651017.db2.gz BDNXZOOKDPNAEU-MRXNPFEDSA-N 1 2 280.412 2.094 10 0 CEAELO CC[C@H](C)[NH+]1CCN(c2[nH+]c(C)ccc2C(=O)[O-])CC1 ZINC000055085535 523961780 /nfs/dbraw/zinc/96/17/80/523961780.db2.gz CUKLRDLFDQZRLF-LBPRGKRZSA-N 1 2 277.368 2.009 10 0 CEAELO COC(=O)[C@](C)(CCOC1CCCCC1)[NH2+]C1CC1 ZINC000045505225 523998773 /nfs/dbraw/zinc/99/87/73/523998773.db2.gz LYUOPPDRUISNTQ-HNNXBMFYSA-N 1 2 269.385 2.410 10 0 CEAELO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069132395 524163185 /nfs/dbraw/zinc/16/31/85/524163185.db2.gz BLOFPKYHZBRXJY-SRCQZFHVSA-N 1 2 294.439 2.482 10 0 CEAELO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069132395 524163188 /nfs/dbraw/zinc/16/31/88/524163188.db2.gz BLOFPKYHZBRXJY-SRCQZFHVSA-N 1 2 294.439 2.482 10 0 CEAELO C[C@H](C[N@H+](C)Cc1nnc(C2CC2)n1C)c1nccs1 ZINC000183942394 524299103 /nfs/dbraw/zinc/29/91/03/524299103.db2.gz CUOWNJSOUFEKOL-SNVBAGLBSA-N 1 2 291.424 2.385 10 0 CEAELO C[C@H](C[N@@H+](C)Cc1nnc(C2CC2)n1C)c1nccs1 ZINC000183942394 524299113 /nfs/dbraw/zinc/29/91/13/524299113.db2.gz CUOWNJSOUFEKOL-SNVBAGLBSA-N 1 2 291.424 2.385 10 0 CEAELO C[C@@H]1C[NH+](CC(=O)N2CCCc3ccccc32)C[C@@H](C)O1 ZINC000069537382 524926154 /nfs/dbraw/zinc/92/61/54/524926154.db2.gz ZJZJRXRQVXAZSK-ZIAGYGMSSA-N 1 2 288.391 2.075 10 0 CEAELO CS(=O)(=O)c1ccc(Cl)c(NCc2c[nH+]c[nH]2)c1 ZINC000054764317 525250970 /nfs/dbraw/zinc/25/09/70/525250970.db2.gz QHBUAYACVMYYQK-UHFFFAOYSA-N 1 2 285.756 2.079 10 0 CEAELO CS(=O)(=O)c1ccc(Cl)c(NCc2c[nH]c[nH+]2)c1 ZINC000054764317 525250982 /nfs/dbraw/zinc/25/09/82/525250982.db2.gz QHBUAYACVMYYQK-UHFFFAOYSA-N 1 2 285.756 2.079 10 0 CEAELO COc1ccc2cc(-c3[nH+]c(C)n(N)c3N)ccc2c1 ZINC000052838506 525619270 /nfs/dbraw/zinc/61/92/70/525619270.db2.gz NHQCOVFMMJHZFS-UHFFFAOYSA-N 1 2 268.320 2.316 10 0 CEAELO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1nc(C2CC2)no1 ZINC000182897767 525627234 /nfs/dbraw/zinc/62/72/34/525627234.db2.gz QAMXPWMTANPDQI-MFKMUULPSA-N 1 2 273.336 2.331 10 0 CEAELO Cc1ccnc(N2N=C(C(C)C)[C@H](CCC[NH3+])C2=O)c1 ZINC000069507131 525675493 /nfs/dbraw/zinc/67/54/93/525675493.db2.gz VORYALWAWBQMIM-LBPRGKRZSA-N 1 2 274.368 2.104 10 0 CEAELO Cc1cc2[nH+]cn(CC[C@@H]([NH2+]C(C)C)C(=O)[O-])c2cc1C ZINC000062534653 525684159 /nfs/dbraw/zinc/68/41/59/525684159.db2.gz PGEPDJFPBSEQAL-CYBMUJFWSA-N 1 2 289.379 2.494 10 0 CEAELO Cc1ccc2c(c1)[C@H](NC(=O)NCCn1cc[nH+]c1)[C@@H](C)C2 ZINC000182413342 526204144 /nfs/dbraw/zinc/20/41/44/526204144.db2.gz XLFXQTIFKMOGPV-XJKSGUPXSA-N 1 2 298.390 2.424 10 0 CEAELO Cc1ccc(C(N)=S)c([N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052763802 526254646 /nfs/dbraw/zinc/25/46/46/526254646.db2.gz KGKOQBDTCFQLSJ-LBPRGKRZSA-N 1 2 278.421 2.371 10 0 CEAELO Cc1ccc(C(N)=S)c([N@H+]2CCC[C@H]2CCCO)c1 ZINC000052763802 526254649 /nfs/dbraw/zinc/25/46/49/526254649.db2.gz KGKOQBDTCFQLSJ-LBPRGKRZSA-N 1 2 278.421 2.371 10 0 CEAELO Cc1ccc(C(N)=S)c([N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052763801 526255139 /nfs/dbraw/zinc/25/51/39/526255139.db2.gz KGKOQBDTCFQLSJ-GFCCVEGCSA-N 1 2 278.421 2.371 10 0 CEAELO Cc1ccc(C(N)=S)c([N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052763801 526255140 /nfs/dbraw/zinc/25/51/40/526255140.db2.gz KGKOQBDTCFQLSJ-GFCCVEGCSA-N 1 2 278.421 2.371 10 0 CEAELO Cc1nc(-c2ccccc2NCc2[nH+]ccn2C)n[nH]1 ZINC000051922211 526478775 /nfs/dbraw/zinc/47/87/75/526478775.db2.gz GGCTYDLMAZKKOM-UHFFFAOYSA-N 1 2 268.324 2.126 10 0 CEAELO NC(=S)c1cc(N2CCc3ccccc32)cc[nH+]1 ZINC000061812173 527115791 /nfs/dbraw/zinc/11/57/91/527115791.db2.gz SMFURFHKKKVBDV-UHFFFAOYSA-N 1 2 255.346 2.410 10 0 CEAELO NC(=S)c1ccc[nH+]c1NC[C@@H]1Cc2ccccc2O1 ZINC000051087397 527121872 /nfs/dbraw/zinc/12/18/72/527121872.db2.gz JFIIQUSEVNFSTE-NSHDSACASA-N 1 2 285.372 2.131 10 0 CEAELO Nc1cc(NC(=O)C[NH+]2Cc3ccccc3C2)ccc1F ZINC000050909845 527457795 /nfs/dbraw/zinc/45/77/95/527457795.db2.gz XBGCGYAHMIPODS-UHFFFAOYSA-N 1 2 285.322 2.362 10 0 CEAELO Nc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c[nH+]1 ZINC000061680419 527493157 /nfs/dbraw/zinc/49/31/57/527493157.db2.gz KWSNVFYFEYBCAM-UHFFFAOYSA-N 1 2 281.271 2.023 10 0 CEAELO Nc1ccc2c(c1)C[N@@H+](CCOCC(F)(F)F)C2 ZINC000049311464 527508251 /nfs/dbraw/zinc/50/82/51/527508251.db2.gz GNPKPQUREIZMJB-UHFFFAOYSA-N 1 2 260.259 2.163 10 0 CEAELO Nc1ccc2c(c1)C[N@H+](CCOCC(F)(F)F)C2 ZINC000049311464 527508257 /nfs/dbraw/zinc/50/82/57/527508257.db2.gz GNPKPQUREIZMJB-UHFFFAOYSA-N 1 2 260.259 2.163 10 0 CEAELO OC1CC[NH+](Cc2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000069339231 527516065 /nfs/dbraw/zinc/51/60/65/527516065.db2.gz OFYJIQPMDDMREQ-UHFFFAOYSA-N 1 2 293.754 2.347 10 0 CEAELO COCC[C@@H]1C[N@H+](C/C(C)=C\c2ccco2)CCO1 ZINC000096865472 623656307 /nfs/dbraw/zinc/65/63/07/623656307.db2.gz NWAIUDVSDOLCEF-VSKPTYQZSA-N 1 2 265.353 2.420 10 0 CEAELO COCC[C@@H]1C[N@@H+](C/C(C)=C\c2ccco2)CCO1 ZINC000096865472 623656310 /nfs/dbraw/zinc/65/63/10/623656310.db2.gz NWAIUDVSDOLCEF-VSKPTYQZSA-N 1 2 265.353 2.420 10 0 CEAELO O=C(c1cccc(Cl)n1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177791066 625890841 /nfs/dbraw/zinc/89/08/41/625890841.db2.gz UKENWRAKCISGMT-LLVKDONJSA-N 1 2 290.754 2.236 10 0 CEAELO COC[C@@H]([NH3+])c1nc(Cc2c(F)cccc2Cl)no1 ZINC000167532670 627665201 /nfs/dbraw/zinc/66/52/01/627665201.db2.gz LEENZAJWAROGGI-SNVBAGLBSA-N 1 2 285.706 2.099 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)o1 ZINC000230644616 639775986 /nfs/dbraw/zinc/77/59/86/639775986.db2.gz VCLPSKDJGAFRAJ-SNVBAGLBSA-N 1 2 269.345 2.158 10 0 CEAELO CCC[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000173340181 639851049 /nfs/dbraw/zinc/85/10/49/639851049.db2.gz AIXQDUIEPHIMSD-UKRRQHHQSA-N 1 2 290.411 2.163 10 0 CEAELO CCC[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000173340181 639851055 /nfs/dbraw/zinc/85/10/55/639851055.db2.gz AIXQDUIEPHIMSD-UKRRQHHQSA-N 1 2 290.411 2.163 10 0 CEAELO C[C@H](NC(=O)c1cc(N)ccc1Cl)c1[nH+]ccn1C ZINC000082289339 177948532 /nfs/dbraw/zinc/94/85/32/177948532.db2.gz UIMVEHAVELFPRI-QMMMGPOBSA-N 1 2 278.743 2.147 10 0 CEAELO [NH3+][C@@H](c1noc(C(F)F)n1)c1ccc(F)cc1F ZINC000095532976 185005625 /nfs/dbraw/zinc/00/56/25/185005625.db2.gz UVFAGMDHCFYIBP-SSDOTTSWSA-N 1 2 261.178 2.334 10 0 CEAELO Nc1cn(Cc2cc(Br)cs2)c[nH+]1 ZINC000725249151 539193897 /nfs/dbraw/zinc/19/38/97/539193897.db2.gz PKERQMNLQFESOI-UHFFFAOYSA-N 1 2 258.144 2.338 10 0 CEAELO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058615545 343646271 /nfs/dbraw/zinc/64/62/71/343646271.db2.gz KXCZISUTLFHENT-MGPQQGTHSA-N 1 2 282.428 2.275 10 0 CEAELO COc1c(N)[nH+]cnc1N1CCCC(C)(C)CC1 ZINC000134908320 344378479 /nfs/dbraw/zinc/37/84/79/344378479.db2.gz OOXBILHMJRROBX-UHFFFAOYSA-N 1 2 250.346 2.084 10 0 CEAELO COc1c(N)nc[nH+]c1N1CCCC(C)(C)CC1 ZINC000134908320 344378482 /nfs/dbraw/zinc/37/84/82/344378482.db2.gz OOXBILHMJRROBX-UHFFFAOYSA-N 1 2 250.346 2.084 10 0 CEAELO CCOC(=[NH2+])CCCN1C(=O)c2ccccc2C1=O ZINC000147487887 344412325 /nfs/dbraw/zinc/41/23/25/344412325.db2.gz CLLLBPXBSMKSGI-UHFFFAOYSA-N 1 2 260.293 2.077 10 0 CEAELO CC(C)c1nnc(C[N@@H+]2CCS[C@@H](C)CC2)n1C ZINC000192181656 344516659 /nfs/dbraw/zinc/51/66/59/344516659.db2.gz SYHVGBPTAOJCHE-NSHDSACASA-N 1 2 268.430 2.266 10 0 CEAELO CC(C)c1nnc(C[N@H+]2CCS[C@@H](C)CC2)n1C ZINC000192181656 344516662 /nfs/dbraw/zinc/51/66/62/344516662.db2.gz SYHVGBPTAOJCHE-NSHDSACASA-N 1 2 268.430 2.266 10 0 CEAELO NC(=[NH2+])c1cc(Br)c(Br)o1 ZINC000050358826 362415268 /nfs/dbraw/zinc/41/52/68/362415268.db2.gz LSIHZWDFASOICH-UHFFFAOYSA-N 1 2 267.908 2.089 10 0 CEAELO CCc1ccc(NC(=O)Cc2cccc3[nH+]ccn32)cn1 ZINC000584605185 344963780 /nfs/dbraw/zinc/96/37/80/344963780.db2.gz HSUXFBISHZYJPC-UHFFFAOYSA-N 1 2 280.331 2.473 10 0 CEAELO O=C(NC(C1CC1)C1CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177378319 232352920 /nfs/dbraw/zinc/35/29/20/232352920.db2.gz YVRKFGBLNIHBKF-CQSZACIVSA-N 1 2 288.395 2.246 10 0 CEAELO C[C@@H]1C[S@](=O)C[C@H](c2ccc(Br)s2)[NH2+]1 ZINC000085312039 179013845 /nfs/dbraw/zinc/01/38/45/179013845.db2.gz CGALFJFKLMDEFR-CZQYDQBASA-N 1 2 294.239 2.292 10 0 CEAELO CCC(=O)[C@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000085682108 179114180 /nfs/dbraw/zinc/11/41/80/179114180.db2.gz SYQVLFFXUHGGGB-NSHDSACASA-N 1 2 277.364 2.430 10 0 CEAELO CCC(=O)[C@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000085682108 179114181 /nfs/dbraw/zinc/11/41/81/179114181.db2.gz SYQVLFFXUHGGGB-NSHDSACASA-N 1 2 277.364 2.430 10 0 CEAELO CN(C)c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c[nH+]1 ZINC000085632790 179108590 /nfs/dbraw/zinc/10/85/90/179108590.db2.gz CYPQHWTZCVMVIM-BNOWGMLFSA-N 1 2 261.369 2.373 10 0 CEAELO CCCNc1nc(C[NH+](C)C)nc(C)c1Br ZINC000085801257 179173850 /nfs/dbraw/zinc/17/38/50/179173850.db2.gz QTOPZHGBKZYVSR-UHFFFAOYSA-N 1 2 287.205 2.431 10 0 CEAELO COc1ccc2[nH]c(Cc3csc(N)n3)[nH+]c2c1 ZINC000086575954 179308535 /nfs/dbraw/zinc/30/85/35/179308535.db2.gz UWCPTWUSEZQPGZ-UHFFFAOYSA-N 1 2 260.322 2.201 10 0 CEAELO CCCCC[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000130271712 365938462 /nfs/dbraw/zinc/93/84/62/365938462.db2.gz IHUQQHFOVAKITK-LSDHHAIUSA-N 1 2 284.444 2.286 10 0 CEAELO CCCCC[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000130271712 365938466 /nfs/dbraw/zinc/93/84/66/365938466.db2.gz IHUQQHFOVAKITK-LSDHHAIUSA-N 1 2 284.444 2.286 10 0 CEAELO COC(=O)[C@H]([NH2+]Cc1cn(C)c2ccccc12)C(C)C ZINC000086806774 179339750 /nfs/dbraw/zinc/33/97/50/179339750.db2.gz VWZGVOHJJNLTOW-OAHLLOKOSA-N 1 2 274.364 2.466 10 0 CEAELO Nc1nn(-c2cc[nH+]cc2Cl)cc1Br ZINC000086840328 179351590 /nfs/dbraw/zinc/35/15/90/179351590.db2.gz DUFXNXXZLPBXNH-UHFFFAOYSA-N 1 2 273.521 2.265 10 0 CEAELO CCS(=O)(=O)CCC[NH2+]c1ccc(OC)cc1C ZINC000086974387 179371239 /nfs/dbraw/zinc/37/12/39/179371239.db2.gz DFBAFCJETCHKCR-UHFFFAOYSA-N 1 2 271.382 2.240 10 0 CEAELO Nc1ccc(NC(=O)c2c(F)cc(F)cc2F)c[nH+]1 ZINC000086997929 179377318 /nfs/dbraw/zinc/37/73/18/179377318.db2.gz XPPLDRUOEKVEJZ-UHFFFAOYSA-N 1 2 267.210 2.333 10 0 CEAELO CNc1nc(N(C)[C@H]2CCSC2)c(Cl)c[nH+]1 ZINC000087809730 179489772 /nfs/dbraw/zinc/48/97/72/179489772.db2.gz KQPHPKOVCGVMFZ-ZETCQYMHSA-N 1 2 258.778 2.113 10 0 CEAELO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccccc2N)C1 ZINC000616628587 348540138 /nfs/dbraw/zinc/54/01/38/348540138.db2.gz AUQFIRAFHVPYEJ-CYBMUJFWSA-N 1 2 277.368 2.150 10 0 CEAELO CC(C)(C)OC(=O)N1CCO[C@@H](Nc2cccc[nH+]2)C1 ZINC000616645009 348545243 /nfs/dbraw/zinc/54/52/43/348545243.db2.gz RQNSUIRIPIXNCR-GFCCVEGCSA-N 1 2 279.340 2.087 10 0 CEAELO [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616679298 348558093 /nfs/dbraw/zinc/55/80/93/348558093.db2.gz FXWQQFBIFLUTGF-QGZVFWFLSA-N 1 2 296.370 2.291 10 0 CEAELO [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616679298 348558095 /nfs/dbraw/zinc/55/80/95/348558095.db2.gz FXWQQFBIFLUTGF-QGZVFWFLSA-N 1 2 296.370 2.291 10 0 CEAELO CCCn1c2ccncc2nc1-c1cc[nH+]c(N)c1 ZINC000088865404 179684907 /nfs/dbraw/zinc/68/49/07/179684907.db2.gz QHISLWBOUXKNMY-UHFFFAOYSA-N 1 2 253.309 2.486 10 0 CEAELO CCCn1cncc1-c1[nH+]c2cc(C)ccn2c1N ZINC000090204786 179930608 /nfs/dbraw/zinc/93/06/08/179930608.db2.gz XUTJPZLEPDOZKM-UHFFFAOYSA-N 1 2 255.325 2.498 10 0 CEAELO CCC[NH2+][C@@](CO[C@@H](C)C(F)(F)F)(C(=O)OC)C1CC1 ZINC000090674461 180021453 /nfs/dbraw/zinc/02/14/53/180021453.db2.gz NWBOREMHCYLFHG-JOYOIKCWSA-N 1 2 297.317 2.275 10 0 CEAELO Nc1[nH+]cccc1OC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879010 180052729 /nfs/dbraw/zinc/05/27/29/180052729.db2.gz LYZHAWUHHASQKU-NSHDSACASA-N 1 2 260.268 2.185 10 0 CEAELO CC[C@H](C)[C@H]([NH2+]Cc1sccc1N)C(=O)OC ZINC000090959917 180075394 /nfs/dbraw/zinc/07/53/94/180075394.db2.gz SQWQNXZZFKOBNB-KWQFWETISA-N 1 2 256.371 2.008 10 0 CEAELO CCn1ccc(C[NH2+][C@H](CC(C)C)C(=O)OC)c1 ZINC000091010779 180086103 /nfs/dbraw/zinc/08/61/03/180086103.db2.gz FWKAWUDCWRWXLW-CYBMUJFWSA-N 1 2 252.358 2.185 10 0 CEAELO O=Cc1cn(Cc2[nH+]ccn2C(F)F)c2ncccc12 ZINC000091017244 180087166 /nfs/dbraw/zinc/08/71/66/180087166.db2.gz SYQOPILJRCHYGT-UHFFFAOYSA-N 1 2 276.246 2.489 10 0 CEAELO CC[N@H+](Cc1c[nH+]cn1C(C)C)C(C)(C)C(=O)[O-] ZINC000091274009 180118649 /nfs/dbraw/zinc/11/86/49/180118649.db2.gz XBIOVJLQFBILRH-UHFFFAOYSA-N 1 2 253.346 2.149 10 0 CEAELO CC[N@@H+](Cc1c[nH+]cn1C(C)C)C(C)(C)C(=O)[O-] ZINC000091274009 180118650 /nfs/dbraw/zinc/11/86/50/180118650.db2.gz XBIOVJLQFBILRH-UHFFFAOYSA-N 1 2 253.346 2.149 10 0 CEAELO C[N@@H+]1CCO[C@H](CNc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000091673822 180225560 /nfs/dbraw/zinc/22/55/60/180225560.db2.gz ZAEAXDTVLLCGFD-ZCFIWIBFSA-N 1 2 296.239 2.125 10 0 CEAELO C[N@H+]1CCO[C@H](CNc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000091673822 180225561 /nfs/dbraw/zinc/22/55/61/180225561.db2.gz ZAEAXDTVLLCGFD-ZCFIWIBFSA-N 1 2 296.239 2.125 10 0 CEAELO C[NH+](C)Cc1noc(-c2ccc(N)c(Cl)c2)n1 ZINC000091685495 180226704 /nfs/dbraw/zinc/22/67/04/180226704.db2.gz UNUKZAAVNIJTBO-UHFFFAOYSA-N 1 2 252.705 2.034 10 0 CEAELO Cc1cc(N)nc(SCc2nc(-c3ccoc3)no2)[nH+]1 ZINC000105572607 186063513 /nfs/dbraw/zinc/06/35/13/186063513.db2.gz NTLYCZMSKZONBQ-UHFFFAOYSA-N 1 2 289.320 2.303 10 0 CEAELO O=C1CCCc2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722397 180240960 /nfs/dbraw/zinc/24/09/60/180240960.db2.gz NMROVYNIEBILTD-BXKDBHETSA-N 1 2 278.377 2.198 10 0 CEAELO O=C1CCCc2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722397 180240962 /nfs/dbraw/zinc/24/09/62/180240962.db2.gz NMROVYNIEBILTD-BXKDBHETSA-N 1 2 278.377 2.198 10 0 CEAELO CC[N@@H+]1CCO[C@H](COc2ccc(C)cc2C(C)=O)C1 ZINC000092056600 180314607 /nfs/dbraw/zinc/31/46/07/180314607.db2.gz JIRGVEQWZVDRDA-AWEZNQCLSA-N 1 2 277.364 2.297 10 0 CEAELO CC[N@H+]1CCO[C@H](COc2ccc(C)cc2C(C)=O)C1 ZINC000092056600 180314608 /nfs/dbraw/zinc/31/46/08/180314608.db2.gz JIRGVEQWZVDRDA-AWEZNQCLSA-N 1 2 277.364 2.297 10 0 CEAELO CC[N@@H+]1CCO[C@@H](COc2ccc(Cl)cc2C=O)C1 ZINC000092056954 180314630 /nfs/dbraw/zinc/31/46/30/180314630.db2.gz AWRSOOJHVAEZHY-CYBMUJFWSA-N 1 2 283.755 2.252 10 0 CEAELO CC[N@H+]1CCO[C@@H](COc2ccc(Cl)cc2C=O)C1 ZINC000092056954 180314631 /nfs/dbraw/zinc/31/46/31/180314631.db2.gz AWRSOOJHVAEZHY-CYBMUJFWSA-N 1 2 283.755 2.252 10 0 CEAELO CC[N@@H+]1CCO[C@@H](CSc2cccc(C=O)c2)C1 ZINC000092080058 180318538 /nfs/dbraw/zinc/31/85/38/180318538.db2.gz 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NTKBUUUXSZSMLY-UHFFFAOYSA-N 1 2 292.427 2.204 10 0 CEAELO CCCNc1cccc(C[N@@H+](C)CC(=O)N(CC)CC)n1 ZINC000092369689 180370150 /nfs/dbraw/zinc/37/01/50/180370150.db2.gz NTKBUUUXSZSMLY-UHFFFAOYSA-N 1 2 292.427 2.204 10 0 CEAELO CCOC(=O)[C@H]1CCCCN1Cc1cccc(NC)[nH+]1 ZINC000092368561 180370168 /nfs/dbraw/zinc/37/01/68/180370168.db2.gz WAICEXKCGCBZHE-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO Cc1cccc(CN2c3ccccc3C[NH2+][C@H](C)C2=O)n1 ZINC000092432471 180384151 /nfs/dbraw/zinc/38/41/51/180384151.db2.gz UXNNKKRENZBNLV-CYBMUJFWSA-N 1 2 281.359 2.415 10 0 CEAELO C[NH+]1CCC(Nc2cc(C(=O)[O-])[nH+]c3ccccc23)CC1 ZINC000109587387 186263694 /nfs/dbraw/zinc/26/36/94/186263694.db2.gz BHSAOKRQOTWIQM-UHFFFAOYSA-N 1 2 285.347 2.439 10 0 CEAELO CCc1[nH+]c(-c2ccc(O)c(OC)c2)nc(N)c1C ZINC000110468066 186298388 /nfs/dbraw/zinc/29/83/88/186298388.db2.gz OGSNIOYEUZUOEQ-UHFFFAOYSA-N 1 2 259.309 2.311 10 0 CEAELO CC[C@@H]1C[N@H+](CCOc2ccccc2C(C)=O)CCN1C ZINC000110728733 186317404 /nfs/dbraw/zinc/31/74/04/186317404.db2.gz MVSUBOBFVIAIJI-OAHLLOKOSA-N 1 2 290.407 2.294 10 0 CEAELO CC[C@@H]1C[N@@H+](CCOc2ccccc2C(C)=O)CCN1C ZINC000110728733 186317406 /nfs/dbraw/zinc/31/74/06/186317406.db2.gz MVSUBOBFVIAIJI-OAHLLOKOSA-N 1 2 290.407 2.294 10 0 CEAELO CCOc1cc(N(CCOC)[C@@H](C)COC)ccc1[NH3+] ZINC000111053725 186348014 /nfs/dbraw/zinc/34/80/14/186348014.db2.gz HJPRCWDXLIMGLO-LBPRGKRZSA-N 1 2 282.384 2.155 10 0 CEAELO CCCOCCOCC[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000111110565 186353275 /nfs/dbraw/zinc/35/32/75/186353275.db2.gz CBRVFUOVOXEMJY-OAHLLOKOSA-N 1 2 289.416 2.140 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)[C@H]1CCOc2ccccc21 ZINC000111184454 186366104 /nfs/dbraw/zinc/36/61/04/186366104.db2.gz UIEHMPPKMCKFCB-NSHDSACASA-N 1 2 269.304 2.169 10 0 CEAELO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCSCC2)o1 ZINC000131131976 366022594 /nfs/dbraw/zinc/02/25/94/366022594.db2.gz UUMIWKVJTHUYGO-NWDGAFQWSA-N 1 2 282.409 2.203 10 0 CEAELO Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c(C)[nH+]1 ZINC000152367107 188013599 /nfs/dbraw/zinc/01/35/99/188013599.db2.gz IIDYUKDUASPFKE-JSGCOSHPSA-N 1 2 277.368 2.371 10 0 CEAELO COCOc1ccc(OC)cc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000156570639 188270380 /nfs/dbraw/zinc/27/03/80/188270380.db2.gz MDYIYXCMYPHGGM-STQMWFEESA-N 1 2 295.379 2.287 10 0 CEAELO COC(=O)[C@@H]1CC[C@H](c2ccc(Cl)cc2)C[NH2+]1 ZINC000079026420 363566885 /nfs/dbraw/zinc/56/68/85/363566885.db2.gz NFWZPPROMRPKHV-JQWIXIFHSA-N 1 2 253.729 2.349 10 0 CEAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)Cc1cnccn1 ZINC000080965698 363691090 /nfs/dbraw/zinc/69/10/90/363691090.db2.gz BLAVYIKVBGRQBX-UONOGXRCSA-N 1 2 298.390 2.174 10 0 CEAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)Cc1cnccn1 ZINC000080965698 363691098 /nfs/dbraw/zinc/69/10/98/363691098.db2.gz BLAVYIKVBGRQBX-UONOGXRCSA-N 1 2 298.390 2.174 10 0 CEAELO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000177055948 189024582 /nfs/dbraw/zinc/02/45/82/189024582.db2.gz BWFCYIRGZMNXQT-VIFPVBQESA-N 1 2 286.322 2.131 10 0 CEAELO CCc1csc([C@H]2CCC[N@H+](Cc3ncnn3C)C2)n1 ZINC000177090008 189028048 /nfs/dbraw/zinc/02/80/48/189028048.db2.gz LJKUAHUGCFNLNB-NSHDSACASA-N 1 2 291.424 2.214 10 0 CEAELO CCc1csc([C@H]2CCC[N@@H+](Cc3ncnn3C)C2)n1 ZINC000177090008 189028049 /nfs/dbraw/zinc/02/80/49/189028049.db2.gz LJKUAHUGCFNLNB-NSHDSACASA-N 1 2 291.424 2.214 10 0 CEAELO C[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1cccs1 ZINC000179151290 189173040 /nfs/dbraw/zinc/17/30/40/189173040.db2.gz GIKUSECPFJNSDF-MNOVXSKESA-N 1 2 284.450 2.363 10 0 CEAELO CCc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000180008017 542259347 /nfs/dbraw/zinc/25/93/47/542259347.db2.gz UOWRDBRCTHDQDQ-CYBMUJFWSA-N 1 2 292.408 2.013 10 0 CEAELO CCc1nn(C)cc1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000180008017 542259352 /nfs/dbraw/zinc/25/93/52/542259352.db2.gz UOWRDBRCTHDQDQ-CYBMUJFWSA-N 1 2 292.408 2.013 10 0 CEAELO Cc1nc(CN(C)c2cc(C(F)(F)F)cc[nH+]2)no1 ZINC000302134587 201357332 /nfs/dbraw/zinc/35/73/32/201357332.db2.gz CWUQQVHJEPLRMK-UHFFFAOYSA-N 1 2 272.230 2.428 10 0 CEAELO CCn1ccnc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483313 364946888 /nfs/dbraw/zinc/94/68/88/364946888.db2.gz QPLUICJVRIKFNY-ZDUSSCGKSA-N 1 2 259.357 2.353 10 0 CEAELO CCn1ccnc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483313 364946895 /nfs/dbraw/zinc/94/68/95/364946895.db2.gz QPLUICJVRIKFNY-ZDUSSCGKSA-N 1 2 259.357 2.353 10 0 CEAELO Cc1nnc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)n1C1CC1 ZINC000114484432 364948498 /nfs/dbraw/zinc/94/84/98/364948498.db2.gz HFNARSQZTLFYST-CQSZACIVSA-N 1 2 286.383 2.372 10 0 CEAELO Cc1nnc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)n1C1CC1 ZINC000114484432 364948507 /nfs/dbraw/zinc/94/85/07/364948507.db2.gz HFNARSQZTLFYST-CQSZACIVSA-N 1 2 286.383 2.372 10 0 CEAELO COC(=O)c1coc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000245387291 370809925 /nfs/dbraw/zinc/80/99/25/370809925.db2.gz WBUZCLMFCVLVAU-KGLIPLIRSA-N 1 2 279.336 2.210 10 0 CEAELO COC(=O)c1coc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000245387291 370809929 /nfs/dbraw/zinc/80/99/29/370809929.db2.gz WBUZCLMFCVLVAU-KGLIPLIRSA-N 1 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CC(=O)N[C@H]1CCC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000182990656 368604793 /nfs/dbraw/zinc/60/47/93/368604793.db2.gz LOSQFIBRDQQYQB-LBPRGKRZSA-N 1 2 281.425 2.367 10 0 CEAELO Cc1ccc(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)[nH+]1 ZINC000185252832 368776351 /nfs/dbraw/zinc/77/63/51/368776351.db2.gz ILPBBUQGKINOES-KBPBESRZSA-N 1 2 270.332 2.150 10 0 CEAELO COC(=O)[C@]1(C)CCCN1Cc1c[nH+]c2c(C)cccn12 ZINC000189993720 369585638 /nfs/dbraw/zinc/58/56/38/369585638.db2.gz SORYHGJHTOBMMU-INIZCTEOSA-N 1 2 287.363 2.170 10 0 CEAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000189994606 369586080 /nfs/dbraw/zinc/58/60/80/369586080.db2.gz SPSIOPXYRRSNIJ-QGZVFWFLSA-N 1 2 287.359 2.490 10 0 CEAELO COC(=O)[C@@]1(C)CCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000189994606 369586085 /nfs/dbraw/zinc/58/60/85/369586085.db2.gz SPSIOPXYRRSNIJ-QGZVFWFLSA-N 1 2 287.359 2.490 10 0 CEAELO COC1CC[NH+](Cc2cc(Br)no2)CC1 ZINC000276558528 193379585 /nfs/dbraw/zinc/37/95/85/193379585.db2.gz LLKYBFGYFDSKSW-UHFFFAOYSA-N 1 2 275.146 2.048 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/nfs/dbraw/zinc/12/43/00/371124300.db2.gz PRKKKVCYOSEHBX-WFASDCNBSA-N 1 2 280.416 2.242 10 0 CEAELO C[C@@]1(c2ccccc2)CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000261856558 371751476 /nfs/dbraw/zinc/75/14/76/371751476.db2.gz AAFSGSLPJZSACX-UKRRQHHQSA-N 1 2 294.345 2.174 10 0 CEAELO CCC[C@]1([NH2+]Cc2nnsc2Cl)CCOC1 ZINC000390453497 375312482 /nfs/dbraw/zinc/31/24/82/375312482.db2.gz BLJKNOLMCYYQKF-JTQLQIEISA-N 1 2 261.778 2.240 10 0 CEAELO CC(C)n1nnnc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000174186875 249326139 /nfs/dbraw/zinc/32/61/39/249326139.db2.gz UMPOKDSJUBHKFJ-UHFFFAOYSA-N 1 2 277.294 2.028 10 0 CEAELO Cc1nc(N2C[C@@H](CO)CC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302071684 379319608 /nfs/dbraw/zinc/31/96/08/379319608.db2.gz FHFQIJAWVNYUKO-AAEUAGOBSA-N 1 2 275.396 2.261 10 0 CEAELO CCc1cc(N2CCO[C@H]3CCCC[C@@H]32)nc(C)[nH+]1 ZINC000302104205 379322431 /nfs/dbraw/zinc/32/24/31/379322431.db2.gz REZBMYBLBIKBGC-KBPBESRZSA-N 1 2 261.369 2.495 10 0 CEAELO C[C@H]1COC2(CCN(c3[nH]c4ccccc4[nH+]3)CC2)O1 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C[C@H]1C[N@@H+]([C@H]2CCN(c3ccccc3F)C2=O)CCS1 ZINC000246520979 131094524 /nfs/dbraw/zinc/09/45/24/131094524.db2.gz FAUVCQRCLZFADR-FZMZJTMJSA-N 1 2 294.395 2.368 10 0 CEAELO C[C@H]1C[N@H+]([C@H]2CCN(c3ccccc3F)C2=O)CCS1 ZINC000246520979 131094526 /nfs/dbraw/zinc/09/45/26/131094526.db2.gz FAUVCQRCLZFADR-FZMZJTMJSA-N 1 2 294.395 2.368 10 0 CEAELO O=C1C[NH2+]CCN1c1cccc(Oc2ccccc2)c1 ZINC000083880771 135031391 /nfs/dbraw/zinc/03/13/91/135031391.db2.gz KTAFHYJVSGOVHJ-UHFFFAOYSA-N 1 2 268.316 2.415 10 0 CEAELO NC(=O)c1cc(N)ccc1[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000087782969 135051553 /nfs/dbraw/zinc/05/15/53/135051553.db2.gz NBCABWZVKOOMSW-MFKMUULPSA-N 1 2 259.353 2.137 10 0 CEAELO NC(=O)c1cc(N)ccc1[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000087782969 135051556 /nfs/dbraw/zinc/05/15/56/135051556.db2.gz NBCABWZVKOOMSW-MFKMUULPSA-N 1 2 259.353 2.137 10 0 CEAELO C[C@@H]1C(=O)CC[N@H+](c2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000093035275 135078338 /nfs/dbraw/zinc/07/83/38/135078338.db2.gz JDTMGORYGCOZCE-KBPBESRZSA-N 1 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395457902 /nfs/dbraw/zinc/45/79/02/395457902.db2.gz CVLHTNLUZVQEIC-UHFFFAOYSA-N 1 2 271.368 2.419 10 0 CEAELO [NH2+]=C(NO)c1nccc2cc(Br)ccc21 ZINC000575436261 395664235 /nfs/dbraw/zinc/66/42/35/395664235.db2.gz BQXDDYFXMRBRBQ-UHFFFAOYSA-N 1 2 266.098 2.301 10 0 CEAELO Cn1c[nH+]cc1[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000217068460 400307218 /nfs/dbraw/zinc/30/72/18/400307218.db2.gz JGWVZXQGRVTOGX-ZDUSSCGKSA-N 1 2 295.383 2.101 10 0 CEAELO CCn1cc([C@H]2C[N@H+](CCCOC(C)C)CCO2)cn1 ZINC000190790953 153143087 /nfs/dbraw/zinc/14/30/87/153143087.db2.gz MNNDZEWMWDFTFT-OAHLLOKOSA-N 1 2 281.400 2.091 10 0 CEAELO CCn1cc([C@H]2C[N@@H+](CCCOC(C)C)CCO2)cn1 ZINC000190790953 153143093 /nfs/dbraw/zinc/14/30/93/153143093.db2.gz MNNDZEWMWDFTFT-OAHLLOKOSA-N 1 2 281.400 2.091 10 0 CEAELO C[C@H](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000194844750 153266235 /nfs/dbraw/zinc/26/62/35/153266235.db2.gz GTROSFUDNDURBI-UKRRQHHQSA-N 1 2 282.428 2.040 10 0 CEAELO C[C@H](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000194844750 153266238 /nfs/dbraw/zinc/26/62/38/153266238.db2.gz GTROSFUDNDURBI-UKRRQHHQSA-N 1 2 282.428 2.040 10 0 CEAELO CCc1nnc(C[N@@H+](CC)Cc2ccccc2)n1C ZINC000195010581 153273551 /nfs/dbraw/zinc/27/35/51/153273551.db2.gz ZGSDFUNYVIIWTF-UHFFFAOYSA-N 1 2 258.369 2.400 10 0 CEAELO CCc1nnc(C[N@H+](CC)Cc2ccccc2)n1C ZINC000195010581 153273557 /nfs/dbraw/zinc/27/35/57/153273557.db2.gz ZGSDFUNYVIIWTF-UHFFFAOYSA-N 1 2 258.369 2.400 10 0 CEAELO CC(C)CCOC1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC000195083639 153275867 /nfs/dbraw/zinc/27/58/67/153275867.db2.gz QGFQBDJVCJUHJD-UHFFFAOYSA-N 1 2 295.431 2.281 10 0 CEAELO COCC[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195397929 153288644 /nfs/dbraw/zinc/28/86/44/153288644.db2.gz NPEBVJSZKKFSQG-NSHDSACASA-N 1 2 284.425 2.460 10 0 CEAELO COCC[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195397929 153288649 /nfs/dbraw/zinc/28/86/49/153288649.db2.gz NPEBVJSZKKFSQG-NSHDSACASA-N 1 2 284.425 2.460 10 0 CEAELO CC(C)c1csc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)n1 ZINC000262996166 154004694 /nfs/dbraw/zinc/00/46/94/154004694.db2.gz OHHYHWVKVLXLDZ-SSDOTTSWSA-N 1 2 275.324 2.202 10 0 CEAELO Cc1cn2c([nH+]1)[C@@H](CNc1cccc(C(=O)[O-])[nH+]1)CCC2 ZINC000263437683 154087834 /nfs/dbraw/zinc/08/78/34/154087834.db2.gz VWJUBBITXQFOGP-LLVKDONJSA-N 1 2 286.335 2.274 10 0 CEAELO COC(=O)[C@@H](C1CC1)[NH+]1CCC(c2nccs2)CC1 ZINC000359592152 155070372 /nfs/dbraw/zinc/07/03/72/155070372.db2.gz XLLKXSRVLSRSFJ-GFCCVEGCSA-N 1 2 280.393 2.274 10 0 CEAELO CCc1ccc(C[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173681208 165077804 /nfs/dbraw/zinc/07/78/04/165077804.db2.gz NBSRMQQNJKGUGH-OAHLLOKOSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1ccc(C[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173681208 165077807 /nfs/dbraw/zinc/07/78/07/165077807.db2.gz NBSRMQQNJKGUGH-OAHLLOKOSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1ccc(C[N@@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173681208 165077810 /nfs/dbraw/zinc/07/78/10/165077810.db2.gz NBSRMQQNJKGUGH-OAHLLOKOSA-N 1 2 286.379 2.249 10 0 CEAELO CCc1ccc(C[N@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173681208 165077812 /nfs/dbraw/zinc/07/78/12/165077812.db2.gz NBSRMQQNJKGUGH-OAHLLOKOSA-N 1 2 286.379 2.249 10 0 CEAELO Cc1cc(C[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c(C)s1 ZINC000173675560 165079470 /nfs/dbraw/zinc/07/94/70/165079470.db2.gz FNHPYGNUWMOVMH-CYBMUJFWSA-N 1 2 292.408 2.365 10 0 CEAELO Cc1cc(C[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c(C)s1 ZINC000173675560 165079475 /nfs/dbraw/zinc/07/94/75/165079475.db2.gz FNHPYGNUWMOVMH-CYBMUJFWSA-N 1 2 292.408 2.365 10 0 CEAELO Cc1cc(C[N@@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c(C)s1 ZINC000173675560 165079477 /nfs/dbraw/zinc/07/94/77/165079477.db2.gz FNHPYGNUWMOVMH-CYBMUJFWSA-N 1 2 292.408 2.365 10 0 CEAELO Cc1cc(C[N@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c(C)s1 ZINC000173675560 165079482 /nfs/dbraw/zinc/07/94/82/165079482.db2.gz FNHPYGNUWMOVMH-CYBMUJFWSA-N 1 2 292.408 2.365 10 0 CEAELO Cc1nc(C)c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000177767478 165207550 /nfs/dbraw/zinc/20/75/50/165207550.db2.gz GBSQPWAHLIYKFV-GFCCVEGCSA-N 1 2 290.392 2.261 10 0 CEAELO CC[NH+](CC)CC(=O)n1c2ccccc2nc1C(C)=O ZINC000010151344 170398429 /nfs/dbraw/zinc/39/84/29/170398429.db2.gz QJJUAPWMVVDSAC-UHFFFAOYSA-N 1 2 273.336 2.221 10 0 CEAELO [NH3+]Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000022148609 171357581 /nfs/dbraw/zinc/35/75/81/171357581.db2.gz QDYAXEJKCZNRLN-UHFFFAOYSA-N 1 2 280.324 2.085 10 0 CEAELO C[C@H](Nc1cc(C(N)=S)cc[nH+]1)c1ccccn1 ZINC000035695219 172363621 /nfs/dbraw/zinc/36/36/21/172363621.db2.gz UXWFFRWZYMMJDJ-VIFPVBQESA-N 1 2 258.350 2.284 10 0 CEAELO [NH3+][C@H](c1noc(C2CC2)n1)c1c(F)cccc1F ZINC000036764226 172683885 /nfs/dbraw/zinc/68/38/85/172683885.db2.gz SNHIOVSQXKXZIU-JTQLQIEISA-N 1 2 251.236 2.273 10 0 CEAELO CC(=O)Nc1nc(CSc2ccc(N)[nH+]c2)cs1 ZINC000037192317 173020877 /nfs/dbraw/zinc/02/08/77/173020877.db2.gz UZOCIAGCMYUMPC-UHFFFAOYSA-N 1 2 280.378 2.371 10 0 CEAELO CC(C)c1[nH+]c2cc(C(=O)[O-])ccc2n1CC[NH+](C)C ZINC000037309411 173111666 /nfs/dbraw/zinc/11/16/66/173111666.db2.gz GTPCIUGOOPQPRA-UHFFFAOYSA-N 1 2 275.352 2.420 10 0 CEAELO C[NH+](C)CC(=O)c1ccc(I)cc1 ZINC000037333614 173134756 /nfs/dbraw/zinc/13/47/56/173134756.db2.gz GHHVWYAHKRHPHQ-UHFFFAOYSA-N 1 2 289.116 2.036 10 0 CEAELO CN(Cc1[nH+]ccn1C)C(=O)c1c[nH]c2ccccc21 ZINC000037495026 173234666 /nfs/dbraw/zinc/23/46/66/173234666.db2.gz URYPYZYWNVYIQL-UHFFFAOYSA-N 1 2 268.320 2.174 10 0 CEAELO CCOC(=O)C1([NH2+][C@H](C)CC)Cc2ccccc2C1 ZINC000038067986 174080043 /nfs/dbraw/zinc/08/00/43/174080043.db2.gz CMBQYEIDQDMDFM-GFCCVEGCSA-N 1 2 261.365 2.475 10 0 CEAELO CCOC1CC[NH+](Cc2nc3ccc(N)cc3[nH]2)CC1 ZINC000040678404 174374800 /nfs/dbraw/zinc/37/48/00/174374800.db2.gz HNVRNKVTDGPOGK-UHFFFAOYSA-N 1 2 274.368 2.146 10 0 CEAELO CCN(c1ccccc1)c1nc[nH+]c(N(C)C)c1N ZINC000040679470 174374943 /nfs/dbraw/zinc/37/49/43/174374943.db2.gz BCIVHYSXIJLWTL-UHFFFAOYSA-N 1 2 257.341 2.283 10 0 CEAELO Nc1c(NCc2cccnc2)nc[nH+]c1N1CCCCCC1 ZINC000040686458 174375363 /nfs/dbraw/zinc/37/53/63/174375363.db2.gz MOEMZIXYZDYKFS-UHFFFAOYSA-N 1 2 298.394 2.446 10 0 CEAELO COCCNc1nc[nH+]c(Nc2cc(C)ccc2C)c1N ZINC000040704588 174378992 /nfs/dbraw/zinc/37/89/92/174378992.db2.gz OXOMRDZXOOKYFB-UHFFFAOYSA-N 1 2 287.367 2.478 10 0 CEAELO C[N@@H+]1CCC[C@@H](n2c(=O)c3ccsc3[nH]c2=S)C1 ZINC000040715993 174383234 /nfs/dbraw/zinc/38/32/34/174383234.db2.gz ZVYVUUYYLHQFPF-MRVPVSSYSA-N 1 2 281.406 2.013 10 0 CEAELO C[N@H+]1CCC[C@@H](n2c(=O)c3ccsc3[nH]c2=S)C1 ZINC000040715993 174383236 /nfs/dbraw/zinc/38/32/36/174383236.db2.gz ZVYVUUYYLHQFPF-MRVPVSSYSA-N 1 2 281.406 2.013 10 0 CEAELO COc1ccc(CNc2nc[nH+]c(N3CCCC3)c2N)cc1 ZINC000040724285 174386383 /nfs/dbraw/zinc/38/63/83/174386383.db2.gz WLEGRVWERRIRII-UHFFFAOYSA-N 1 2 299.378 2.280 10 0 CEAELO Nc1nc[nH+]c(Nc2ccc(OC(F)(F)F)cc2)c1N ZINC000040724094 174386402 /nfs/dbraw/zinc/38/64/02/174386402.db2.gz ZJAZRTHJTSHHEY-UHFFFAOYSA-N 1 2 285.229 2.283 10 0 CEAELO Nc1[nH+]cnc(Nc2ccc(OC(F)(F)F)cc2)c1N ZINC000040724094 174386404 /nfs/dbraw/zinc/38/64/04/174386404.db2.gz ZJAZRTHJTSHHEY-UHFFFAOYSA-N 1 2 285.229 2.283 10 0 CEAELO CC(=O)c1cc(F)ccc1N1CCn2cc[nH+]c2C1 ZINC000062252837 414760850 /nfs/dbraw/zinc/76/08/50/414760850.db2.gz AKIORXFWJGEQCV-UHFFFAOYSA-N 1 2 259.284 2.245 10 0 CEAELO CC[NH2+][C@](C)(CCN1c2ccccc2C[C@@H]1C)C(=O)OC ZINC000045222706 175330844 /nfs/dbraw/zinc/33/08/44/175330844.db2.gz FZTWPHCILWMGSL-SUMWQHHRSA-N 1 2 290.407 2.369 10 0 CEAELO CC[N@H+](C[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CCCC1 ZINC000045269184 175340564 /nfs/dbraw/zinc/34/05/64/175340564.db2.gz LOIMHIRBIAWMDI-AWEZNQCLSA-N 1 2 256.390 2.092 10 0 CEAELO CC[N@@H+](C[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CCCC1 ZINC000045269184 175340566 /nfs/dbraw/zinc/34/05/66/175340566.db2.gz LOIMHIRBIAWMDI-AWEZNQCLSA-N 1 2 256.390 2.092 10 0 CEAELO Cc1cc2ncc(C[NH2+][C@H](C)c3nccs3)cn2n1 ZINC000070942359 176015033 /nfs/dbraw/zinc/01/50/33/176015033.db2.gz VCRPCUJBSYLXJZ-SNVBAGLBSA-N 1 2 273.365 2.345 10 0 CEAELO CCCOc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070991474 176019694 /nfs/dbraw/zinc/01/96/94/176019694.db2.gz CHNPTUAICOQDRC-UHFFFAOYSA-N 1 2 259.309 2.129 10 0 CEAELO CN(C[C@@H]1CC[N@H+](C)C1)c1c(C[NH3+])c[nH+]c2ccccc21 ZINC000071187565 176060651 /nfs/dbraw/zinc/06/06/51/176060651.db2.gz HQIRLIAFEOCGSW-CYBMUJFWSA-N 1 2 284.407 2.081 10 0 CEAELO CN(C[C@@H]1CC[N@@H+](C)C1)c1c(C[NH3+])c[nH+]c2ccccc21 ZINC000071187565 176060652 /nfs/dbraw/zinc/06/06/52/176060652.db2.gz HQIRLIAFEOCGSW-CYBMUJFWSA-N 1 2 284.407 2.081 10 0 CEAELO CCC[C@@H](COC)n1c2ccc(N)cc2[nH+]c1CO ZINC000079750088 177551322 /nfs/dbraw/zinc/55/13/22/177551322.db2.gz ZERKYKQSVRYROM-NSHDSACASA-N 1 2 263.341 2.098 10 0 CEAELO CC(C)c1nnc(C[NH+]2CCC(c3cc[nH]n3)CC2)n1C ZINC000195506999 278098737 /nfs/dbraw/zinc/09/87/37/278098737.db2.gz SKLWYPDUZBUDIZ-UHFFFAOYSA-N 1 2 288.399 2.041 10 0 CEAELO Cc1cc(C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(C)[nH]1 ZINC000043426506 301079151 /nfs/dbraw/zinc/07/91/51/301079151.db2.gz HTDPWQAEXALCRB-HOCLYGCPSA-N 1 2 276.380 2.458 10 0 CEAELO Cc1cc(C(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(C)[nH]1 ZINC000043426506 301079157 /nfs/dbraw/zinc/07/91/57/301079157.db2.gz HTDPWQAEXALCRB-HOCLYGCPSA-N 1 2 276.380 2.458 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)CC1CCCC1 ZINC000173940425 312684582 /nfs/dbraw/zinc/68/45/82/312684582.db2.gz NFZPNODJCNFVSC-UHFFFAOYSA-N 1 2 256.371 2.008 10 0 CEAELO CCO[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1c(C)noc1C ZINC000253611336 333186023 /nfs/dbraw/zinc/18/60/23/333186023.db2.gz YNIRZMNZOKDPEJ-KFWWJZLASA-N 1 2 280.368 2.060 10 0 CEAELO CCO[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1c(C)noc1C ZINC000253611336 333186024 /nfs/dbraw/zinc/18/60/24/333186024.db2.gz YNIRZMNZOKDPEJ-KFWWJZLASA-N 1 2 280.368 2.060 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+]1CCCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069093822 520052453 /nfs/dbraw/zinc/05/24/53/520052453.db2.gz BJTIKDUACLPZDG-SWLSCSKDSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[NH2+][C@@](C[N@H+]1CCCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069093822 520052461 /nfs/dbraw/zinc/05/24/61/520052461.db2.gz BJTIKDUACLPZDG-SWLSCSKDSA-N 1 2 268.401 2.094 10 0 CEAELO CCCNc1[nH+]cccc1CSCC(=O)OC ZINC000052756405 520195818 /nfs/dbraw/zinc/19/58/18/520195818.db2.gz KYIYIVJACTUCKV-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO CCC(C)(C)[N@H+](C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069446884 521305548 /nfs/dbraw/zinc/30/55/48/521305548.db2.gz MFLDNHCTCHGPQU-OAHLLOKOSA-N 1 2 270.417 2.338 10 0 CEAELO CCC(C)(C)[N@@H+](C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069446884 521305551 /nfs/dbraw/zinc/30/55/51/521305551.db2.gz MFLDNHCTCHGPQU-OAHLLOKOSA-N 1 2 270.417 2.338 10 0 CEAELO Brc1cccc(N2CCn3cc[nH+]c3C2)n1 ZINC000069018454 518220280 /nfs/dbraw/zinc/22/02/80/518220280.db2.gz BVFHPUDBAMDIOX-UHFFFAOYSA-N 1 2 279.141 2.061 10 0 CEAELO CC(C)Cn1cnnc1[C@@H]1[NH2+]CCc2sccc21 ZINC000054526299 519531993 /nfs/dbraw/zinc/53/19/93/519531993.db2.gz FBYPUXFKNGYHEE-GFCCVEGCSA-N 1 2 262.382 2.231 10 0 CEAELO CC(=O)Nc1ccc(Nc2cc[nH+]c(C(N)=S)c2)cc1 ZINC000061812326 519727631 /nfs/dbraw/zinc/72/76/31/519727631.db2.gz BXSLLTLOUSUQOF-UHFFFAOYSA-N 1 2 286.360 2.418 10 0 CEAELO CCC[NH2+][C@@H](CCN1c2ccccc2C[C@@H]1C)C(=O)OC ZINC000062437338 520000604 /nfs/dbraw/zinc/00/06/04/520000604.db2.gz BPVHYAZJXKFDGC-ZFWWWQNUSA-N 1 2 290.407 2.369 10 0 CEAELO CCC[NH2+][C@H](CCn1c(C)[nH+]c2ccccc21)C(=O)[O-] ZINC000062534697 520080070 /nfs/dbraw/zinc/08/00/70/520080070.db2.gz YDTLFPCXHSCRJC-CYBMUJFWSA-N 1 2 275.352 2.188 10 0 CEAELO CC[NH2+][C@@](C[N@H+](C)[C@@H]1CCCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069132392 520149619 /nfs/dbraw/zinc/14/96/19/520149619.db2.gz ZCGCEEULZRWWHM-JGGQBBKZSA-N 1 2 282.428 2.340 10 0 CEAELO CC[NH2+][C@@](C[N@@H+](C)[C@@H]1CCCC[C@@H]1C)(C(=O)[O-])C1CC1 ZINC000069132392 520149625 /nfs/dbraw/zinc/14/96/25/520149625.db2.gz ZCGCEEULZRWWHM-JGGQBBKZSA-N 1 2 282.428 2.340 10 0 CEAELO CC[NH2+][C@@](CN(C)c1cccc(F)c1)(C(=O)OC)C1CC1 ZINC000069231500 520149854 /nfs/dbraw/zinc/14/98/54/520149854.db2.gz RDQMLMGRBFSQNV-MRXNPFEDSA-N 1 2 294.370 2.193 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)N(C)CC(F)(F)F)C(=O)OCC ZINC000068627581 520238731 /nfs/dbraw/zinc/23/87/31/520238731.db2.gz LZGMDAKONYBKFU-CMPLNLGQSA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)n1nc(C)c(C)c1C)C(=O)OC ZINC000068649103 520243470 /nfs/dbraw/zinc/24/34/70/520243470.db2.gz BWAIMKXSVVCSJQ-ZUZCIYMTSA-N 1 2 281.400 2.301 10 0 CEAELO CCCOc1ccc(OCC[C@H]([NH2+]CC)C(=O)OC)cc1 ZINC000062594355 520410613 /nfs/dbraw/zinc/41/06/13/520410613.db2.gz XODFIPQQOOATMD-HNNXBMFYSA-N 1 2 295.379 2.395 10 0 CEAELO CCN(CC(C)C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061537131 520414394 /nfs/dbraw/zinc/41/43/94/520414394.db2.gz LUBJNIOQEIHJNQ-UHFFFAOYSA-N 1 2 280.763 2.193 10 0 CEAELO CCOC(=O)C1CC[NH+](Cc2nc(N)ccc2Cl)CC1 ZINC000061630909 520577803 /nfs/dbraw/zinc/57/78/03/520577803.db2.gz QGCZMFNQPGDYJX-UHFFFAOYSA-N 1 2 297.786 2.092 10 0 CEAELO CCCCOC[C@@]([NH2+]CCC)(C(=O)OC)C1CC1 ZINC000069198045 520804118 /nfs/dbraw/zinc/80/41/18/520804118.db2.gz DAMJSCFKEOZRHX-AWEZNQCLSA-N 1 2 257.374 2.125 10 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2.265 10 0 CEAELO CCOC(=O)[C@@](COCC(C)C)([NH2+]C(C)C)C1CC1 ZINC000069196319 521166796 /nfs/dbraw/zinc/16/67/96/521166796.db2.gz BUMGMGBIXWAUPC-HNNXBMFYSA-N 1 2 271.401 2.369 10 0 CEAELO CCOc1ccc(OCC[C@H]([NH2+]C(C)C)C(=O)OC)cc1 ZINC000062547683 521176831 /nfs/dbraw/zinc/17/68/31/521176831.db2.gz OVQWFNMZTHARRC-HNNXBMFYSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]CCOC)CCC[C@H](C(F)(F)F)C1 ZINC000069385880 521183804 /nfs/dbraw/zinc/18/38/04/521183804.db2.gz HEZVGWJAHPPMDY-CMPLNLGQSA-N 1 2 297.317 2.277 10 0 CEAELO CCOC(=O)[C@H](C)N[C@@H](c1cccs1)c1[nH+]ccn1C ZINC000049371252 521210771 /nfs/dbraw/zinc/21/07/71/521210771.db2.gz PRLUQJZONHHEKG-JQWIXIFHSA-N 1 2 293.392 2.112 10 0 CEAELO CCOC(=O)[C@H](CS[C@@H]1CCC[C@H](C)C1)[NH2+]C ZINC000054695426 521253532 /nfs/dbraw/zinc/25/35/32/521253532.db2.gz WRKLBSHLDIDQAB-TUAOUCFPSA-N 1 2 259.415 2.449 10 0 CEAELO CCOC(=O)[C@](C)(C[C@H](C)n1cc(C)cn1)[NH2+]C1CC1 ZINC000068648980 521323926 /nfs/dbraw/zinc/32/39/26/521323926.db2.gz IRKDWVDWNXRZEO-WFASDCNBSA-N 1 2 279.384 2.216 10 0 CEAELO CCOc1cccc(O[C@H](C)C[C@@](C)([NH2+]C)C(=O)OC)c1 ZINC000068658337 521404583 /nfs/dbraw/zinc/40/45/83/521404583.db2.gz WLAQVBYPPFSCBI-MLGOLLRUSA-N 1 2 295.379 2.394 10 0 CEAELO CCC1(CC)CC[NH+](C[C@]([NH2+]C)(C(=O)[O-])C2CC2)CC1 ZINC000069232544 521687538 /nfs/dbraw/zinc/68/75/38/521687538.db2.gz YNUCBDWZUQBCPQ-MRXNPFEDSA-N 1 2 282.428 2.341 10 0 CEAELO CC[C@@H](C)C[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000054472097 521995306 /nfs/dbraw/zinc/99/53/06/521995306.db2.gz XDMDPHVDVHNLTQ-MRVPVSSYSA-N 1 2 251.355 2.120 10 0 CEAELO CCc1[nH+]c(-c2ccc(OC(F)F)cc2)c(N)n1N ZINC000052838786 522147987 /nfs/dbraw/zinc/14/79/87/522147987.db2.gz DSYIPVAGWNLPHL-UHFFFAOYSA-N 1 2 268.267 2.010 10 0 CEAELO C[NH2+][C@@H](c1ncccn1)c1cc(Cl)ccc1OC ZINC000055224825 522375684 /nfs/dbraw/zinc/37/56/84/522375684.db2.gz QGDVGVKEPXDPOO-GFCCVEGCSA-N 1 2 263.728 2.447 10 0 CEAELO CN(C)c1[nH+]cccc1NC(=O)c1ccc2c[nH]nc2c1 ZINC000061670516 522376530 /nfs/dbraw/zinc/37/65/30/522376530.db2.gz RXASPNGDOFEENB-UHFFFAOYSA-N 1 2 281.319 2.276 10 0 CEAELO C[NH2+][C@H](c1nnc(C2CCOCC2)o1)c1ccccc1 ZINC000061673870 522488098 /nfs/dbraw/zinc/48/80/98/522488098.db2.gz OGWSJURUTBMSMP-ZDUSSCGKSA-N 1 2 273.336 2.272 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)Oc1cccc(OC)c1)C(=O)OC ZINC000068655606 522524081 /nfs/dbraw/zinc/52/40/81/522524081.db2.gz ZWDQELPZCHQSNU-XHDPSFHLSA-N 1 2 281.352 2.004 10 0 CEAELO C[NH2+][C@](CN(C)c1ccc(C)cc1C)(C(=O)OC)C1CC1 ZINC000069231290 522525966 /nfs/dbraw/zinc/52/59/66/522525966.db2.gz FGZJPHWSAZITHL-KRWDZBQOSA-N 1 2 290.407 2.281 10 0 CEAELO CNc1cc(COc2ccc3c(c2)OCO3)cc[nH+]1 ZINC000052755233 522567375 /nfs/dbraw/zinc/56/73/75/522567375.db2.gz LJWVNVJWZCZFSA-UHFFFAOYSA-N 1 2 258.277 2.431 10 0 CEAELO CCn1cc[nH+]c1-n1ccnc1-c1cccc(N)c1 ZINC000050614496 523511355 /nfs/dbraw/zinc/51/13/55/523511355.db2.gz GCKUHYGGIWAAMW-UHFFFAOYSA-N 1 2 253.309 2.338 10 0 CEAELO COC(=O)[C@@H]([NH2+]CCC(=O)c1ccccc1)C(C)C ZINC000062709680 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ZINC000165977624 344475480 /nfs/dbraw/zinc/47/54/80/344475480.db2.gz HAVBWYZASJBFHB-AWEZNQCLSA-N 1 2 285.347 2.355 10 0 CEAELO CCn1cc[nH+]c1CN(C[C@@H](C)O)c1ccccc1 ZINC000170720496 344488546 /nfs/dbraw/zinc/48/85/46/344488546.db2.gz UTIPSWCBPITDEZ-CYBMUJFWSA-N 1 2 259.353 2.290 10 0 CEAELO CC(C)c1ccc(C(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000050132225 362406000 /nfs/dbraw/zinc/40/60/00/362406000.db2.gz BZDMSKMXWQOPDW-UHFFFAOYSA-N 1 2 261.365 2.449 10 0 CEAELO Cc1cc(C(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)c(C)o1 ZINC000328626194 344756516 /nfs/dbraw/zinc/75/65/16/344756516.db2.gz LLZPIIBYNGNXEH-ZDUSSCGKSA-N 1 2 287.363 2.428 10 0 CEAELO COC[C@](C)(O)CNc1[nH+]ccc2c(OC)cccc21 ZINC000382560033 344826288 /nfs/dbraw/zinc/82/62/88/344826288.db2.gz LECFZUBFDCFWRP-OAHLLOKOSA-N 1 2 276.336 2.053 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)n1cc(Cl)c(C)n1)C(=O)OC ZINC000084365242 178873991 /nfs/dbraw/zinc/87/39/91/178873991.db2.gz SBQJFAACALPADN-NOZJJQNGSA-N 1 2 287.791 2.337 10 0 CEAELO COc1cnc([C@H]([NH3+])c2cc3ccccc3o2)c(OC)n1 ZINC000097387121 185595486 /nfs/dbraw/zinc/59/54/86/185595486.db2.gz WURZVPSGQJJJLO-CYBMUJFWSA-N 1 2 285.303 2.288 10 0 CEAELO O=C(CCn1cc[nH+]c1)N1CCCNc2ccccc21 ZINC000085402621 179052231 /nfs/dbraw/zinc/05/22/31/179052231.db2.gz MEFDAPNDTCDQOL-UHFFFAOYSA-N 1 2 270.336 2.122 10 0 CEAELO CNc1c(C(=O)OC)c[nH+]c2c(C)cc(OC)cc12 ZINC000098062594 185680053 /nfs/dbraw/zinc/68/00/53/185680053.db2.gz AGRJMONZXDCPMA-UHFFFAOYSA-N 1 2 260.293 2.380 10 0 CEAELO CC[C@@H](C)c1nc(N)c(I)c(C)[nH+]1 ZINC000085459610 179068887 /nfs/dbraw/zinc/06/88/87/179068887.db2.gz UWDCMPUWGHINHR-RXMQYKEDSA-N 1 2 291.136 2.485 10 0 CEAELO CCN(CC)c1nc(NC)c(Br)c[nH+]1 ZINC000085461878 179069442 /nfs/dbraw/zinc/06/94/42/179069442.db2.gz XQQBQKCLCONHIW-UHFFFAOYSA-N 1 2 259.151 2.127 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085632109 179108829 /nfs/dbraw/zinc/10/88/29/179108829.db2.gz RHQGTGCYFQWNHA-BPNCWPANSA-N 1 2 291.395 2.382 10 0 CEAELO COc1cc([NH2+]C[C@H]2CCCC[C@H]2O)ccc1N ZINC000085966570 179206160 /nfs/dbraw/zinc/20/61/60/179206160.db2.gz OQTKQFWDBVKRME-ZWNOBZJWSA-N 1 2 250.342 2.240 10 0 CEAELO CN(Cc1[nH+]ccn1C)c1nc(Br)cs1 ZINC000086291141 179265271 /nfs/dbraw/zinc/26/52/71/179265271.db2.gz TUJSCDHZJYFIJG-UHFFFAOYSA-N 1 2 287.186 2.276 10 0 CEAELO CCc1nnsc1-c1nnc([C@H]([NH3+])c2ccccc2)o1 ZINC000087457136 179428593 /nfs/dbraw/zinc/42/85/93/179428593.db2.gz IWKUUBOBDWJDNP-SNVBAGLBSA-N 1 2 287.348 2.199 10 0 CEAELO CCn1nc(C[NH+]2CC(O)(C3CC3)C2)c2ccccc21 ZINC000089678481 179845079 /nfs/dbraw/zinc/84/50/79/179845079.db2.gz GWACDBCIPCVXMY-UHFFFAOYSA-N 1 2 271.364 2.013 10 0 CEAELO COC(=O)[C@H]([NH2+]C[C@H]1Cc2cc(Cl)ccc2O1)C(C)C ZINC000090899704 180057905 /nfs/dbraw/zinc/05/79/05/180057905.db2.gz SSXKAOTTXRIIIC-TZMCWYRMSA-N 1 2 297.782 2.431 10 0 CEAELO CCCOc1cc([NH2+]CC2CC(O)C2)ccc1N ZINC000091415952 180149447 /nfs/dbraw/zinc/14/94/47/180149447.db2.gz WKDMSTZRDHOXSM-UHFFFAOYSA-N 1 2 250.342 2.240 10 0 CEAELO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000091499859 180174777 /nfs/dbraw/zinc/17/47/77/180174777.db2.gz JIVSUQAKPFAAMG-NSHDSACASA-N 1 2 273.380 2.032 10 0 CEAELO C[C@@H](C(=O)NC1CCCC1)[N@H+]1Cc2ccc(N)cc2C1 ZINC000091499859 180174778 /nfs/dbraw/zinc/17/47/78/180174778.db2.gz JIVSUQAKPFAAMG-NSHDSACASA-N 1 2 273.380 2.032 10 0 CEAELO CC[C@](C)(C(=O)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000091610650 180204949 /nfs/dbraw/zinc/20/49/49/180204949.db2.gz HLHDTXOMPYEOAS-MRXNPFEDSA-N 1 2 279.355 2.438 10 0 CEAELO CC[C@@](C)(C(=O)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000091610649 180205986 /nfs/dbraw/zinc/20/59/86/180205986.db2.gz HLHDTXOMPYEOAS-INIZCTEOSA-N 1 2 279.355 2.438 10 0 CEAELO O=C(c1ccc(F)cc1F)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714177 180231415 /nfs/dbraw/zinc/23/14/15/180231415.db2.gz ZCFTYQFWYAAMFF-ZWNOBZJWSA-N 1 2 267.275 2.011 10 0 CEAELO O=C(c1ccc(F)cc1F)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091714177 180231417 /nfs/dbraw/zinc/23/14/17/180231417.db2.gz ZCFTYQFWYAAMFF-ZWNOBZJWSA-N 1 2 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C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1cccs1 ZINC000195033906 370098933 /nfs/dbraw/zinc/09/89/33/370098933.db2.gz UVWSYZLHNUWQRB-SNVBAGLBSA-N 1 2 263.366 2.292 10 0 CEAELO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248606059 371221202 /nfs/dbraw/zinc/22/12/02/371221202.db2.gz PBMZEESYOXWLIK-FRRDWIJNSA-N 1 2 257.374 2.121 10 0 CEAELO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000344158986 217080123 /nfs/dbraw/zinc/08/01/23/217080123.db2.gz YLZLWXDQXDOSHK-NWDGAFQWSA-N 1 2 284.425 2.022 10 0 CEAELO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000344158986 217080124 /nfs/dbraw/zinc/08/01/24/217080124.db2.gz YLZLWXDQXDOSHK-NWDGAFQWSA-N 1 2 284.425 2.022 10 0 CEAELO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1cc(F)ccc1F ZINC000645391662 374024543 /nfs/dbraw/zinc/02/45/43/374024543.db2.gz JWRNLDYIBYOQNS-HQJQHLMTSA-N 1 2 290.260 2.139 10 0 CEAELO Cc1noc([C@H]2C[C@H](O)C[N@@H+]2CCCCC(F)(F)F)n1 ZINC000328617434 376864605 /nfs/dbraw/zinc/86/46/05/376864605.db2.gz 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/nfs/dbraw/zinc/05/49/60/135054960.db2.gz BRSLZFZHFBENBL-SNVBAGLBSA-N 1 2 260.259 2.353 10 0 CEAELO CCn1c(C)nnc1C[N@@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000177396452 395150564 /nfs/dbraw/zinc/15/05/64/395150564.db2.gz LOVOOWWJRLLZCB-ZDUSSCGKSA-N 1 2 299.422 2.447 10 0 CEAELO CCn1c(C)nnc1C[N@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000177396452 395150570 /nfs/dbraw/zinc/15/05/70/395150570.db2.gz LOVOOWWJRLLZCB-ZDUSSCGKSA-N 1 2 299.422 2.447 10 0 CEAELO Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1O ZINC000181165713 395210919 /nfs/dbraw/zinc/21/09/19/395210919.db2.gz GTPFLLSUQQCZQH-CQSZACIVSA-N 1 2 285.347 2.202 10 0 CEAELO Cc1cc(CN2CCn3cc[nH+]c3C2)cc(C)c1O ZINC000211388365 400303586 /nfs/dbraw/zinc/30/35/86/400303586.db2.gz IBSKPXUKIFOTQQ-UHFFFAOYSA-N 1 2 257.337 2.221 10 0 CEAELO Fc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cn1 ZINC000189315429 153091999 /nfs/dbraw/zinc/09/19/99/153091999.db2.gz GVYOKBFMZZVUHQ-UHFFFAOYSA-N 1 2 260.316 2.323 10 0 CEAELO FC(F)(F)COCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000193721625 153240403 /nfs/dbraw/zinc/24/04/03/153240403.db2.gz FZSCZOKFQNDROZ-GHMZBOCLSA-N 1 2 267.291 2.209 10 0 CEAELO FC(F)(F)COCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000193721625 153240410 /nfs/dbraw/zinc/24/04/10/153240410.db2.gz FZSCZOKFQNDROZ-GHMZBOCLSA-N 1 2 267.291 2.209 10 0 CEAELO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195508003 153290687 /nfs/dbraw/zinc/29/06/87/153290687.db2.gz OPCSVNMAERUSBQ-GFCCVEGCSA-N 1 2 292.427 2.282 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C)o1 ZINC000230643465 153392466 /nfs/dbraw/zinc/39/24/66/153392466.db2.gz VKKICSYSBBLXBS-NWDGAFQWSA-N 1 2 267.373 2.184 10 0 CEAELO O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262905120 153993947 /nfs/dbraw/zinc/99/39/47/153993947.db2.gz FARHMLWSXUPEAR-LBPRGKRZSA-N 1 2 292.289 2.012 10 0 CEAELO CCC1(CC)CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263035314 154007689 /nfs/dbraw/zinc/00/76/89/154007689.db2.gz SHPWQLHMXNAKBP-SNVBAGLBSA-N 1 2 260.328 2.022 10 0 CEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC(c2ccccc2)CC1 ZINC000263028820 154009471 /nfs/dbraw/zinc/00/94/71/154009471.db2.gz RPRUKRXRTBOPCU-CQSZACIVSA-N 1 2 294.345 2.390 10 0 CEAELO COc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000171859540 165050693 /nfs/dbraw/zinc/05/06/93/165050693.db2.gz AGLSIBVQCOYTJB-UONOGXRCSA-N 1 2 262.353 2.234 10 0 CEAELO COc1cccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000171859540 165050698 /nfs/dbraw/zinc/05/06/98/165050698.db2.gz AGLSIBVQCOYTJB-UONOGXRCSA-N 1 2 262.353 2.234 10 0 CEAELO CCc1nnc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1C ZINC000178667617 165252578 /nfs/dbraw/zinc/25/25/78/165252578.db2.gz QWCOFWURLLCCRU-AWEZNQCLSA-N 1 2 285.395 2.418 10 0 CEAELO CCc1nnc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)n1C ZINC000178667617 165252580 /nfs/dbraw/zinc/25/25/80/165252580.db2.gz QWCOFWURLLCCRU-AWEZNQCLSA-N 1 2 285.395 2.418 10 0 CEAELO O=C(Nc1ccccc1Br)[C@H]1CSC[NH2+]1 ZINC000019518494 170824343 /nfs/dbraw/zinc/82/43/43/170824343.db2.gz MNNPOJNMDOZQFK-SECBINFHSA-N 1 2 287.182 2.050 10 0 CEAELO Cc1cc(S(=O)(=O)Nc2cc[nH+]cc2)cc(N)c1C ZINC000021794765 171324553 /nfs/dbraw/zinc/32/45/53/171324553.db2.gz KAULBHBKWIJLLO-UHFFFAOYSA-N 1 2 277.349 2.081 10 0 CEAELO Cc1cc(N)ccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022152682 171359437 /nfs/dbraw/zinc/35/94/37/171359437.db2.gz XWVYJUCZBJKUGB-FRRDWIJNSA-N 1 2 291.395 2.013 10 0 CEAELO Cc1cc(N)ccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022152682 171359438 /nfs/dbraw/zinc/35/94/38/171359438.db2.gz XWVYJUCZBJKUGB-FRRDWIJNSA-N 1 2 291.395 2.013 10 0 CEAELO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)N(C)C ZINC000035139023 172006667 /nfs/dbraw/zinc/00/66/67/172006667.db2.gz KSDHCGQJWGKLPR-IUODEOHRSA-N 1 2 272.348 2.435 10 0 CEAELO C[C@@H]([NH2+]Cc1cc(C(N)=O)ccc1F)c1ccco1 ZINC000035739334 172393356 /nfs/dbraw/zinc/39/33/56/172393356.db2.gz ASUKTQUXMBDOBW-SECBINFHSA-N 1 2 262.284 2.368 10 0 CEAELO COc1ncnc(OC)c1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000036745762 172674344 /nfs/dbraw/zinc/67/43/44/172674344.db2.gz KQCGGQCLEPUZAI-SNVBAGLBSA-N 1 2 291.326 2.484 10 0 CEAELO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC000038034916 174033221 /nfs/dbraw/zinc/03/32/21/174033221.db2.gz NTPBUHGLLRKKRB-KGLIPLIRSA-N 1 2 299.415 2.062 10 0 CEAELO CCCNC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000040295879 174223765 /nfs/dbraw/zinc/22/37/65/174223765.db2.gz ZVLCKYZWUIUMLV-UHFFFAOYSA-N 1 2 257.337 2.440 10 0 CEAELO CCOc1ccc(Nc2[nH+]cnc(N(C)C)c2N)cc1 ZINC000040723518 174385857 /nfs/dbraw/zinc/38/58/57/174385857.db2.gz VYHJUHUOPBHZJF-UHFFFAOYSA-N 1 2 273.340 2.267 10 0 CEAELO Nc1nc[nH+]c(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040724097 174386667 /nfs/dbraw/zinc/38/66/67/174386667.db2.gz TZMXBIRDPSFWJE-UHFFFAOYSA-N 1 2 269.230 2.403 10 0 CEAELO Nc1[nH+]cnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040724097 174386668 /nfs/dbraw/zinc/38/66/68/174386668.db2.gz TZMXBIRDPSFWJE-UHFFFAOYSA-N 1 2 269.230 2.403 10 0 CEAELO CC(C)CCOCCNc1[nH+]cccc1C(N)=S ZINC000045109732 175309476 /nfs/dbraw/zinc/30/94/76/175309476.db2.gz ZNFKCIHCJCTTMS-UHFFFAOYSA-N 1 2 267.398 2.190 10 0 CEAELO CCn1nc(C)c([C@H](C)[NH2+]Cc2nc(C)no2)c1C ZINC000045171915 175321230 /nfs/dbraw/zinc/32/12/30/175321230.db2.gz WYSMUBDTSCWHDN-QMMMGPOBSA-N 1 2 263.345 2.062 10 0 CEAELO COC(=O)[C@]([NH3+])(CN(C)c1ccccc1)c1ccccc1 ZINC000045227501 175333268 /nfs/dbraw/zinc/33/32/68/175333268.db2.gz WFPJTGVQVXKQPH-KRWDZBQOSA-N 1 2 284.359 2.150 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272044 175342955 /nfs/dbraw/zinc/34/29/55/175342955.db2.gz FNEMLVOCVSJLOH-LZWOXQAQSA-N 1 2 282.428 2.340 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272044 175342957 /nfs/dbraw/zinc/34/29/57/175342957.db2.gz FNEMLVOCVSJLOH-LZWOXQAQSA-N 1 2 282.428 2.340 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045278967 175348981 /nfs/dbraw/zinc/34/89/81/175348981.db2.gz NPMWVXSMJYOCJI-GUTXKFCHSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045278967 175348982 /nfs/dbraw/zinc/34/89/82/175348982.db2.gz NPMWVXSMJYOCJI-GUTXKFCHSA-N 1 2 270.417 2.340 10 0 CEAELO CCC[NH2+][C@H](C[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045419040 175377532 /nfs/dbraw/zinc/37/75/32/175377532.db2.gz HUPHSWYKGWEDRN-CYBMUJFWSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@H](C[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045419040 175377534 /nfs/dbraw/zinc/37/75/34/175377534.db2.gz HUPHSWYKGWEDRN-CYBMUJFWSA-N 1 2 256.390 2.094 10 0 CEAELO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CCC(F)(F)CC1 ZINC000655525451 415328068 /nfs/dbraw/zinc/32/80/68/415328068.db2.gz ITUAQNVTCHLGBC-WCBMZHEXSA-N 1 2 296.308 2.314 10 0 CEAELO Cc1nccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)n1 ZINC000061641012 175651962 /nfs/dbraw/zinc/65/19/62/175651962.db2.gz NMYZHIVDOHGZNU-UHFFFAOYSA-N 1 2 279.347 2.261 10 0 CEAELO Cc1nc(NC2CC(CO)C2)c(Br)c(C)[nH+]1 ZINC000664648264 415440121 /nfs/dbraw/zinc/44/01/21/415440121.db2.gz DIZSMRVQXUPHIN-UHFFFAOYSA-N 1 2 286.173 2.039 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]CCOC)CCC[C@@H](CC)C1 ZINC000071126194 176035711 /nfs/dbraw/zinc/03/57/11/176035711.db2.gz NWNXRWDWFOWRRE-TZMCWYRMSA-N 1 2 257.374 2.125 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]CCOC)CCCC[C@H]1CC ZINC000071162890 176047135 /nfs/dbraw/zinc/04/71/35/176047135.db2.gz IPQDSXRRKDZZBW-TZMCWYRMSA-N 1 2 257.374 2.125 10 0 CEAELO CC[NH2+][C@@H](CCOc1cc(F)ccc1F)C(=O)OCC ZINC000071168522 176049858 /nfs/dbraw/zinc/04/98/58/176049858.db2.gz RKTCUODFXSHYAC-LBPRGKRZSA-N 1 2 287.306 2.275 10 0 CEAELO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265922 176099500 /nfs/dbraw/zinc/09/95/00/176099500.db2.gz JMPDJASSLRBHFR-GXFFZTMASA-N 1 2 296.411 2.459 10 0 CEAELO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265922 176099501 /nfs/dbraw/zinc/09/95/01/176099501.db2.gz JMPDJASSLRBHFR-GXFFZTMASA-N 1 2 296.411 2.459 10 0 CEAELO Nc1[nH+]c2ccccc2cc1Cn1ccsc1=O ZINC000071351219 176134655 /nfs/dbraw/zinc/13/46/55/176134655.db2.gz JUQBJOWZBNNVRL-UHFFFAOYSA-N 1 2 257.318 2.089 10 0 CEAELO CN(C)c1[nH+]cccc1NCc1cnn2ccccc12 ZINC000071372936 176138168 /nfs/dbraw/zinc/13/81/68/176138168.db2.gz WENDBVKZCDRPDV-UHFFFAOYSA-N 1 2 267.336 2.407 10 0 CEAELO Cc1nc(C)c([C@@H](C)Nc2c[nH+]ccc2C)c(=O)[nH]1 ZINC000071413864 176158953 /nfs/dbraw/zinc/15/89/53/176158953.db2.gz YJESZUVQOCOQLP-SNVBAGLBSA-N 1 2 258.325 2.263 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1ccccc1C(F)(F)F ZINC000078723541 177376023 /nfs/dbraw/zinc/37/60/23/177376023.db2.gz TTYWXKRTTZHZOU-UHFFFAOYSA-N 1 2 283.253 2.401 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1ccccc1C(F)(F)F ZINC000078723541 177376024 /nfs/dbraw/zinc/37/60/24/177376024.db2.gz TTYWXKRTTZHZOU-UHFFFAOYSA-N 1 2 283.253 2.401 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cc2ccccc2cc1O ZINC000078811738 177391518 /nfs/dbraw/zinc/39/15/18/177391518.db2.gz UUGYKYZUXQRRNI-UHFFFAOYSA-N 1 2 281.315 2.241 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cc2ccccc2cc1O ZINC000078811738 177391519 /nfs/dbraw/zinc/39/15/19/177391519.db2.gz UUGYKYZUXQRRNI-UHFFFAOYSA-N 1 2 281.315 2.241 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1CCOCC(F)(F)C(F)F ZINC000189377159 270260932 /nfs/dbraw/zinc/26/09/32/270260932.db2.gz WDGQLAQQJLLTDL-RKDXNWHRSA-N 1 2 273.270 2.013 10 0 CEAELO Cc1nnc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3O)[nH]1 ZINC000392427289 270340493 /nfs/dbraw/zinc/34/04/93/270340493.db2.gz XPCQGOFYWXHFJE-QPUJVOFHSA-N 1 2 258.325 2.157 10 0 CEAELO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263307529 278086175 /nfs/dbraw/zinc/08/61/75/278086175.db2.gz YDHKFSJZRYTJHS-XBFCOCLRSA-N 1 2 294.345 2.388 10 0 CEAELO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246138632 280276339 /nfs/dbraw/zinc/27/63/39/280276339.db2.gz NIFKJSAWPJPJNM-DTWKUNHWSA-N 1 2 253.371 2.445 10 0 CEAELO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCS[C@@H](C)C1 ZINC000246138632 280276342 /nfs/dbraw/zinc/27/63/42/280276342.db2.gz NIFKJSAWPJPJNM-DTWKUNHWSA-N 1 2 253.371 2.445 10 0 CEAELO CCC[NH2+][C@](C)(C[C@H](C)N(C)CC(F)(F)F)C(=O)OC ZINC000068627514 520112948 /nfs/dbraw/zinc/11/29/48/520112948.db2.gz QDDPBLVQEHRBOL-CMPLNLGQSA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@](C)(CCSc1cc(C)nn1C)C(=O)OCC ZINC000052312205 520231923 /nfs/dbraw/zinc/23/19/23/520231923.db2.gz NVKBDPRXOKEYJY-CQSZACIVSA-N 1 2 299.440 2.142 10 0 CEAELO CCCO[C@H]1CCC[N@H+](Cc2nnsc2NCC)C1 ZINC000050817971 520287618 /nfs/dbraw/zinc/28/76/18/520287618.db2.gz DJVASODEBYQRTC-NSHDSACASA-N 1 2 284.429 2.361 10 0 CEAELO CCCO[C@H]1CCC[N@@H+](Cc2nnsc2NCC)C1 ZINC000050817971 520287624 /nfs/dbraw/zinc/28/76/24/520287624.db2.gz DJVASODEBYQRTC-NSHDSACASA-N 1 2 284.429 2.361 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccc(C)cc1C)[NH2+]C ZINC000062547790 521059612 /nfs/dbraw/zinc/05/96/12/521059612.db2.gz JGRFLBRLJMAMFX-CYBMUJFWSA-N 1 2 265.353 2.223 10 0 CEAELO CCCC[C@@](CC)([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000069381778 521122494 /nfs/dbraw/zinc/12/24/94/521122494.db2.gz ZEJPZHNIBDWVRA-GXTWGEPZSA-N 1 2 257.374 2.267 10 0 CEAELO CC(C)C[C@H](C)[N@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069140012 519310816 /nfs/dbraw/zinc/31/08/16/519310816.db2.gz ONLWTBOFAYSMJK-BLLLJJGKSA-N 1 2 282.428 2.338 10 0 CEAELO CC(C)C[C@H](C)[N@@H+](C)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069140012 519310821 /nfs/dbraw/zinc/31/08/21/519310821.db2.gz ONLWTBOFAYSMJK-BLLLJJGKSA-N 1 2 282.428 2.338 10 0 CEAELO CC(C)N(CC(F)(F)F)c1cc[nH+]c(C(N)=S)c1 ZINC000061813158 519638766 /nfs/dbraw/zinc/63/87/66/519638766.db2.gz QKADTNOGDOLQPD-UHFFFAOYSA-N 1 2 277.315 2.493 10 0 CEAELO CC(C)[NH2+][C@@](C[N@H+](C)[C@@H](C)C(C)C)(C(=O)[O-])C1CC1 ZINC000069099629 519737083 /nfs/dbraw/zinc/73/70/83/519737083.db2.gz YTRFYUDQZHTQRF-SWLSCSKDSA-N 1 2 270.417 2.194 10 0 CEAELO CC(C)[NH2+][C@@](C[N@@H+](C)[C@@H](C)C(C)C)(C(=O)[O-])C1CC1 ZINC000069099629 519737085 /nfs/dbraw/zinc/73/70/85/519737085.db2.gz YTRFYUDQZHTQRF-SWLSCSKDSA-N 1 2 270.417 2.194 10 0 CEAELO CC(C)[NH2+][C@@](C[N@H+]1C[C@H](C)C[C@H](C)C1)(C(=O)[O-])C1CC1 ZINC000069091847 519737731 /nfs/dbraw/zinc/73/77/31/519737731.db2.gz MRAJDZKIMIDKIV-DVOMOZLQSA-N 1 2 282.428 2.196 10 0 CEAELO CC(C)[NH2+][C@@](C[N@@H+]1C[C@H](C)C[C@H](C)C1)(C(=O)[O-])C1CC1 ZINC000069091847 519737732 /nfs/dbraw/zinc/73/77/32/519737732.db2.gz MRAJDZKIMIDKIV-DVOMOZLQSA-N 1 2 282.428 2.196 10 0 CEAELO CC(C)[NH2+][C@](C[N@@H+]1CCCC(C)(C)C1)(C(=O)[O-])C1CC1 ZINC000069516934 519740582 /nfs/dbraw/zinc/74/05/82/519740582.db2.gz ONEOZQQQQUAVTQ-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CC(C)[NH2+][C@](C[N@H+]1CCCC(C)(C)C1)(C(=O)[O-])C1CC1 ZINC000069516934 519740584 /nfs/dbraw/zinc/74/05/84/519740584.db2.gz ONEOZQQQQUAVTQ-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CCCC1=NN(c2cc(C)ccn2)C(=O)[C@H]1CCC[NH3+] ZINC000069507137 519893952 /nfs/dbraw/zinc/89/39/52/519893952.db2.gz WSHKDVXFMYWRSB-LBPRGKRZSA-N 1 2 274.368 2.248 10 0 CEAELO CCC[NH2+][C@@](C[N@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095827 520047572 /nfs/dbraw/zinc/04/75/72/520047572.db2.gz NGCUSVXRDVXVHT-MRXNPFEDSA-N 1 2 282.428 2.484 10 0 CEAELO CCC[NH2+][C@@](C[N@@H+](C)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000069095827 520047581 /nfs/dbraw/zinc/04/75/81/520047581.db2.gz NGCUSVXRDVXVHT-MRXNPFEDSA-N 1 2 282.428 2.484 10 0 CEAELO CCC[NH2+][C@@](COCC(C)C)(C(=O)OCC)C1CC1 ZINC000069196321 520056244 /nfs/dbraw/zinc/05/62/44/520056244.db2.gz PHUPEBXZAISAKQ-OAHLLOKOSA-N 1 2 271.401 2.371 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc(OC)cc1)C(=O)OCC ZINC000062550593 520092636 /nfs/dbraw/zinc/09/26/36/520092636.db2.gz IGWRIQHGYVGXNE-AWEZNQCLSA-N 1 2 281.352 2.005 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc(OCC)cc1)C(=O)OCC ZINC000062547612 520092779 /nfs/dbraw/zinc/09/27/79/520092779.db2.gz PJYZSHGUGRVEAU-HNNXBMFYSA-N 1 2 295.379 2.395 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc(C)cc1C)C(=O)OC ZINC000062547755 520092866 /nfs/dbraw/zinc/09/28/66/520092866.db2.gz UBJQJPVHSYFJII-ZDUSSCGKSA-N 1 2 265.353 2.223 10 0 CEAELO CC[NH2+][C@@H](CCn1c(CC)nc2ccccc21)C(=O)OC ZINC000062807947 520097394 /nfs/dbraw/zinc/09/73/94/520097394.db2.gz XPFBGPKPRXBNJG-ZDUSSCGKSA-N 1 2 289.379 2.140 10 0 CEAELO CC[NH2+][C@@H](Cn1cc(-c2ccccc2)cn1)C(=O)OCC ZINC000054961887 520107813 /nfs/dbraw/zinc/10/78/13/520107813.db2.gz OOBQXVACBNTAAH-HNNXBMFYSA-N 1 2 287.363 2.091 10 0 CEAELO CCC[NH2+][C@](C)(Cn1c(CC)[nH+]c2ccccc21)C(=O)[O-] ZINC000062808012 520117629 /nfs/dbraw/zinc/11/76/29/520117629.db2.gz WNYCUKMAYCFLFH-MRXNPFEDSA-N 1 2 289.379 2.442 10 0 CEAELO CCC[NH2+][C@](C)(Cn1ncc2ccccc21)C(=O)OCC ZINC000050528212 520117994 /nfs/dbraw/zinc/11/79/94/520117994.db2.gz BSYHNCZFCBNIEI-MRXNPFEDSA-N 1 2 289.379 2.358 10 0 CEAELO CCC[NH2+][C@](COCCC(C)C)(C(=O)OC)C1CC1 ZINC000069196204 520124308 /nfs/dbraw/zinc/12/43/08/520124308.db2.gz CSIHOZPBPQWYKW-HNNXBMFYSA-N 1 2 271.401 2.371 10 0 CEAELO CC[NH2+][C@@](C)(CCn1nc(C)c(Cl)c1C)C(=O)OC ZINC000050588397 520134197 /nfs/dbraw/zinc/13/41/97/520134197.db2.gz XQCAQEDMJICAJW-ZDUSSCGKSA-N 1 2 287.791 2.085 10 0 CEAELO CC[NH2+][C@](CS[C@H](C)CC)(C(=O)OC)C1CC1 ZINC000069185181 520252232 /nfs/dbraw/zinc/25/22/32/520252232.db2.gz ZVCJRRTXVIIISC-MFKMUULPSA-N 1 2 259.415 2.449 10 0 CEAELO CCNc1ccc(Cn2cnc3sccc3c2=O)c[nH+]1 ZINC000050828921 520317132 /nfs/dbraw/zinc/31/71/32/520317132.db2.gz XINNHJAMWUPALT-UHFFFAOYSA-N 1 2 286.360 2.333 10 0 CEAELO CCOC(=O)CC(=O)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000068814264 520589445 /nfs/dbraw/zinc/58/94/45/520589445.db2.gz JMKCECQLFJXQBJ-JTQLQIEISA-N 1 2 269.366 2.263 10 0 CEAELO CCOC(=O)CC(=O)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000068814264 520589450 /nfs/dbraw/zinc/58/94/50/520589450.db2.gz JMKCECQLFJXQBJ-JTQLQIEISA-N 1 2 269.366 2.263 10 0 CEAELO CC[NH+](CC)CCNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054527197 520692178 /nfs/dbraw/zinc/69/21/78/520692178.db2.gz WIIPMXLRTQKSNM-UHFFFAOYSA-N 1 2 277.368 2.022 10 0 CEAELO CCOC(=O)[C@@](C)(CCOc1cccc(F)c1F)[NH2+]C ZINC000062653315 521146410 /nfs/dbraw/zinc/14/64/10/521146410.db2.gz CGDBQMFXZXQWRY-CQSZACIVSA-N 1 2 287.306 2.275 10 0 CEAELO CCOC(=O)[C@@](C)(CCOc1ccccc1OC)[NH2+]C ZINC000045518424 521147778 /nfs/dbraw/zinc/14/77/78/521147778.db2.gz LJHBFHDNCVOXEX-OAHLLOKOSA-N 1 2 281.352 2.005 10 0 CEAELO CCOC(=O)[C@@](C)(CSC1CCOCC1)[NH2+]C(C)C ZINC000062056387 521148496 /nfs/dbraw/zinc/14/84/96/521148496.db2.gz CESKODKIWXQXLQ-CQSZACIVSA-N 1 2 289.441 2.218 10 0 CEAELO CCOC(=O)[C@@](COCC(C)C)([NH2+]C1CC1)C1CC1 ZINC000069196315 521167946 /nfs/dbraw/zinc/16/79/46/521167946.db2.gz PEBCWRCFUMAJCJ-HNNXBMFYSA-N 1 2 269.385 2.123 10 0 CEAELO CCOC(=O)[C@@](COc1ccccc1C)([NH2+]C)C1CC1 ZINC000069197480 521169291 /nfs/dbraw/zinc/16/92/91/521169291.db2.gz PJHJBQKNFSOUPI-INIZCTEOSA-N 1 2 277.364 2.305 10 0 CEAELO CCOc1ccccc1-c1[nH+]c(C2CC2)n(N)c1N ZINC000052839093 521438683 /nfs/dbraw/zinc/43/86/83/521438683.db2.gz GITXSVRMIVYQKE-UHFFFAOYSA-N 1 2 258.325 2.122 10 0 CEAELO COC(=O)c1ccc(NCc2c[nH+]c(C)[nH]2)c(C)c1 ZINC000054822056 522129568 /nfs/dbraw/zinc/12/95/68/522129568.db2.gz YBWHUVLURQDDHH-UHFFFAOYSA-N 1 2 259.309 2.425 10 0 CEAELO COC(=O)c1ccc(NCc2c[nH]c(C)[nH+]2)c(C)c1 ZINC000054822056 522129581 /nfs/dbraw/zinc/12/95/81/522129581.db2.gz YBWHUVLURQDDHH-UHFFFAOYSA-N 1 2 259.309 2.425 10 0 CEAELO CCc1[nH+]c(-c2ccccc2OC(F)(F)F)c(N)n1N ZINC000052838706 522149603 /nfs/dbraw/zinc/14/96/03/522149603.db2.gz KUPVSNGEWMYAQX-UHFFFAOYSA-N 1 2 286.257 2.307 10 0 CEAELO CCc1[nH+]c2ccccc2n1C[C@]([NH2+]C)(C(=O)[O-])C1CC1 ZINC000069194035 522504511 /nfs/dbraw/zinc/50/45/11/522504511.db2.gz OECVKEIMZZZYNJ-MRXNPFEDSA-N 1 2 287.363 2.052 10 0 CEAELO C[NH2+][C@](COc1ccc(C)c(C)c1)(C(=O)OC)C1CC1 ZINC000069197364 522529675 /nfs/dbraw/zinc/52/96/75/522529675.db2.gz YGTPHFFXOOWZCJ-INIZCTEOSA-N 1 2 277.364 2.223 10 0 CEAELO C[NH2+][C@](Cn1c[nH+]c2cc(C)c(C)cc21)(C(=O)[O-])C1CC1 ZINC000069191738 522535616 /nfs/dbraw/zinc/53/56/16/522535616.db2.gz PWMRLRSDGCXKEM-INIZCTEOSA-N 1 2 287.363 2.106 10 0 CEAELO CCc1[nH+]ccn1-c1nc(Cl)nc(N2CCCCC2)n1 ZINC000061543064 522579494 /nfs/dbraw/zinc/57/94/94/522579494.db2.gz JNFIQISVIHYFRK-UHFFFAOYSA-N 1 2 292.774 2.263 10 0 CEAELO CNc1ccc(Cn2ccc(C(F)(F)F)n2)c[nH+]1 ZINC000050830030 522628396 /nfs/dbraw/zinc/62/83/96/522628396.db2.gz BHMQKDGAMVGNJW-UHFFFAOYSA-N 1 2 256.231 2.387 10 0 CEAELO COc1cc(OC)c(-c2ccc(N)[nH+]c2)c(OC)c1 ZINC000052886397 522785276 /nfs/dbraw/zinc/78/52/76/522785276.db2.gz UIYXUTGRSISYRU-UHFFFAOYSA-N 1 2 260.293 2.357 10 0 CEAELO COc1cc(OC)cc(-c2[nH+]c(C(C)(C)C)n(N)c2N)c1 ZINC000052839721 522835560 /nfs/dbraw/zinc/83/55/60/522835560.db2.gz AONMXBYGDXNYNJ-UHFFFAOYSA-N 1 2 290.367 2.161 10 0 CEAELO CC[C@H]1CCC[N@H+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069099932 523091779 /nfs/dbraw/zinc/09/17/79/523091779.db2.gz BPSXEJDMPVVCDD-BLLLJJGKSA-N 1 2 280.412 2.094 10 0 CEAELO CC[C@H]1CCC[N@@H+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)C1 ZINC000069099932 523091789 /nfs/dbraw/zinc/09/17/89/523091789.db2.gz BPSXEJDMPVVCDD-BLLLJJGKSA-N 1 2 280.412 2.094 10 0 CEAELO CC[C@H]1CCCN(c2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061537955 523094491 /nfs/dbraw/zinc/09/44/91/523094491.db2.gz QDFZJNPLWVQCKF-JTQLQIEISA-N 1 2 292.774 2.337 10 0 CEAELO COc1ccc(-c2nc(N)c(C)c(C)[nH+]2)cc1OC ZINC000050847339 523193837 /nfs/dbraw/zinc/19/38/37/523193837.db2.gz FQFSEFQRSOHFTG-UHFFFAOYSA-N 1 2 259.309 2.360 10 0 CEAELO CN(Cc1cccs1)c1cc[nH+]c(C(N)=S)c1 ZINC000061812551 523450829 /nfs/dbraw/zinc/45/08/29/523450829.db2.gz UMDLUCNPZWZQRM-UHFFFAOYSA-N 1 2 263.391 2.414 10 0 CEAELO COC(=O)[C@@](COc1ccc(F)cc1)([NH2+]C1CC1)C1CC1 ZINC000069197559 523823321 /nfs/dbraw/zinc/82/33/21/523823321.db2.gz ZCROZKGSWOPQFD-INIZCTEOSA-N 1 2 293.338 2.278 10 0 CEAELO COC(=O)[C@H](CCOc1cccc(F)c1)[NH2+]C(C)C ZINC000062550425 523900061 /nfs/dbraw/zinc/90/00/61/523900061.db2.gz FYWVDVJWNCODFJ-ZDUSSCGKSA-N 1 2 269.316 2.134 10 0 CEAELO CC[C@H](C)[N@H+](CC)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069097545 523934292 /nfs/dbraw/zinc/93/42/92/523934292.db2.gz WFWCGQHTPYAHPL-XHDPSFHLSA-N 1 2 268.401 2.092 10 0 CEAELO CC[C@H](C)[N@@H+](CC)C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 ZINC000069097545 523934297 /nfs/dbraw/zinc/93/42/97/523934297.db2.gz WFWCGQHTPYAHPL-XHDPSFHLSA-N 1 2 268.401 2.092 10 0 CEAELO COCC[NH2+][C@]1(C(=O)OC)CCCC[C@H]1C(C)(C)C ZINC000053258339 523961826 /nfs/dbraw/zinc/96/18/26/523961826.db2.gz CVDAZEHEGKNQCE-SWLSCSKDSA-N 1 2 271.401 2.371 10 0 CEAELO COC(=O)[C@](C)(CCn1ncc2ccccc21)[NH2+]C1CC1 ZINC000050528269 523998618 /nfs/dbraw/zinc/99/86/18/523998618.db2.gz KYKJYQXMFKYFHF-INIZCTEOSA-N 1 2 287.363 2.110 10 0 CEAELO Cc1cccc(CNc2cc[nH+]c(C(N)=S)c2)n1 ZINC000061813296 524443161 /nfs/dbraw/zinc/44/31/61/524443161.db2.gz ZMSXSDQRFULPAY-UHFFFAOYSA-N 1 2 258.350 2.031 10 0 CEAELO Cc1cccc(N2CCN(c3cccc(CO)[nH+]3)CC2)c1 ZINC000051041738 524562743 /nfs/dbraw/zinc/56/27/43/524562743.db2.gz PNCGEZUSGVDDBN-UHFFFAOYSA-N 1 2 283.375 2.209 10 0 CEAELO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)c(C)s1 ZINC000049136965 526207204 /nfs/dbraw/zinc/20/72/04/526207204.db2.gz XBBXRQSEUXKYFP-GFCCVEGCSA-N 1 2 267.394 2.252 10 0 CEAELO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CO)C2)c(C)s1 ZINC000049136965 526207209 /nfs/dbraw/zinc/20/72/09/526207209.db2.gz XBBXRQSEUXKYFP-GFCCVEGCSA-N 1 2 267.394 2.252 10 0 CEAELO Cc1ccc2c(c1)[nH]c(=S)n2C[C@@H]1CN(C)CC[N@@H+]1C ZINC000068807063 526214855 /nfs/dbraw/zinc/21/48/55/526214855.db2.gz MOUTXGXKGSLDMB-LBPRGKRZSA-N 1 2 290.436 2.253 10 0 CEAELO Cc1ccc2c(c1)[nH]c(=S)n2C[C@@H]1CN(C)CC[N@H+]1C ZINC000068807063 526214864 /nfs/dbraw/zinc/21/48/64/526214864.db2.gz MOUTXGXKGSLDMB-LBPRGKRZSA-N 1 2 290.436 2.253 10 0 CEAELO Cc1ccc2c(c1)[nH]c(=S)n2C[C@@H]1C[N@@H+](C)CCN1C ZINC000068807063 526214869 /nfs/dbraw/zinc/21/48/69/526214869.db2.gz MOUTXGXKGSLDMB-LBPRGKRZSA-N 1 2 290.436 2.253 10 0 CEAELO Cc1ccc2c(c1)[nH]c(=S)n2C[C@@H]1C[N@H+](C)CCN1C ZINC000068807063 526214873 /nfs/dbraw/zinc/21/48/73/526214873.db2.gz MOUTXGXKGSLDMB-LBPRGKRZSA-N 1 2 290.436 2.253 10 0 CEAELO O=C(C[NH+]1CCC(O)CC1)c1cc2ccccc2o1 ZINC000049537517 526730253 /nfs/dbraw/zinc/73/02/53/526730253.db2.gz HSPKMAYPMGAOTP-UHFFFAOYSA-N 1 2 259.305 2.072 10 0 CEAELO Cc1occc1C[N@@H+](C)Cc1ccnc(C(N)=S)c1 ZINC000068752209 526825238 /nfs/dbraw/zinc/82/52/38/526825238.db2.gz OVBFEVYNUTXVAL-UHFFFAOYSA-N 1 2 275.377 2.249 10 0 CEAELO Cc1occc1C[N@H+](C)Cc1ccnc(C(N)=S)c1 ZINC000068752209 526825241 /nfs/dbraw/zinc/82/52/41/526825241.db2.gz OVBFEVYNUTXVAL-UHFFFAOYSA-N 1 2 275.377 2.249 10 0 CEAELO Clc1nc(NCc2ccccc2)nc(-n2cc[nH+]c2)n1 ZINC000061536295 527006355 /nfs/dbraw/zinc/00/63/55/527006355.db2.gz SBETVTMATBGSTL-UHFFFAOYSA-N 1 2 286.726 2.323 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1cc2c(cc1F)CCC(=O)N2 ZINC000054795677 527213812 /nfs/dbraw/zinc/21/38/12/527213812.db2.gz ZYGKYVVUPOPAHO-UHFFFAOYSA-N 1 2 274.299 2.354 10 0 CEAELO [NH3+][C@@H](c1noc(C2CC2)n1)c1cc(F)c(F)c(F)c1 ZINC000062720030 527340339 /nfs/dbraw/zinc/34/03/39/527340339.db2.gz PKKXDPVEROYTHZ-SNVBAGLBSA-N 1 2 269.226 2.412 10 0 CEAELO Nc1ccc(NC(=O)c2ccc3ncccc3c2)c[nH+]1 ZINC000061680258 527495301 /nfs/dbraw/zinc/49/53/01/527495301.db2.gz ZSNAPQLLAAMVQV-UHFFFAOYSA-N 1 2 264.288 2.464 10 0 CEAELO CC[C@H](N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)OC ZINC000189917087 535941456 /nfs/dbraw/zinc/94/14/56/535941456.db2.gz NIESZCAXXCTWKQ-DOMZBBRYSA-N 1 2 287.363 2.475 10 0 CEAELO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCc2cc(N)ccc21 ZINC000262368667 625032230 /nfs/dbraw/zinc/03/22/30/625032230.db2.gz XGZVSAZHGNUREX-CQSZACIVSA-N 1 2 294.362 2.435 10 0 CEAELO CC[NH+]1CCN(C(=O)c2sc3c(c2OC)CCC3)CC1 ZINC000223474081 639425129 /nfs/dbraw/zinc/42/51/29/639425129.db2.gz AVRWVLJUXRTMPK-UHFFFAOYSA-N 1 2 294.420 2.023 10 0 CEAELO CCc1ccc(C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)s1 ZINC000117284898 645739226 /nfs/dbraw/zinc/73/92/26/645739226.db2.gz GEHPCXCFSPQUTA-GFCCVEGCSA-N 1 2 296.436 2.103 10 0 CEAELO CCc1ccc(C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)s1 ZINC000117284898 645739229 /nfs/dbraw/zinc/73/92/29/645739229.db2.gz GEHPCXCFSPQUTA-GFCCVEGCSA-N 1 2 296.436 2.103 10 0 CEAELO COc1ccc(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)cc1 ZINC000220585779 539258562 /nfs/dbraw/zinc/25/85/62/539258562.db2.gz UCYSHAIWUCZHJD-CYBMUJFWSA-N 1 2 299.374 2.148 10 0 CEAELO COc1ccc(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)cc1 ZINC000220585779 539258563 /nfs/dbraw/zinc/25/85/63/539258563.db2.gz UCYSHAIWUCZHJD-CYBMUJFWSA-N 1 2 299.374 2.148 10 0 CEAELO CCOC(=O)C[C@@H](c1[nH+]ccn1C)c1ccc(O)cc1 ZINC000146762179 344411084 /nfs/dbraw/zinc/41/10/84/344411084.db2.gz VFKODIZLPWMFSI-CYBMUJFWSA-N 1 2 274.320 2.211 10 0 CEAELO CCOC(=O)C[C@H](c1[nH+]ccn1C)c1ccc(O)cc1 ZINC000146743698 344411128 /nfs/dbraw/zinc/41/11/28/344411128.db2.gz VFKODIZLPWMFSI-ZDUSSCGKSA-N 1 2 274.320 2.211 10 0 CEAELO [NH3+][C@@H](c1cnns1)c1cscc1Br ZINC000164393973 344472190 /nfs/dbraw/zinc/47/21/90/344472190.db2.gz ACRNIVVNHGXEKL-SSDOTTSWSA-N 1 2 276.184 2.410 10 0 CEAELO CC(C)[C@H](C)Nc1nc[nH+]c(N)c1Br ZINC000232718966 344578463 /nfs/dbraw/zinc/57/84/63/344578463.db2.gz KMHIAVKGDFVAAG-LURJTMIESA-N 1 2 259.151 2.278 10 0 CEAELO CC(C)[C@H](C)Nc1[nH+]cnc(N)c1Br ZINC000232718966 344578465 /nfs/dbraw/zinc/57/84/65/344578465.db2.gz KMHIAVKGDFVAAG-LURJTMIESA-N 1 2 259.151 2.278 10 0 CEAELO Cc1nc([C@@H]([NH3+])c2occc2Br)co1 ZINC000306825233 344717770 /nfs/dbraw/zinc/71/77/70/344717770.db2.gz WKPFSJNJOWCXIB-MRVPVSSYSA-N 1 2 257.087 2.387 10 0 CEAELO Cc1cccc(CC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000328618170 344755611 /nfs/dbraw/zinc/75/56/11/344755611.db2.gz DLJBEQJWYRMDEX-MRXNPFEDSA-N 1 2 297.402 2.455 10 0 CEAELO CCc1oc(C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000328615065 344755782 /nfs/dbraw/zinc/75/57/82/344755782.db2.gz AQGKQELDANSRSK-GFCCVEGCSA-N 1 2 287.363 2.339 10 0 CEAELO Cc1cccc(CC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000328618169 344755839 /nfs/dbraw/zinc/75/58/39/344755839.db2.gz DLJBEQJWYRMDEX-INIZCTEOSA-N 1 2 297.402 2.455 10 0 CEAELO C[C@H](C(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1)c1cccnc1 ZINC000328625251 344756572 /nfs/dbraw/zinc/75/65/72/344756572.db2.gz KNHMIXUETBUEKT-UONOGXRCSA-N 1 2 298.390 2.103 10 0 CEAELO [NH3+][C@H](c1ccns1)c1nscc1Br ZINC000404737162 344881962 /nfs/dbraw/zinc/88/19/62/344881962.db2.gz MMDYQCAGHWAVGY-ZCFIWIBFSA-N 1 2 276.184 2.410 10 0 CEAELO COc1ncc(-c2cc(N)c[nH+]c2C)cc1C1(F)COC1 ZINC000584613215 344965127 /nfs/dbraw/zinc/96/51/27/344965127.db2.gz PSEZVJZLAXRKNP-UHFFFAOYSA-N 1 2 289.310 2.238 10 0 CEAELO COC(=O)c1cnc(C[NH2+]Cc2ccccc2)s1 ZINC000584881520 344996393 /nfs/dbraw/zinc/99/63/93/344996393.db2.gz UWZOZWOVBWIZEY-UHFFFAOYSA-N 1 2 262.334 2.220 10 0 CEAELO CC[NH2+][C@@H](c1csnn1)c1ccc2c(c1)CCO2 ZINC000097391472 185596909 /nfs/dbraw/zinc/59/69/09/185596909.db2.gz IRBSGTQBYYIYEL-CYBMUJFWSA-N 1 2 261.350 2.172 10 0 CEAELO COC[C@H](C)C[C@H]([NH2+]N)[C@@H]1CCOC2(CCCC2)C1 ZINC000097767146 185664882 /nfs/dbraw/zinc/66/48/82/185664882.db2.gz FDSBFVQQKBPOJB-MCIONIFRSA-N 1 2 270.417 2.230 10 0 CEAELO O=C(CN1CCn2cc[nH+]c2C1)c1c[nH]c2ccccc12 ZINC000062254152 362716775 /nfs/dbraw/zinc/71/67/75/362716775.db2.gz QELUVLCFENMTSD-UHFFFAOYSA-N 1 2 280.331 2.063 10 0 CEAELO CCNc1nc(N2CCCC2)[nH+]cc1Br ZINC000085461970 179069144 /nfs/dbraw/zinc/06/91/44/179069144.db2.gz REYOKKAJKQXHQX-UHFFFAOYSA-N 1 2 271.162 2.271 10 0 CEAELO Cc1cc(Cl)ccc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000129401189 365855067 /nfs/dbraw/zinc/85/50/67/365855067.db2.gz SKINOWZNSMTOAA-GFCCVEGCSA-N 1 2 296.798 2.099 10 0 CEAELO CCCc1nc(N2CCc3nc[nH]c3C2)cc(C)[nH+]1 ZINC000065529837 362832159 /nfs/dbraw/zinc/83/21/59/362832159.db2.gz BGSIKTBJYUWDRM-UHFFFAOYSA-N 1 2 257.341 2.023 10 0 CEAELO Cc1csc([C@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000130316812 365944514 /nfs/dbraw/zinc/94/45/14/365944514.db2.gz DACVVFMKXPXNLH-CYBMUJFWSA-N 1 2 275.377 2.420 10 0 CEAELO Cc1csc([C@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000130316812 365944516 /nfs/dbraw/zinc/94/45/16/365944516.db2.gz DACVVFMKXPXNLH-CYBMUJFWSA-N 1 2 275.377 2.420 10 0 CEAELO CCOC(=O)[C@@]1([NH2+]CCOC)CCC[C@H](C)CC1 ZINC000086892088 179366559 /nfs/dbraw/zinc/36/65/59/179366559.db2.gz WWEKWBGILDUKDA-GXTWGEPZSA-N 1 2 257.374 2.125 10 0 CEAELO Nc1nc(NCCc2cccs2)c(Cl)c[nH+]1 ZINC000087808273 179489601 /nfs/dbraw/zinc/48/96/01/179489601.db2.gz IRMNOOHPFVMYAT-UHFFFAOYSA-N 1 2 254.746 2.428 10 0 CEAELO c1ccc(C[N@@H+]2CCO[C@H](c3cncnc3)C2)cc1 ZINC000616642596 348544451 /nfs/dbraw/zinc/54/44/51/348544451.db2.gz BJFZZFCRYJHWJZ-HNNXBMFYSA-N 1 2 255.321 2.050 10 0 CEAELO c1ccc(C[N@H+]2CCO[C@H](c3cncnc3)C2)cc1 ZINC000616642596 348544455 /nfs/dbraw/zinc/54/44/55/348544455.db2.gz BJFZZFCRYJHWJZ-HNNXBMFYSA-N 1 2 255.321 2.050 10 0 CEAELO CCOC(=O)N1CCCC[C@@H](c2ccc(N)[nH+]c2)C1 ZINC000616652884 348549200 /nfs/dbraw/zinc/54/92/00/348549200.db2.gz IPYBLIDSECQRAL-GFCCVEGCSA-N 1 2 263.341 2.220 10 0 CEAELO CC(=O)N1C[C@H](c2ccc[nH+]c2N)Cc2ccccc21 ZINC000616592841 348527359 /nfs/dbraw/zinc/52/73/59/348527359.db2.gz LKMBZSLPEYWZMT-CYBMUJFWSA-N 1 2 267.332 2.357 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H]1c1c[nH]cn1 ZINC000616615912 348535279 /nfs/dbraw/zinc/53/52/79/348535279.db2.gz FMNABQBDOBCGRS-ZDUSSCGKSA-N 1 2 294.399 2.461 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H]1c1c[nH]cn1 ZINC000616615912 348535282 /nfs/dbraw/zinc/53/52/82/348535282.db2.gz FMNABQBDOBCGRS-ZDUSSCGKSA-N 1 2 294.399 2.461 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H]1c1cnc[nH]1 ZINC000616615912 348535285 /nfs/dbraw/zinc/53/52/85/348535285.db2.gz FMNABQBDOBCGRS-ZDUSSCGKSA-N 1 2 294.399 2.461 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H]1c1cnc[nH]1 ZINC000616615912 348535286 /nfs/dbraw/zinc/53/52/86/348535286.db2.gz FMNABQBDOBCGRS-ZDUSSCGKSA-N 1 2 294.399 2.461 10 0 CEAELO CO[C@H]1CCCCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616623486 348538116 /nfs/dbraw/zinc/53/81/16/348538116.db2.gz GFRQPCDNXDASJW-LBPRGKRZSA-N 1 2 272.389 2.360 10 0 CEAELO CO[C@H]1CCCCC[N@H+]1CCNC(=O)OC(C)(C)C ZINC000616623486 348538118 /nfs/dbraw/zinc/53/81/18/348538118.db2.gz GFRQPCDNXDASJW-LBPRGKRZSA-N 1 2 272.389 2.360 10 0 CEAELO COC(=O)N1CCc2ccccc2[C@H]1c1[nH]cc[nH+]1 ZINC000616679915 348558870 /nfs/dbraw/zinc/55/88/70/348558870.db2.gz SALKHMQSBZNJLH-LBPRGKRZSA-N 1 2 257.293 2.124 10 0 CEAELO COC(=O)N1c2ccccc2NC[C@@H]1c1[nH]cc[nH+]1 ZINC000616690712 348562337 /nfs/dbraw/zinc/56/23/37/348562337.db2.gz FFHQHKRAMVWAOW-LLVKDONJSA-N 1 2 258.281 2.149 10 0 CEAELO CCCn1c[nH+]cc1CS(=O)(=O)c1ccccc1F ZINC000090236614 179937038 /nfs/dbraw/zinc/93/70/38/179937038.db2.gz BTEFISZKQSZJGE-UHFFFAOYSA-N 1 2 282.340 2.406 10 0 CEAELO CCOC(=O)[C@](C)(CO[C@H](C)C(F)(F)F)[NH2+]C(C)C ZINC000090674543 180021412 /nfs/dbraw/zinc/02/14/12/180021412.db2.gz AQKOYEHTJYCTHE-KOLCDFICSA-N 1 2 285.306 2.274 10 0 CEAELO COC(=O)c1cc(NC2(CO)CCC(C)CC2)cc[nH+]1 ZINC000090738036 180033981 /nfs/dbraw/zinc/03/39/81/180033981.db2.gz VJEHLKQZNVSSJY-UHFFFAOYSA-N 1 2 278.352 2.221 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1cccc(F)c1Cl ZINC000090868589 180049015 /nfs/dbraw/zinc/04/90/15/180049015.db2.gz VIISPAMDVRWWND-UHFFFAOYSA-N 1 2 267.691 2.175 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1cccc(F)c1Cl ZINC000090868589 180049016 /nfs/dbraw/zinc/04/90/16/180049016.db2.gz VIISPAMDVRWWND-UHFFFAOYSA-N 1 2 267.691 2.175 10 0 CEAELO CCC[N@@H+](CC(=O)OCC)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894715 180055864 /nfs/dbraw/zinc/05/58/64/180055864.db2.gz XEDFLUMIUIRAEK-AWEZNQCLSA-N 1 2 295.354 2.404 10 0 CEAELO CCC[N@H+](CC(=O)OCC)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894715 180055866 /nfs/dbraw/zinc/05/58/66/180055866.db2.gz XEDFLUMIUIRAEK-AWEZNQCLSA-N 1 2 295.354 2.404 10 0 CEAELO Nc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1Cl ZINC000090905514 180060299 /nfs/dbraw/zinc/06/02/99/180060299.db2.gz NZVLTXANTPFUDY-PHIMTYICSA-N 1 2 252.745 2.285 10 0 CEAELO Nc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1Cl ZINC000090905514 180060300 /nfs/dbraw/zinc/06/03/00/180060300.db2.gz NZVLTXANTPFUDY-PHIMTYICSA-N 1 2 252.745 2.285 10 0 CEAELO CCCn1ccc(C[NH2+][C@H](C(=O)OC)C(C)C)c1 ZINC000091010175 180086146 /nfs/dbraw/zinc/08/61/46/180086146.db2.gz ITWPNWYBZHOCJZ-ZDUSSCGKSA-N 1 2 252.358 2.185 10 0 CEAELO CCn1cccc1C[NH2+][C@H](CC(C)C)C(=O)OC ZINC000091023974 180089323 /nfs/dbraw/zinc/08/93/23/180089323.db2.gz DRJBLZLJRODMCZ-CYBMUJFWSA-N 1 2 252.358 2.185 10 0 CEAELO CCOC(=O)[C@@H](NCC1CC1)c1c[nH+]cn1C(C)C ZINC000091272804 180117977 /nfs/dbraw/zinc/11/79/77/180117977.db2.gz YRSWVTMYMFVMRU-ZDUSSCGKSA-N 1 2 265.357 2.068 10 0 CEAELO Cn1c[nH+]cc1COc1ccc2c(c1)CCC[C@H]2O ZINC000091278676 180121086 /nfs/dbraw/zinc/12/10/86/180121086.db2.gz AFGBUKHZLGXLLS-OAHLLOKOSA-N 1 2 258.321 2.369 10 0 CEAELO OCC1C[NH+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000091464816 180162866 /nfs/dbraw/zinc/16/28/66/180162866.db2.gz AIHXGGYYFXLAIV-UHFFFAOYSA-N 1 2 278.739 2.419 10 0 CEAELO C[N@@H+]1CCO[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000091688487 180226980 /nfs/dbraw/zinc/22/69/80/180226980.db2.gz ITDYRGSWAGNOJK-OAHLLOKOSA-N 1 2 255.317 2.353 10 0 CEAELO C[N@H+]1CCO[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000091688487 180226981 /nfs/dbraw/zinc/22/69/81/180226981.db2.gz ITDYRGSWAGNOJK-OAHLLOKOSA-N 1 2 255.317 2.353 10 0 CEAELO C[NH2+][C@@H](C)c1cccn1Cc1nc(=O)c2sccc2[nH]1 ZINC000091800630 180259260 /nfs/dbraw/zinc/25/92/60/180259260.db2.gz GHNUGYOKLHFPJJ-VIFPVBQESA-N 1 2 288.376 2.115 10 0 CEAELO CC(C)c1nc(C[N@H+](C)C2CCC3(CC2)OCCO3)no1 ZINC000091853493 180273400 /nfs/dbraw/zinc/27/34/00/180273400.db2.gz CEWIENDHMUXLQP-UHFFFAOYSA-N 1 2 295.383 2.311 10 0 CEAELO CC(C)c1nc(C[N@@H+](C)C2CCC3(CC2)OCCO3)no1 ZINC000091853493 180273402 /nfs/dbraw/zinc/27/34/02/180273402.db2.gz CEWIENDHMUXLQP-UHFFFAOYSA-N 1 2 295.383 2.311 10 0 CEAELO CC[N@@H+]1CCO[C@@H](COc2c(C)cc(C=O)cc2C)C1 ZINC000092056938 180314531 /nfs/dbraw/zinc/31/45/31/180314531.db2.gz IQLDSYGOGQBTNO-OAHLLOKOSA-N 1 2 277.364 2.215 10 0 CEAELO CC[N@H+]1CCO[C@@H](COc2c(C)cc(C=O)cc2C)C1 ZINC000092056938 180314532 /nfs/dbraw/zinc/31/45/32/180314532.db2.gz IQLDSYGOGQBTNO-OAHLLOKOSA-N 1 2 277.364 2.215 10 0 CEAELO CC[N@@H+]1CCO[C@H](COc2ccc3c(c2)CCCC3=O)C1 ZINC000092056608 180314594 /nfs/dbraw/zinc/31/45/94/180314594.db2.gz CLMDJBQKJAJJOS-HNNXBMFYSA-N 1 2 289.375 2.305 10 0 CEAELO CC[N@H+]1CCO[C@H](COc2ccc3c(c2)CCCC3=O)C1 ZINC000092056608 180314595 /nfs/dbraw/zinc/31/45/95/180314595.db2.gz CLMDJBQKJAJJOS-HNNXBMFYSA-N 1 2 289.375 2.305 10 0 CEAELO O=C(CCn1cc[nH+]c1)Nc1ccc(Br)cn1 ZINC000105732275 186069497 /nfs/dbraw/zinc/06/94/97/186069497.db2.gz WSOSTEOWZWHYBR-UHFFFAOYSA-N 1 2 295.140 2.069 10 0 CEAELO COC(=O)[C@@H]([NH2+]C[C@H]1Cc2ccccc2S1)C(C)C ZINC000092242531 180351379 /nfs/dbraw/zinc/35/13/79/180351379.db2.gz OFYPSCZLIVVNCF-OCCSQVGLSA-N 1 2 279.405 2.491 10 0 CEAELO COC(=O)[C@H]([NH2+]C[C@H]1Cc2ccccc2S1)C(C)C ZINC000092242533 180351412 /nfs/dbraw/zinc/35/14/12/180351412.db2.gz OFYPSCZLIVVNCF-TZMCWYRMSA-N 1 2 279.405 2.491 10 0 CEAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3nc(C4CC4)no3)C2)c1 ZINC000105901202 186086977 /nfs/dbraw/zinc/08/69/77/186086977.db2.gz GTIGGZRYPDNTFH-CYBMUJFWSA-N 1 2 287.367 2.289 10 0 CEAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3nc(C4CC4)no3)C2)c1 ZINC000105901202 186086978 /nfs/dbraw/zinc/08/69/78/186086978.db2.gz GTIGGZRYPDNTFH-CYBMUJFWSA-N 1 2 287.367 2.289 10 0 CEAELO O=S1(=O)C=C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000105955158 186094798 /nfs/dbraw/zinc/09/47/98/186094798.db2.gz SDKBOYMSMOGXDZ-SNVBAGLBSA-N 1 2 292.187 2.394 10 0 CEAELO Cc1cc(NC(=O)c2cc(N)ccc2N(C)C)cc[nH+]1 ZINC000092348468 180367094 /nfs/dbraw/zinc/36/70/94/180367094.db2.gz XSKZQMORVYAIHP-UHFFFAOYSA-N 1 2 270.336 2.291 10 0 CEAELO Cc1cc(NS(=O)(=O)c2cc(C)c(C)c(N)c2)cc[nH+]1 ZINC000092348822 180367561 /nfs/dbraw/zinc/36/75/61/180367561.db2.gz DVHILFZIPUUPEV-UHFFFAOYSA-N 1 2 291.376 2.390 10 0 CEAELO CC(C)[C@@H]1CCC(=O)N(Cc2cc(NN)cc[nH+]2)CC1 ZINC000092425540 180383033 /nfs/dbraw/zinc/38/30/33/180383033.db2.gz PPUIOSFCRXCPCQ-GFCCVEGCSA-N 1 2 276.384 2.152 10 0 CEAELO CCn1nc(C)c2[nH+]c(N)n([C@@H](C)c3c(C)noc3C)c21 ZINC000092592273 180410037 /nfs/dbraw/zinc/41/00/37/180410037.db2.gz IDGPPFBQYCYCNT-VIFPVBQESA-N 1 2 288.355 2.357 10 0 CEAELO CCc1cc2c(nc(C[C@@H]3CCCO3)[nH+]c2NN)s1 ZINC000110774283 186322688 /nfs/dbraw/zinc/32/26/88/186322688.db2.gz COEQUERUAUFAEB-QMMMGPOBSA-N 1 2 278.381 2.261 10 0 CEAELO CCOC(=O)CC[NH2+]c1ccc(N)c(OCC)c1 ZINC000111054882 186349032 /nfs/dbraw/zinc/34/90/32/186349032.db2.gz IVNLQLZXIUZUEZ-UHFFFAOYSA-N 1 2 252.314 2.033 10 0 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VSFZCLOHQACYGV-UHFFFAOYSA-N 1 2 292.342 2.444 10 0 CEAELO C[C@@H](C(=O)Nc1nc2ccc(N)cc2s1)n1cc[nH+]c1 ZINC000022165880 171365534 /nfs/dbraw/zinc/36/55/34/171365534.db2.gz QFBIENHDFPCDJU-QMMMGPOBSA-N 1 2 287.348 2.275 10 0 CEAELO C[C@@H](Nc1cc(C(N)=S)cc[nH+]1)c1ccncc1 ZINC000035693910 172363154 /nfs/dbraw/zinc/36/31/54/172363154.db2.gz GYIRZMMZYOQAIW-SECBINFHSA-N 1 2 258.350 2.284 10 0 CEAELO C[N@H+](CC(=O)Nc1ccccc1N)Cc1ccsc1 ZINC000035718499 172372047 /nfs/dbraw/zinc/37/20/47/172372047.db2.gz HVWOYQZTSJGGOD-UHFFFAOYSA-N 1 2 275.377 2.401 10 0 CEAELO C[N@@H+](CC(=O)Nc1ccccc1N)Cc1ccsc1 ZINC000035718499 172372050 /nfs/dbraw/zinc/37/20/50/172372050.db2.gz HVWOYQZTSJGGOD-UHFFFAOYSA-N 1 2 275.377 2.401 10 0 CEAELO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(O)cc1)C(=O)OC ZINC000037102572 172955373 /nfs/dbraw/zinc/95/53/73/172955373.db2.gz XOAOFPKCXZXTCW-MFKMUULPSA-N 1 2 251.326 2.070 10 0 CEAELO CN(C(=O)CSc1ccc(N)[nH+]c1)C1=CCCC1 ZINC000037192237 173021426 /nfs/dbraw/zinc/02/14/26/173021426.db2.gz QAMAOOCFDXBGQR-UHFFFAOYSA-N 1 2 263.366 2.282 10 0 CEAELO CCN(CC)C(=O)[C@@H](C)Sc1ccc(N)[nH+]c1 ZINC000037192521 173021854 /nfs/dbraw/zinc/02/18/54/173021854.db2.gz GKUWRUFVKKJTAD-SECBINFHSA-N 1 2 253.371 2.013 10 0 CEAELO CCCNC(=O)Cn1c(C)[nH+]c2cc(C)c(C)cc21 ZINC000040295500 174223992 /nfs/dbraw/zinc/22/39/92/174223992.db2.gz SGOGJYATQMMTTO-UHFFFAOYSA-N 1 2 259.353 2.488 10 0 CEAELO Cc1ccc(C)c(Nc2[nH+]cnc(N(C)C)c2N)c1 ZINC000040704383 174379124 /nfs/dbraw/zinc/37/91/24/174379124.db2.gz ZIQCUUAQFOKMCP-UHFFFAOYSA-N 1 2 257.341 2.485 10 0 CEAELO CCCc1cc(NCCC(=O)N[C@H](C)CC)nc[nH+]1 ZINC000040765707 174397601 /nfs/dbraw/zinc/39/76/01/174397601.db2.gz COHJFKKLPNAXIC-LLVKDONJSA-N 1 2 264.373 2.146 10 0 CEAELO COC(=O)C(C)(C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747235 175242543 /nfs/dbraw/zinc/24/25/43/175242543.db2.gz MXAWTZXUWLGXJY-ZDUSSCGKSA-N 1 2 263.337 2.311 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269182 175340573 /nfs/dbraw/zinc/34/05/73/175340573.db2.gz WCCARHRDQBCNCJ-CQSZACIVSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269182 175340574 /nfs/dbraw/zinc/34/05/74/175340574.db2.gz WCCARHRDQBCNCJ-CQSZACIVSA-N 1 2 256.390 2.094 10 0 CEAELO C[N@H+](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCCCC1 ZINC000045271877 175342416 /nfs/dbraw/zinc/34/24/16/175342416.db2.gz AJADDOQJFGDBMC-OAHLLOKOSA-N 1 2 268.401 2.236 10 0 CEAELO C[N@@H+](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCCCC1 ZINC000045271877 175342417 /nfs/dbraw/zinc/34/24/17/175342417.db2.gz AJADDOQJFGDBMC-OAHLLOKOSA-N 1 2 268.401 2.236 10 0 CEAELO CCC[NH2+][C@](C)(CN(CC)CC(F)(F)F)C(=O)OCC ZINC000045274074 175344231 /nfs/dbraw/zinc/34/42/31/175344231.db2.gz CKXQMNVINJPHJV-GFCCVEGCSA-N 1 2 298.349 2.192 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281512 175352609 /nfs/dbraw/zinc/35/26/09/175352609.db2.gz CMEOJFKGYZPFDH-HNNXBMFYSA-N 1 2 270.417 2.341 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281512 175352611 /nfs/dbraw/zinc/35/26/11/175352611.db2.gz CMEOJFKGYZPFDH-HNNXBMFYSA-N 1 2 270.417 2.341 10 0 CEAELO CCCN(C[C@H]([NH2+]C(C)C)C(=O)OCC)CC(F)(F)F ZINC000045420789 175379096 /nfs/dbraw/zinc/37/90/96/175379096.db2.gz LUTDCLLZYMBWED-NSHDSACASA-N 1 2 298.349 2.190 10 0 CEAELO C[C@@H]1c2cccc(C(=O)NCc3[nH]cc[nH+]3)c2O[C@H]1C ZINC000070991697 176020020 /nfs/dbraw/zinc/02/00/20/176020020.db2.gz IZRGRRAXAGSAGZ-UWVGGRQHSA-N 1 2 271.320 2.224 10 0 CEAELO CCCS(=O)(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000071274370 176106272 /nfs/dbraw/zinc/10/62/72/176106272.db2.gz IQGMHCVBOOBJIW-UHFFFAOYSA-N 1 2 293.392 2.216 10 0 CEAELO Cc1ccc(N)c(C(=O)N[C@H]2CCC[C@H]2n2cc[nH+]c2)c1 ZINC000071383076 176146479 /nfs/dbraw/zinc/14/64/79/176146479.db2.gz IZZGYFPJRRARIZ-LSDHHAIUSA-N 1 2 284.363 2.297 10 0 CEAELO Cc1cc[nH+]cc1N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000071413704 176159179 /nfs/dbraw/zinc/15/91/79/176159179.db2.gz KFCIDRUMFGIFDU-NSHDSACASA-N 1 2 291.376 2.211 10 0 CEAELO Cc1ccn2cc(CCNC(=O)C3CCC3)[nH+]c2c1 ZINC000071490434 176190132 /nfs/dbraw/zinc/19/01/32/176190132.db2.gz ONTLCQOSHVNXEM-UHFFFAOYSA-N 1 2 257.337 2.102 10 0 CEAELO Cc1cn2ccc(C(=O)Nc3ccc(F)cn3)cc2[nH+]1 ZINC000071529270 176194345 /nfs/dbraw/zinc/19/43/45/176194345.db2.gz XTJSJBJRWFGMIC-UHFFFAOYSA-N 1 2 270.267 2.429 10 0 CEAELO O=C(NC1CCC(C2CCC2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000662734415 415948371 /nfs/dbraw/zinc/94/83/71/415948371.db2.gz AMUMLBNJIRSHET-WXRRBKDZSA-N 1 2 286.366 2.459 10 0 CEAELO Cc1[nH+]c2cc(CNC(=O)NC(C)C)ccc2n1C ZINC000074979714 176645375 /nfs/dbraw/zinc/64/53/75/176645375.db2.gz QRZDIRUGJDMVEE-UHFFFAOYSA-N 1 2 260.341 2.089 10 0 CEAELO CC(=O)Nc1nc2c(s1)C[N@H+](Cc1cccnc1)CC2 ZINC000077141960 177227945 /nfs/dbraw/zinc/22/79/45/177227945.db2.gz DEKIEMHXXJNAJV-UHFFFAOYSA-N 1 2 288.376 2.055 10 0 CEAELO CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1cccnc1)CC2 ZINC000077141960 177227947 /nfs/dbraw/zinc/22/79/47/177227947.db2.gz DEKIEMHXXJNAJV-UHFFFAOYSA-N 1 2 288.376 2.055 10 0 CEAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cnn(-c2ccccc2)c1 ZINC000077367353 177258630 /nfs/dbraw/zinc/25/86/30/177258630.db2.gz LSFBHUKTSFOBQJ-ZIAGYGMSSA-N 1 2 271.364 2.482 10 0 CEAELO CCN(C(=O)C[NH+]1[C@H](C)COC[C@H]1C)C1CCCCC1 ZINC000077370905 177259736 /nfs/dbraw/zinc/25/97/36/177259736.db2.gz QXUOFFWKWUVLHI-ZIAGYGMSSA-N 1 2 282.428 2.277 10 0 CEAELO Cc1[nH]c2ccccc2c1C(=O)NCCc1c[nH+]c[nH]1 ZINC000078741324 177379773 /nfs/dbraw/zinc/37/97/73/177379773.db2.gz QNFMBMJTRUGYDR-UHFFFAOYSA-N 1 2 268.320 2.172 10 0 CEAELO Cc1[nH]c2ccccc2c1C(=O)NCCc1c[nH]c[nH+]1 ZINC000078741324 177379774 /nfs/dbraw/zinc/37/97/74/177379774.db2.gz QNFMBMJTRUGYDR-UHFFFAOYSA-N 1 2 268.320 2.172 10 0 CEAELO C[C@H](NC(=O)NCC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875875 260288708 /nfs/dbraw/zinc/28/87/08/260288708.db2.gz RJSHTZWGHSKCAF-JTQLQIEISA-N 1 2 294.305 2.498 10 0 CEAELO CC(C)[C@@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000043067986 270228449 /nfs/dbraw/zinc/22/84/49/270228449.db2.gz YXXBFGTZLSQMCN-GFCCVEGCSA-N 1 2 264.373 2.227 10 0 CEAELO CC(C)(C)CCNC(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000121986478 277141071 /nfs/dbraw/zinc/14/10/71/277141071.db2.gz KSTVAARANUVUFE-UONOGXRCSA-N 1 2 282.428 2.182 10 0 CEAELO CC(C)(C)CCNC(=O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000121986478 277141072 /nfs/dbraw/zinc/14/10/72/277141072.db2.gz KSTVAARANUVUFE-UONOGXRCSA-N 1 2 282.428 2.182 10 0 CEAELO CC1(c2ccccc2)CC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263146703 278476523 /nfs/dbraw/zinc/47/65/23/278476523.db2.gz CUXNBXLPCXSKAN-OWYJLGKBSA-N 1 2 294.345 2.220 10 0 CEAELO CCCNc1snnc1C[N@H+](C)[C@@H]1CCSC1 ZINC000050813294 520203256 /nfs/dbraw/zinc/20/32/56/520203256.db2.gz QRYJDUYMSHFBQK-SECBINFHSA-N 1 2 272.443 2.297 10 0 CEAELO CCCNc1snnc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000050813294 520203263 /nfs/dbraw/zinc/20/32/63/520203263.db2.gz QRYJDUYMSHFBQK-SECBINFHSA-N 1 2 272.443 2.297 10 0 CEAELO CCC[NH2+][C@@H](CCOCCCC(C)C)C(=O)OC ZINC000062543094 520002121 /nfs/dbraw/zinc/00/21/21/520002121.db2.gz XDDGWWRKEIESQN-ZDUSSCGKSA-N 1 2 259.390 2.371 10 0 CEAELO CCC[NH2+][C@@H](CCOc1ccc(OCC)cc1)C(=O)OC ZINC000062547595 520004024 /nfs/dbraw/zinc/00/40/24/520004024.db2.gz TUXUOHLXHMAJBR-HNNXBMFYSA-N 1 2 295.379 2.395 10 0 CEAELO CCC[NH2+][C@H](CCN1CCc2ccccc21)C(=O)OCC ZINC000062439212 520077898 /nfs/dbraw/zinc/07/78/98/520077898.db2.gz QETYPWSXBVGGKA-OAHLLOKOSA-N 1 2 290.407 2.371 10 0 CEAELO CC[NH2+][C@@H](CCOc1cc(F)cc(F)c1)C(=O)OCC ZINC000062596223 520091329 /nfs/dbraw/zinc/09/13/29/520091329.db2.gz UPYKVSRBOBZGKV-ZDUSSCGKSA-N 1 2 287.306 2.275 10 0 CEAELO CC[NH2+][C@@H](CCN1c2ccccc2C[C@@H]1C)C(=O)OCC ZINC000062437244 520091654 /nfs/dbraw/zinc/09/16/54/520091654.db2.gz LMAQOLZKBFNLHT-ZFWWWQNUSA-N 1 2 290.407 2.369 10 0 CEAELO CCC[NH2+][C@](CO[C@H](C)CC)(C(=O)OC)C1CC1 ZINC000069198213 520123311 /nfs/dbraw/zinc/12/33/11/520123311.db2.gz RFAJCWQOPNFAEE-RISCZKNCSA-N 1 2 257.374 2.123 10 0 CEAELO CC[NH2+][C@@](C[N@@H+](CC)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069099216 520151568 /nfs/dbraw/zinc/15/15/68/520151568.db2.gz SEEXHGDOJLDFQE-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@@](C[N@H+](CC)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069099216 520151566 /nfs/dbraw/zinc/15/15/66/520151566.db2.gz SEEXHGDOJLDFQE-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@@](COc1cccc(C)c1)(C(=O)OC)C1CC1 ZINC000069197423 520157790 /nfs/dbraw/zinc/15/77/90/520157790.db2.gz BRXBPFJNTHKOIR-MRXNPFEDSA-N 1 2 277.364 2.305 10 0 CEAELO CCCCC[N@H+](C[C@]([NH2+]C)(C(=O)[O-])C1CC1)C(C)C ZINC000069132325 520173765 /nfs/dbraw/zinc/17/37/65/520173765.db2.gz FDFFBBFEIZTQAZ-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CCCCC[N@@H+](C[C@]([NH2+]C)(C(=O)[O-])C1CC1)C(C)C ZINC000069132325 520173769 /nfs/dbraw/zinc/17/37/69/520173769.db2.gz FDFFBBFEIZTQAZ-OAHLLOKOSA-N 1 2 270.417 2.340 10 0 CEAELO CC[NH2+][C@H](CCN1CCCc2ccccc21)C(=O)OCC ZINC000062442589 520188498 /nfs/dbraw/zinc/18/84/98/520188498.db2.gz SJSTVKGLLJALCE-OAHLLOKOSA-N 1 2 290.407 2.371 10 0 CEAELO CCCCCOC[C@@]([NH2+]CC)(C(=O)OC)C1CC1 ZINC000069198095 520245719 /nfs/dbraw/zinc/24/57/19/520245719.db2.gz ZBMUBNLFGFPZTO-AWEZNQCLSA-N 1 2 257.374 2.125 10 0 CEAELO CCNc1cc(COc2ccc(C(N)=O)cc2)cc[nH+]1 ZINC000052755276 520272591 /nfs/dbraw/zinc/27/25/91/520272591.db2.gz IWVBKCDOJWTAPO-UHFFFAOYSA-N 1 2 271.320 2.191 10 0 CEAELO CC[NH+](CC)C[C@H](C)Nc1[nH+]c(C)ccc1C(=O)[O-] ZINC000054531129 520736186 /nfs/dbraw/zinc/73/61/86/520736186.db2.gz KNMOTVJNTHUIIA-NSHDSACASA-N 1 2 265.357 2.230 10 0 CEAELO CCOC(=O)[C@@H](C)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000049374815 521021889 /nfs/dbraw/zinc/02/18/89/521021889.db2.gz UHMXTJZGABMFFH-PWSUYJOCSA-N 1 2 278.377 2.372 10 0 CEAELO CCOC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccc(O)cc1 ZINC000049368015 521029133 /nfs/dbraw/zinc/02/91/33/521029133.db2.gz IXZHAYHRHNRHNZ-ZWNOBZJWSA-N 1 2 251.326 2.385 10 0 CEAELO CCOC(=O)[C@@H](CCO[C@H]1CCCC[C@@H]1C)[NH2+]C ZINC000062543860 521060104 /nfs/dbraw/zinc/06/01/04/521060104.db2.gz VGDPHYUKEKTKNJ-XQQFMLRXSA-N 1 2 257.374 2.123 10 0 CEAELO CCOC(=O)[C@@](C)(CSc1cc(C)nn1C)[NH2+]C(C)C ZINC000052311856 521147713 /nfs/dbraw/zinc/14/77/13/521147713.db2.gz USINQULGRKPGDS-CQSZACIVSA-N 1 2 299.440 2.140 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@@H](C)n1nc(C)c(C)c1C)[NH2+]C ZINC000068649152 521151315 /nfs/dbraw/zinc/15/13/15/521151315.db2.gz DNNAJIXLWKLJFH-MEBBXXQBSA-N 1 2 281.400 2.301 10 0 CEAELO CCN(CC[C@H]([NH2+]C1CC1)C(=O)OC)c1ccc(F)cc1 ZINC000062530505 521161178 /nfs/dbraw/zinc/16/11/78/521161178.db2.gz NJDYMPDKBMQHOE-HNNXBMFYSA-N 1 2 294.370 2.336 10 0 CEAELO CCC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000157500785 521172907 /nfs/dbraw/zinc/17/29/07/521172907.db2.gz HYUFCCUMLXAANW-UTUOFQBUSA-N 1 2 257.374 2.264 10 0 CEAELO CCOC(=O)[C@](COC1CCCC1)([NH2+]C1CC1)C1CC1 ZINC000069196792 521340293 /nfs/dbraw/zinc/34/02/93/521340293.db2.gz LJOGZIFQRYUAAT-MRXNPFEDSA-N 1 2 281.396 2.410 10 0 CEAELO CCOC(=O)c1ccc(-n2c[nH+]c(C)c2C)c(N)c1 ZINC000051927530 521461280 /nfs/dbraw/zinc/46/12/80/521461280.db2.gz QTZGDOJYOFIGLD-UHFFFAOYSA-N 1 2 259.309 2.248 10 0 CEAELO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000186294299 521604282 /nfs/dbraw/zinc/60/42/82/521604282.db2.gz WAQXVAFXMCMXHY-NSHDSACASA-N 1 2 291.351 2.349 10 0 CEAELO COc1cc(-c2nc(N)c3c([nH+]2)CCCC3)ccc1O ZINC000050867117 521903639 /nfs/dbraw/zinc/90/36/39/521903639.db2.gz ZFGFTUMBWUBWAS-UHFFFAOYSA-N 1 2 271.320 2.319 10 0 CEAELO CN(C)c1nc(Cl)nc(Nc2ccc([NH+](C)C)cc2)n1 ZINC000061538080 522237938 /nfs/dbraw/zinc/23/79/38/522237938.db2.gz MMJFIRLTXWCUGF-UHFFFAOYSA-N 1 2 292.774 2.401 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)Oc1ccc(F)c(F)c1)C(=O)OC ZINC000068657786 522419683 /nfs/dbraw/zinc/41/96/83/522419683.db2.gz FHJPUFBFBYKESM-XPTSAGLGSA-N 1 2 287.306 2.273 10 0 CEAELO C[NH2+][C@@](CSc1ccccc1)(C(=O)OC)C1CC1 ZINC000069185509 522433502 /nfs/dbraw/zinc/43/35/02/522433502.db2.gz JBPUYNSCWWQHAQ-CQSZACIVSA-N 1 2 265.378 2.320 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)n1ncc2ccccc21)C(=O)OC ZINC000068649711 522523069 /nfs/dbraw/zinc/52/30/69/522523069.db2.gz OYFJAXZIQZOTNM-IAQYHMDHSA-N 1 2 275.352 2.139 10 0 CEAELO CNc1ccc(Cn2c3ccccc3oc2=O)c[nH+]1 ZINC000050829044 522628578 /nfs/dbraw/zinc/62/85/78/522628578.db2.gz BLZHVWUORWHMDV-UHFFFAOYSA-N 1 2 255.277 2.080 10 0 CEAELO CNc1nc(-c2ccc(O)c(OC)c2)[nH+]c2c1CCC2 ZINC000050867557 522674849 /nfs/dbraw/zinc/67/48/49/522674849.db2.gz PWLZTKDQHYCLOK-UHFFFAOYSA-N 1 2 271.320 2.388 10 0 CEAELO CNc1nc(C[NH+]2CCC(OC)CC2)nc2sccc21 ZINC000050813385 522681125 /nfs/dbraw/zinc/68/11/25/522681125.db2.gz IZAXVEAAJFTLIU-UHFFFAOYSA-N 1 2 292.408 2.344 10 0 CEAELO CCn1cc[nH+]c1-c1cc(OC)c(OC)cc1C=O ZINC000069474141 523511162 /nfs/dbraw/zinc/51/11/62/523511162.db2.gz RMQZBYLVTSVMGX-UHFFFAOYSA-N 1 2 260.293 2.400 10 0 CEAELO COC(=O)[C@@H](CCOc1ccc2c(c1)CCC2)[NH2+]C(C)C ZINC000062545647 523574458 /nfs/dbraw/zinc/57/44/58/523574458.db2.gz VKBUUQQREDGBNN-MRXNPFEDSA-N 1 2 291.391 2.484 10 0 CEAELO CC[C@H](C)N1CC[NH+]([C@@H]2CNc3ccccc3C2)CC1 ZINC000055067316 523957848 /nfs/dbraw/zinc/95/78/48/523957848.db2.gz XTQVVGRXUMDJHC-HOCLYGCPSA-N 1 2 273.424 2.439 10 0 CEAELO COC(=O)[C@](COC1CCCCC1)([NH2+]C1CC1)C1CC1 ZINC000069196774 524005120 /nfs/dbraw/zinc/00/51/20/524005120.db2.gz BPQMCIYVUWTHLX-MRXNPFEDSA-N 1 2 281.396 2.410 10 0 CEAELO Cc1cc(C)c(C(=O)C[NH+]2CCC(O)CC2)c(C)c1 ZINC000049537527 524217672 /nfs/dbraw/zinc/21/76/72/524217672.db2.gz DQHYIZCBGRZNQI-UHFFFAOYSA-N 1 2 261.365 2.251 10 0 CEAELO C[C@@H]1CCC[N@H+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)[C@@H]1C ZINC000069231591 524231204 /nfs/dbraw/zinc/23/12/04/524231204.db2.gz ZKLSUJVZZMUZND-XHBSWPGZSA-N 1 2 280.412 2.092 10 0 CEAELO C[C@@H]1CCC[N@@H+](C[C@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)[C@@H]1C ZINC000069231591 524231212 /nfs/dbraw/zinc/23/12/12/524231212.db2.gz ZKLSUJVZZMUZND-XHBSWPGZSA-N 1 2 280.412 2.092 10 0 CEAELO Cc1ccc(Cn2[nH]c(C(C)C)c(CC[NH3+])c2=O)cc1 ZINC000069506241 524483919 /nfs/dbraw/zinc/48/39/19/524483919.db2.gz XQKUFOMTYWVMAK-AWEZNQCLSA-N 1 2 273.380 2.314 10 0 CEAELO C[C@H](Cn1cc[nH+]c1)Nc1ncc(Br)cc1N ZINC000049234823 524795887 /nfs/dbraw/zinc/79/58/87/524795887.db2.gz HEDFLEDDBIRLJR-MRVPVSSYSA-N 1 2 296.172 2.123 10 0 CEAELO C[C@@H](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])[NH+]1Cc2ccccc2C1 ZINC000068641963 524852433 /nfs/dbraw/zinc/85/24/33/524852433.db2.gz PFLUYZXUMWQOGJ-YVEFUNNKSA-N 1 2 288.391 2.376 10 0 CEAELO Cc1ccccc1Cn1[nH]c(C(C)C)c(CC[NH3+])c1=O ZINC000069506514 525145792 /nfs/dbraw/zinc/14/57/92/525145792.db2.gz GZUJDGJUBWWLPV-AWEZNQCLSA-N 1 2 273.380 2.314 10 0 CEAELO Cc1ccnc(N2N=C(C(C)(C)C)[C@H](CCC[NH3+])C2=O)c1 ZINC000069507126 525675437 /nfs/dbraw/zinc/67/54/37/525675437.db2.gz AOUYFBJJBNAHFR-LBPRGKRZSA-N 1 2 288.395 2.494 10 0 CEAELO Clc1nnc(NCC[NH+]2CCOCC2)c2ccccc12 ZINC000050529201 527011932 /nfs/dbraw/zinc/01/19/32/527011932.db2.gz ZFGVLZQMENIVMN-UHFFFAOYSA-N 1 2 292.770 2.027 10 0 CEAELO O=S1(=O)CCC[C@H](Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000069136387 527304671 /nfs/dbraw/zinc/30/46/71/527304671.db2.gz UOSOBMOOGKBNTR-ZDUSSCGKSA-N 1 2 291.376 2.066 10 0 CEAELO CCC[N@@H+](Cc1nnc(C2CC2)n1C)C[C@H]1CCCCO1 ZINC000170958226 528156190 /nfs/dbraw/zinc/15/61/90/528156190.db2.gz ZUJQDAWENURTOO-CQSZACIVSA-N 1 2 292.427 2.474 10 0 CEAELO CCC[N@H+](Cc1nnc(C2CC2)n1C)C[C@H]1CCCCO1 ZINC000170958226 528156196 /nfs/dbraw/zinc/15/61/96/528156196.db2.gz ZUJQDAWENURTOO-CQSZACIVSA-N 1 2 292.427 2.474 10 0 CEAELO COC(=O)[C@H](C)[C@@H](C)[N@@H+]1CCCc2cc(N)ccc21 ZINC000093038391 536642945 /nfs/dbraw/zinc/64/29/45/536642945.db2.gz PRCJXXFUOLIGFE-GHMZBOCLSA-N 1 2 262.353 2.219 10 0 CEAELO COC(=O)[C@H](C)[C@@H](C)[N@H+]1CCCc2cc(N)ccc21 ZINC000093038391 536642949 /nfs/dbraw/zinc/64/29/49/536642949.db2.gz PRCJXXFUOLIGFE-GHMZBOCLSA-N 1 2 262.353 2.219 10 0 CEAELO Clc1cnn(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000152765296 640320849 /nfs/dbraw/zinc/32/08/49/640320849.db2.gz ZTHABDJPLSMAKY-UHFFFAOYSA-N 1 2 279.775 2.103 10 0 CEAELO CCn1cc[nH+]c1Cn1ccnc1[C@H](O)c1ccccc1 ZINC000154790024 640981798 /nfs/dbraw/zinc/98/17/98/640981798.db2.gz NELAKEUAJYNYSG-OAHLLOKOSA-N 1 2 282.347 2.230 10 0 CEAELO COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000095532694 185005082 /nfs/dbraw/zinc/00/50/82/185005082.db2.gz KLSGCIMNDGHKDY-SNVBAGLBSA-N 1 2 261.243 2.481 10 0 CEAELO Cc1cc2c(nc(C[C@H]3CCCO3)[nH+]c2NN)s1 ZINC000082485788 178055512 /nfs/dbraw/zinc/05/55/12/178055512.db2.gz QIBDQTREPLNMJF-MRVPVSSYSA-N 1 2 264.354 2.007 10 0 CEAELO CCOC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000033609922 361782149 /nfs/dbraw/zinc/78/21/49/361782149.db2.gz UIHYJSVUZKBTQY-NSHDSACASA-N 1 2 272.142 2.186 10 0 CEAELO C[C@H]([NH2+]CC(N)=O)c1c(Cl)ccc(F)c1Cl ZINC000037116303 361898261 /nfs/dbraw/zinc/89/82/61/361898261.db2.gz JRILQOWDSINRBG-YFKPBYRVSA-N 1 2 265.115 2.268 10 0 CEAELO CCn1cc[nH+]c1C[S@@](=O)c1ccccc1OC ZINC000177293534 529582567 /nfs/dbraw/zinc/58/25/67/529582567.db2.gz IZOQMLLIRNCZTB-GOSISDBHSA-N 1 2 264.350 2.219 10 0 CEAELO C[N@@H+]1CCC[C@H]1c1cncc(I)c1 ZINC000039045431 343435319 /nfs/dbraw/zinc/43/53/19/343435319.db2.gz RXAHTJZPGQEDRZ-JTQLQIEISA-N 1 2 288.132 2.453 10 0 CEAELO C[N@H+]1CCC[C@H]1c1cncc(I)c1 ZINC000039045431 343435321 /nfs/dbraw/zinc/43/53/21/343435321.db2.gz RXAHTJZPGQEDRZ-JTQLQIEISA-N 1 2 288.132 2.453 10 0 CEAELO C[C@H]1CC[NH2+]C2(CN(C(=O)OC(C)(C)C)C2)S1 ZINC000159172063 344453863 /nfs/dbraw/zinc/45/38/63/344453863.db2.gz LTZWWGYWAQHASQ-VIFPVBQESA-N 1 2 258.387 2.048 10 0 CEAELO c1ccc(C[N@@H+]2CCc3nc4ncccn4c3C2)cc1 ZINC000163475378 344470284 /nfs/dbraw/zinc/47/02/84/344470284.db2.gz FSFPDXDISHNWBR-UHFFFAOYSA-N 1 2 264.332 2.288 10 0 CEAELO c1ccc(C[N@H+]2CCc3nc4ncccn4c3C2)cc1 ZINC000163475378 344470288 /nfs/dbraw/zinc/47/02/88/344470288.db2.gz FSFPDXDISHNWBR-UHFFFAOYSA-N 1 2 264.332 2.288 10 0 CEAELO CCn1cc[nH+]c1CNc1cccnc1-n1cccn1 ZINC000051923024 362451037 /nfs/dbraw/zinc/45/10/37/362451037.db2.gz WOUJUTMLMRGCJN-UHFFFAOYSA-N 1 2 268.324 2.096 10 0 CEAELO CC[NH2+][C@H](c1csnn1)c1ccc(OC)c(F)c1 ZINC000097129921 185542087 /nfs/dbraw/zinc/54/20/87/185542087.db2.gz DUOUBILKLJPRIE-LBPRGKRZSA-N 1 2 267.329 2.385 10 0 CEAELO CCC[C@@H]1[NH2+]C2(CCCC2)C(=O)N1C1CCC(O)CC1 ZINC000097678924 185650492 /nfs/dbraw/zinc/65/04/92/185650492.db2.gz BILMFACNOWZUSN-JXQTWKCFSA-N 1 2 280.412 2.161 10 0 CEAELO C[C@@H]1C[S@@](=O)C[C@H](c2cccc(Br)c2)[NH2+]1 ZINC000085311857 179013880 /nfs/dbraw/zinc/01/38/80/179013880.db2.gz OWOLJPJOBXYKCB-UQHVFFSPSA-N 1 2 288.210 2.231 10 0 CEAELO CCc1[nH+]c(C2CCOCC2)nc(N)c1Br ZINC000085460410 179068859 /nfs/dbraw/zinc/06/88/59/179068859.db2.gz OXQMTBCHSXASST-UHFFFAOYSA-N 1 2 286.173 2.278 10 0 CEAELO [NH3+][C@]1(c2nc([C@H]3CCCc4ccccc43)no2)CCOC1 ZINC000085852475 179188472 /nfs/dbraw/zinc/18/84/72/179188472.db2.gz SBPDSFAPCWJKPK-XJKSGUPXSA-N 1 2 285.347 2.112 10 0 CEAELO CC(C)(c1noc([C@@]2([NH3+])CCOC2)n1)c1ccc(F)cc1 ZINC000085852727 179188919 /nfs/dbraw/zinc/18/89/19/179188919.db2.gz PXSLMTANEBSBNI-OAHLLOKOSA-N 1 2 291.326 2.109 10 0 CEAELO CCCc1[nH+]c(-c2ccc(OC)c(Cl)c2)c(N)n1N ZINC000086584335 179308935 /nfs/dbraw/zinc/30/89/35/179308935.db2.gz XFPZNJIMIZMLMQ-UHFFFAOYSA-N 1 2 280.759 2.461 10 0 CEAELO CCOC(=O)[C@@H](CCSc1nc(C)c(C)c(C)n1)[NH2+]C ZINC000086644964 179316396 /nfs/dbraw/zinc/31/63/96/179316396.db2.gz CFKQJCMTLTUKIU-GFCCVEGCSA-N 1 2 297.424 2.035 10 0 CEAELO CC(C)CC1(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC000130279351 365940412 /nfs/dbraw/zinc/94/04/12/365940412.db2.gz HVJQVGJDQDEGKQ-CQSZACIVSA-N 1 2 282.428 2.040 10 0 CEAELO CC(C)CC1(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000130279351 365940419 /nfs/dbraw/zinc/94/04/19/365940419.db2.gz HVJQVGJDQDEGKQ-CQSZACIVSA-N 1 2 282.428 2.040 10 0 CEAELO NNc1[nH+]c(CCC(F)(F)F)nc2sccc21 ZINC000086980844 179372884 /nfs/dbraw/zinc/37/28/84/179372884.db2.gz CXJXUBNAWIIERZ-UHFFFAOYSA-N 1 2 262.260 2.472 10 0 CEAELO c1ccc2c(c1)C[NH2+][C@H](c1nc([C@H]3CCCOC3)no1)C2 ZINC000087813453 179490411 /nfs/dbraw/zinc/49/04/11/179490411.db2.gz MFWJMOIPWRDHIX-KBPBESRZSA-N 1 2 285.347 2.351 10 0 CEAELO c1ccc(C[N@@H+]2CCO[C@@H](c3cccnn3)C2)cc1 ZINC000616644084 348545523 /nfs/dbraw/zinc/54/55/23/348545523.db2.gz HTOOBXUAEJSGNK-OAHLLOKOSA-N 1 2 255.321 2.050 10 0 CEAELO c1ccc(C[N@H+]2CCO[C@@H](c3cccnn3)C2)cc1 ZINC000616644084 348545527 /nfs/dbraw/zinc/54/55/27/348545527.db2.gz HTOOBXUAEJSGNK-OAHLLOKOSA-N 1 2 255.321 2.050 10 0 CEAELO CC(C)(C)OC(=O)N1CCCO[C@@H](c2ccc[nH+]c2N)C1 ZINC000616651071 348548643 /nfs/dbraw/zinc/54/86/43/348548643.db2.gz JDXVRODKVNDUBN-GFCCVEGCSA-N 1 2 293.367 2.362 10 0 CEAELO CC(=O)N1C[C@@H](c2cc[nH+]c(N)c2)Nc2ccccc21 ZINC000616582907 348525973 /nfs/dbraw/zinc/52/59/73/348525973.db2.gz FFSZKBZKUWMBQG-ZDUSSCGKSA-N 1 2 268.320 2.014 10 0 CEAELO CC(=O)N1c2ccccc2NC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616587837 348527005 /nfs/dbraw/zinc/52/70/05/348527005.db2.gz ULUOTVGURSQNRK-CQSZACIVSA-N 1 2 268.320 2.014 10 0 CEAELO c1ccc(C[N@@H+]2CCO[C@H](Nc3ccccn3)C2)cc1 ZINC000616604163 348531668 /nfs/dbraw/zinc/53/16/68/348531668.db2.gz RGTWTUPSDICLHR-INIZCTEOSA-N 1 2 269.348 2.352 10 0 CEAELO c1ccc(C[N@H+]2CCO[C@H](Nc3ccccn3)C2)cc1 ZINC000616604163 348531671 /nfs/dbraw/zinc/53/16/71/348531671.db2.gz RGTWTUPSDICLHR-INIZCTEOSA-N 1 2 269.348 2.352 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1c1conn1 ZINC000616614428 348534803 /nfs/dbraw/zinc/53/48/03/348534803.db2.gz FQOQJZDQTGNFQR-GFCCVEGCSA-N 1 2 296.371 2.121 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H]1c1conn1 ZINC000616614428 348534805 /nfs/dbraw/zinc/53/48/05/348534805.db2.gz FQOQJZDQTGNFQR-GFCCVEGCSA-N 1 2 296.371 2.121 10 0 CEAELO COC(=O)N1C[C@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616672246 348555888 /nfs/dbraw/zinc/55/58/88/348555888.db2.gz YLVQVUYTFNSAHQ-LLVKDONJSA-N 1 2 257.293 2.322 10 0 CEAELO COC(=O)N1C[C@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616672246 348555891 /nfs/dbraw/zinc/55/58/91/348555891.db2.gz YLVQVUYTFNSAHQ-LLVKDONJSA-N 1 2 257.293 2.322 10 0 CEAELO CC(=O)N1C[C@H](c2cc[nH+]c(N)c2)Cc2ccccc21 ZINC000616674856 348556694 /nfs/dbraw/zinc/55/66/94/348556694.db2.gz YCEWTGQLCKRPMZ-CQSZACIVSA-N 1 2 267.332 2.187 10 0 CEAELO COC(=O)N1C[C@@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616672963 348556911 /nfs/dbraw/zinc/55/69/11/348556911.db2.gz YLVQVUYTFNSAHQ-NSHDSACASA-N 1 2 257.293 2.322 10 0 CEAELO COC(=O)N1C[C@@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616672963 348556915 /nfs/dbraw/zinc/55/69/15/348556915.db2.gz YLVQVUYTFNSAHQ-NSHDSACASA-N 1 2 257.293 2.322 10 0 CEAELO CC(C)n1ncnc1Cn1cc[nH+]c1-c1ccc(N)cc1 ZINC000088592895 179631956 /nfs/dbraw/zinc/63/19/56/179631956.db2.gz ZHPNMGZANXOTBE-UHFFFAOYSA-N 1 2 282.351 2.353 10 0 CEAELO CCC[NH2+][C@](CO[C@@H](C)C(F)(F)F)(C(=O)OC)C1CC1 ZINC000090674460 180021838 /nfs/dbraw/zinc/02/18/38/180021838.db2.gz NWBOREMHCYLFHG-CABZTGNLSA-N 1 2 297.317 2.275 10 0 CEAELO CCOC(=O)C[N@H+](C[C@H]1Cc2ccccc2O1)C(C)C ZINC000090876771 180052259 /nfs/dbraw/zinc/05/22/59/180052259.db2.gz KIEXAJBUFMRKHG-CQSZACIVSA-N 1 2 277.364 2.264 10 0 CEAELO CCOC(=O)C[N@@H+](C[C@H]1Cc2ccccc2O1)C(C)C ZINC000090876771 180052261 /nfs/dbraw/zinc/05/22/61/180052261.db2.gz KIEXAJBUFMRKHG-CQSZACIVSA-N 1 2 277.364 2.264 10 0 CEAELO CC[C@H](C)[C@H]([NH2+]Cc1ccn(CC)c1)C(=O)OC ZINC000091011635 180085897 /nfs/dbraw/zinc/08/58/97/180085897.db2.gz LUXFOEOEFWBUER-AAEUAGOBSA-N 1 2 252.358 2.185 10 0 CEAELO CCCN[C@@H](C(=O)OCC)c1c[nH+]cn1C(C)C ZINC000091272640 180117625 /nfs/dbraw/zinc/11/76/25/180117625.db2.gz XXSMIMCEMCINKD-GFCCVEGCSA-N 1 2 253.346 2.068 10 0 CEAELO Cc1[nH+]cccc1N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091495615 180171419 /nfs/dbraw/zinc/17/14/19/180171419.db2.gz MAKOESRWBYLRKC-JTQLQIEISA-N 1 2 291.376 2.211 10 0 CEAELO CC(C)([C@H](O)c1c(F)cccc1F)[NH+]1CCOCC1 ZINC000091565842 180193415 /nfs/dbraw/zinc/19/34/15/180193415.db2.gz BLFOFPBTKXARAQ-CYBMUJFWSA-N 1 2 271.307 2.109 10 0 CEAELO CCN[C@H](c1cncnc1)C(C)(C)[NH+]1CCCCC1 ZINC000091565079 180193657 /nfs/dbraw/zinc/19/36/57/180193657.db2.gz OAWXYGQSIZZQNB-CQSZACIVSA-N 1 2 262.401 2.392 10 0 CEAELO CC(C)(C(=O)CCCS(C)(=O)=O)[NH+]1CCCCCC1 ZINC000091567291 180194689 /nfs/dbraw/zinc/19/46/89/180194689.db2.gz OHRYUYFUXFSPOB-UHFFFAOYSA-N 1 2 289.441 2.035 10 0 CEAELO 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CEAELO CCn1cc[nH+]c1CNc1cc(Cl)ccc1C(N)=O ZINC000177093615 368259028 /nfs/dbraw/zinc/25/90/28/368259028.db2.gz SDPGXOVCIYWWRB-UHFFFAOYSA-N 1 2 278.743 2.267 10 0 CEAELO CC[C@H]1C[N@@H+]([C@H](C)c2ccccn2)CCN1CCOC ZINC000246352378 370949215 /nfs/dbraw/zinc/94/92/15/370949215.db2.gz MGPYADZNBXWQPH-CABCVRRESA-N 1 2 277.412 2.185 10 0 CEAELO CC[C@H]1C[N@H+]([C@H](C)c2ccccn2)CCN1CCOC ZINC000246352378 370949220 /nfs/dbraw/zinc/94/92/20/370949220.db2.gz MGPYADZNBXWQPH-CABCVRRESA-N 1 2 277.412 2.185 10 0 CEAELO CC(C)C[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000185767540 368855705 /nfs/dbraw/zinc/85/57/05/368855705.db2.gz BLYUEQJQKWXCHC-UHFFFAOYSA-N 1 2 260.341 2.129 10 0 CEAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CCOc1ccccc1F ZINC000186346555 368960359 /nfs/dbraw/zinc/96/03/59/368960359.db2.gz DXYDQSPVCYMHJN-OAHLLOKOSA-N 1 2 281.327 2.232 10 0 CEAELO COC(=O)[C@@]1(C)CCC[N@H+]1CCOc1ccccc1F ZINC000186346555 368960362 /nfs/dbraw/zinc/96/03/62/368960362.db2.gz DXYDQSPVCYMHJN-OAHLLOKOSA-N 1 2 281.327 2.232 10 0 CEAELO CC(C)n1cc[nH+]c1CSc1nc2cncnc2[nH]1 ZINC000186765524 369037440 /nfs/dbraw/zinc/03/74/40/369037440.db2.gz KIZHOKQGIQNGEA-UHFFFAOYSA-N 1 2 274.353 2.423 10 0 CEAELO CCn1cc([C@@H]2C[N@@H+]([C@H](C)c3ccccn3)CCO2)cn1 ZINC000248695873 371236020 /nfs/dbraw/zinc/23/60/20/371236020.db2.gz CKCCLMFDPGTMPQ-CJNGLKHVSA-N 1 2 286.379 2.433 10 0 CEAELO CCn1cc([C@@H]2C[N@H+]([C@H](C)c3ccccn3)CCO2)cn1 ZINC000248695873 371236027 /nfs/dbraw/zinc/23/60/27/371236027.db2.gz CKCCLMFDPGTMPQ-CJNGLKHVSA-N 1 2 286.379 2.433 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000249054299 371287656 /nfs/dbraw/zinc/28/76/56/371287656.db2.gz INVPOIXMJIGIEK-UTUOFQBUSA-N 1 2 257.374 2.216 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000249054299 371287659 /nfs/dbraw/zinc/28/76/59/371287659.db2.gz INVPOIXMJIGIEK-UTUOFQBUSA-N 1 2 257.374 2.216 10 0 CEAELO COc1cc[nH+]c(CN2CCO[C@@H]3CCCC[C@H]32)c1OC ZINC000249060559 371289194 /nfs/dbraw/zinc/28/91/94/371289194.db2.gz 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/nfs/dbraw/zinc/46/35/94/374463594.db2.gz FPZMCESYGHORLE-LLVKDONJSA-N 1 2 268.382 2.274 10 0 CEAELO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccc(F)c(Cl)c1 ZINC000283896470 375777792 /nfs/dbraw/zinc/77/77/92/375777792.db2.gz JGPOHKOOAUTTJX-SSDOTTSWSA-N 1 2 254.696 2.448 10 0 CEAELO C[C@H](CNc1nc(C(C)(C)C)ns1)[N@@H+]1CCOC[C@@H]1C ZINC000302411664 379369856 /nfs/dbraw/zinc/36/98/56/379369856.db2.gz HUPBJFOJGBNANL-MNOVXSKESA-N 1 2 298.456 2.357 10 0 CEAELO C[C@H](CNc1nc(C(C)(C)C)ns1)[N@H+]1CCOC[C@@H]1C ZINC000302411664 379369866 /nfs/dbraw/zinc/36/98/66/379369866.db2.gz HUPBJFOJGBNANL-MNOVXSKESA-N 1 2 298.456 2.357 10 0 CEAELO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccc(F)c(F)c1 ZINC000181635015 542274990 /nfs/dbraw/zinc/27/49/90/542274990.db2.gz UODCRHRNPZVDAU-MRVPVSSYSA-N 1 2 264.279 2.188 10 0 CEAELO Cc1ccc([C@H](C)[NH2+]Cc2cn(Cc3cccnc3)nn2)o1 ZINC000183401211 542291855 /nfs/dbraw/zinc/29/18/55/542291855.db2.gz YDMOPAAEXOEQGE-ZDUSSCGKSA-N 1 2 297.362 2.474 10 0 CEAELO Cc1ccccc1[C@H](C)NC(=O)Cc1c[nH+]cn1C 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CC(C)c1[nH+]c2c(n1C)CCN(Cc1cocn1)C2 ZINC000191942011 130334867 /nfs/dbraw/zinc/33/48/67/130334867.db2.gz KYOMZZZNXSTZGK-UHFFFAOYSA-N 1 2 260.341 2.090 10 0 CEAELO C[C@@H]1C[C@@H](C)CN(c2nc(N)[nH+]cc2Br)C1 ZINC000087805640 135051510 /nfs/dbraw/zinc/05/15/10/135051510.db2.gz UVBWAXNHPHTOJE-HTQZYQBOSA-N 1 2 285.189 2.304 10 0 CEAELO CC[C@@H]1CO[C@@H](C)CN1c1nc[nH+]c2cc(N)ccc21 ZINC000087820134 135051640 /nfs/dbraw/zinc/05/16/40/135051640.db2.gz KOILPVUMBLGTBG-CMPLNLGQSA-N 1 2 272.352 2.216 10 0 CEAELO C[C@@H]1CC[C@@H](C)N(c2nc(N)[nH+]cc2Br)C1 ZINC000087837154 135052069 /nfs/dbraw/zinc/05/20/69/135052069.db2.gz MCINNCZUGYCKID-HTQZYQBOSA-N 1 2 285.189 2.446 10 0 CEAELO COC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000090273600 135062919 /nfs/dbraw/zinc/06/29/19/135062919.db2.gz VZWYMZHABMBJGF-LLVKDONJSA-N 1 2 263.341 2.045 10 0 CEAELO OCc1cc2ccccc2c(N2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000090906830 135065893 /nfs/dbraw/zinc/06/58/93/135065893.db2.gz WXEHKQGAXUAZAY-OKILXGFUSA-N 1 2 270.332 2.095 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292.379 2.267 10 0 CEAELO CC(C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000176531945 395139989 /nfs/dbraw/zinc/13/99/89/395139989.db2.gz VHKRDMQPMXXZIK-ZDUSSCGKSA-N 1 2 296.436 2.236 10 0 CEAELO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cncc(Br)c1 ZINC000399197416 395241888 /nfs/dbraw/zinc/24/18/88/395241888.db2.gz MDCZZBYCARXBRO-CABZTGNLSA-N 1 2 285.185 2.189 10 0 CEAELO C[C@H]1CC[C@H](O)C[N@H+]1Cc1cncc(Br)c1 ZINC000399197416 395241889 /nfs/dbraw/zinc/24/18/89/395241889.db2.gz MDCZZBYCARXBRO-CABZTGNLSA-N 1 2 285.185 2.189 10 0 CEAELO [NH3+][C@@H](c1cscn1)c1ncsc1Br ZINC000575453767 395664412 /nfs/dbraw/zinc/66/44/12/395664412.db2.gz SLYAKMGPAHEFAI-YFKPBYRVSA-N 1 2 276.184 2.410 10 0 CEAELO CCc1nnc(C[N@H+](C)CCOc2cccc(C)c2)n1C ZINC000195039161 153269361 /nfs/dbraw/zinc/26/93/61/153269361.db2.gz ROOYEHFAKIHBFI-UHFFFAOYSA-N 1 2 288.395 2.197 10 0 CEAELO CCc1nnc(C[N@@H+](C)CCOc2cccc(C)c2)n1C ZINC000195039161 153269366 /nfs/dbraw/zinc/26/93/66/153269366.db2.gz ROOYEHFAKIHBFI-UHFFFAOYSA-N 1 2 288.395 2.197 10 0 CEAELO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195441367 153286972 /nfs/dbraw/zinc/28/69/72/153286972.db2.gz JFKKRCQWWQTVDN-WDEREUQCSA-N 1 2 268.382 2.192 10 0 CEAELO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195441367 153286974 /nfs/dbraw/zinc/28/69/74/153286974.db2.gz JFKKRCQWWQTVDN-WDEREUQCSA-N 1 2 268.382 2.192 10 0 CEAELO CCc1csc([C@H]2CCC[N@H+](CC(=O)OC)C2)n1 ZINC000195442763 153288692 /nfs/dbraw/zinc/28/86/92/153288692.db2.gz ZSQYAONYNSTVBD-JTQLQIEISA-N 1 2 268.382 2.058 10 0 CEAELO CCc1csc([C@H]2CCC[N@@H+](CC(=O)OC)C2)n1 ZINC000195442763 153288698 /nfs/dbraw/zinc/28/86/98/153288698.db2.gz ZSQYAONYNSTVBD-JTQLQIEISA-N 1 2 268.382 2.058 10 0 CEAELO CCCCOC(=O)C[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195513053 153291221 /nfs/dbraw/zinc/29/12/21/153291221.db2.gz DQXLAROONUZASF-UHFFFAOYSA-N 1 2 293.411 2.426 10 0 CEAELO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000249355945 153694905 /nfs/dbraw/zinc/69/49/05/153694905.db2.gz YPKOVTCEYNSWSE-KKUMJFAQSA-N 1 2 290.407 2.109 10 0 CEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000263275168 154049418 /nfs/dbraw/zinc/04/94/18/154049418.db2.gz STAFYIYFBPPHBY-KBPBESRZSA-N 1 2 294.345 2.075 10 0 CEAELO CO[C@@H]1CCC[C@@H](Nc2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000301962148 154180966 /nfs/dbraw/zinc/18/09/66/154180966.db2.gz MYFXROHOKPKHJJ-VXGBXAGGSA-N 1 2 293.415 2.431 10 0 CEAELO CO[C@@H]1CCC[C@@H](Nc2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000301962148 154180970 /nfs/dbraw/zinc/18/09/70/154180970.db2.gz MYFXROHOKPKHJJ-VXGBXAGGSA-N 1 2 293.415 2.431 10 0 CEAELO CC(C)c1nc(N[C@H]2CCCn3ncnc32)cc[nH+]1 ZINC000176854755 165177163 /nfs/dbraw/zinc/17/71/63/165177163.db2.gz XXFOANOFPZUCBD-JTQLQIEISA-N 1 2 258.329 2.139 10 0 CEAELO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccco1 ZINC000006999417 170261571 /nfs/dbraw/zinc/26/15/71/170261571.db2.gz SDXNXTMQHBPQGF-JTQLQIEISA-N 1 2 269.304 2.367 10 0 CEAELO CCC(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000020287452 171133600 /nfs/dbraw/zinc/13/36/00/171133600.db2.gz HFTBMMBIZQNMHV-RISCZKNCSA-N 1 2 282.409 2.036 10 0 CEAELO Nc1cc(Cl)cc(Cl)c1NC(=O)Cn1cc[nH+]c1 ZINC000022219283 171376966 /nfs/dbraw/zinc/37/69/66/171376966.db2.gz OEAYJOHTQWBXLS-UHFFFAOYSA-N 1 2 285.134 2.411 10 0 CEAELO C[C@H](Nc1[nH+]cccc1C(N)=S)c1ccncc1 ZINC000035693916 172362803 /nfs/dbraw/zinc/36/28/03/172362803.db2.gz JZUWBLBIQICGEV-VIFPVBQESA-N 1 2 258.350 2.284 10 0 CEAELO CCC(C)(C)NC(=O)[C@H](C)Sc1ccc(N)[nH+]c1 ZINC000037192526 173022214 /nfs/dbraw/zinc/02/22/14/173022214.db2.gz MADCLFBBVLGZPX-VIFPVBQESA-N 1 2 267.398 2.449 10 0 CEAELO CCCNc1[nH+]cnc(Nc2cc(C)ccn2)c1N ZINC000040701226 174378869 /nfs/dbraw/zinc/37/88/69/174378869.db2.gz LMZBGWBNJRQPMU-UHFFFAOYSA-N 1 2 258.329 2.328 10 0 CEAELO Nc1c(Nc2cccnc2)nc[nH+]c1NCc1ccco1 ZINC000040759645 174396909 /nfs/dbraw/zinc/39/69/09/174396909.db2.gz YWICBNFCBMWHIB-UHFFFAOYSA-N 1 2 282.307 2.403 10 0 CEAELO Cc1noc(CNc2ccc3cc(N)ccc3[nH+]2)n1 ZINC000044987958 175285220 /nfs/dbraw/zinc/28/52/20/175285220.db2.gz JHPHTTXNQSLAPI-UHFFFAOYSA-N 1 2 255.281 2.121 10 0 CEAELO CCCNC(=O)CCNc1ccc2[nH+]cccc2c1N ZINC000045071940 175302183 /nfs/dbraw/zinc/30/21/83/175302183.db2.gz FRVFGQPSXGQHQD-UHFFFAOYSA-N 1 2 272.352 2.145 10 0 CEAELO CC[NH2+][C@](C)(CN1c2ccccc2C[C@@H]1C)C(=O)OCC ZINC000045222614 175330862 /nfs/dbraw/zinc/33/08/62/175330862.db2.gz AAEYVUXDWXRMEM-SUMWQHHRSA-N 1 2 290.407 2.369 10 0 CEAELO CCC[NH2+][C@](C)(CCN(C)c1ccccc1)C(=O)OC ZINC000045227727 175333570 /nfs/dbraw/zinc/33/35/70/175333570.db2.gz IHEOBXXNTCVUMZ-MRXNPFEDSA-N 1 2 278.396 2.444 10 0 CEAELO COC(=O)[C@@](C)(CN(C)c1ccccc1)[NH2+]C(C)C ZINC000045227612 175333727 /nfs/dbraw/zinc/33/37/27/175333727.db2.gz IHKJDUYJMOQPQD-OAHLLOKOSA-N 1 2 264.369 2.053 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231695 175335546 /nfs/dbraw/zinc/33/55/46/175335546.db2.gz UAVRNATUWVWFOL-SCRDCRAPSA-N 1 2 256.390 2.092 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231695 175335548 /nfs/dbraw/zinc/33/55/48/175335548.db2.gz UAVRNATUWVWFOL-SCRDCRAPSA-N 1 2 256.390 2.092 10 0 CEAELO C[N@H+](C[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCCCC1 ZINC000045271879 175342301 /nfs/dbraw/zinc/34/23/01/175342301.db2.gz AJADDOQJFGDBMC-HNNXBMFYSA-N 1 2 268.401 2.236 10 0 CEAELO C[N@@H+](C[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCCCC1 ZINC000045271879 175342303 /nfs/dbraw/zinc/34/23/03/175342303.db2.gz AJADDOQJFGDBMC-HNNXBMFYSA-N 1 2 268.401 2.236 10 0 CEAELO CCC[NH2+][C@H](C[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045372079 175364042 /nfs/dbraw/zinc/36/40/42/175364042.db2.gz XAFCPTVRJHAMDO-CYBMUJFWSA-N 1 2 256.390 2.094 10 0 CEAELO CCC[NH2+][C@H](C[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045372079 175364044 /nfs/dbraw/zinc/36/40/44/175364044.db2.gz XAFCPTVRJHAMDO-CYBMUJFWSA-N 1 2 256.390 2.094 10 0 CEAELO CCN(C[C@H]([NH2+]C(C)C)C(=O)OC)c1cccc(F)c1 ZINC000045421301 175379805 /nfs/dbraw/zinc/37/98/05/175379805.db2.gz 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/nfs/dbraw/zinc/10/02/72/176100272.db2.gz RDMXIODEHXKJEU-UONOGXRCSA-N 1 2 294.395 2.213 10 0 CEAELO Cn1cc[nH+]c1CNc1cc(Cl)ccc1C(N)=S ZINC000071276291 176107352 /nfs/dbraw/zinc/10/73/52/176107352.db2.gz DJQIZZOBDYLDJL-UHFFFAOYSA-N 1 2 280.784 2.320 10 0 CEAELO Cn1cc[nH+]c1CNc1ccc(C(N)=S)c(Cl)c1 ZINC000071276285 176107466 /nfs/dbraw/zinc/10/74/66/176107466.db2.gz VECXTFPXFGCMBN-UHFFFAOYSA-N 1 2 280.784 2.320 10 0 CEAELO Cc1cccnc1CNc1cc[nH+]c(C(N)=S)c1 ZINC000071345226 176131561 /nfs/dbraw/zinc/13/15/61/176131561.db2.gz HRSRKPRWTYPBAO-UHFFFAOYSA-N 1 2 258.350 2.031 10 0 CEAELO C[N@H+](CCNc1cc[nH+]c(C(=O)[O-])c1)C1CCCC1 ZINC000071379473 176143572 /nfs/dbraw/zinc/14/35/72/176143572.db2.gz AENIINCPXISARY-UHFFFAOYSA-N 1 2 263.341 2.066 10 0 CEAELO C[N@@H+](CCNc1cc[nH+]c(C(=O)[O-])c1)C1CCCC1 ZINC000071379473 176143574 /nfs/dbraw/zinc/14/35/74/176143574.db2.gz AENIINCPXISARY-UHFFFAOYSA-N 1 2 263.341 2.066 10 0 CEAELO Cc1cc[nH+]cc1N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000071413705 176158911 /nfs/dbraw/zinc/15/89/11/176158911.db2.gz KFCIDRUMFGIFDU-LLVKDONJSA-N 1 2 291.376 2.211 10 0 CEAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)N(C)CC1CCCCC1 ZINC000077367983 177258519 /nfs/dbraw/zinc/25/85/19/177258519.db2.gz SDISGCZPBTYWGM-KBPBESRZSA-N 1 2 282.428 2.134 10 0 CEAELO C[C@H]1COC[C@H](C)N1Cc1[nH+]ccn1CC(F)(F)F ZINC000077369200 177258820 /nfs/dbraw/zinc/25/88/20/177258820.db2.gz CLRXMNOIEQHFAS-UWVGGRQHSA-N 1 2 277.290 2.055 10 0 CEAELO COC(=O)c1cc(N[C@H](C)CCSC)cc[nH+]1 ZINC000078293385 177331010 /nfs/dbraw/zinc/33/10/10/177331010.db2.gz GJFKSZBQRCCYJE-SECBINFHSA-N 1 2 254.355 2.422 10 0 CEAELO COC(=O)c1cccc(C[NH+]2[C@@H](C)COC[C@@H]2C)c1 ZINC000077371042 277163414 /nfs/dbraw/zinc/16/34/14/277163414.db2.gz KKXMQMYNJVSQBL-RYUDHWBXSA-N 1 2 263.337 2.082 10 0 CEAELO Cc1ccc(C(=O)N2CCc3c([nH+]cn3C)C2)cc1C ZINC000370745706 278788037 /nfs/dbraw/zinc/78/80/37/278788037.db2.gz UBKYIOVLUKZYSE-UHFFFAOYSA-N 1 2 269.348 2.235 10 0 CEAELO Nc1ccc(I)c2cc[nH+]cc12 ZINC000095935721 279698378 /nfs/dbraw/zinc/69/83/78/279698378.db2.gz WRMWOFQMVYKYJT-UHFFFAOYSA-N 1 2 270.073 2.422 10 0 CEAELO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000171702514 280097842 /nfs/dbraw/zinc/09/78/42/280097842.db2.gz QHXFTXWPDHJPNV-NSHDSACASA-N 1 2 292.404 2.265 10 0 CEAELO CC(=O)c1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)cc1 ZINC000171702514 280097843 /nfs/dbraw/zinc/09/78/43/280097843.db2.gz QHXFTXWPDHJPNV-NSHDSACASA-N 1 2 292.404 2.265 10 0 CEAELO O=C(N[C@@H]1CCC12CCCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000335806366 303832830 /nfs/dbraw/zinc/83/28/30/303832830.db2.gz KRTQKEBZXWVRBT-GXTWGEPZSA-N 1 2 273.380 2.285 10 0 CEAELO CCOC(=O)[C@@](C)([NH3+])COc1ccc(C(C)C)cc1 ZINC000045510682 521153626 /nfs/dbraw/zinc/15/36/26/521153626.db2.gz DUKFKUMFJNWKES-HNNXBMFYSA-N 1 2 265.353 2.469 10 0 CEAELO C[NH2+]Cc1noc(COc2ccc(Cl)cc2)n1 ZINC000051848509 522159965 /nfs/dbraw/zinc/15/99/65/522159965.db2.gz CECOHURWVZSOCH-UHFFFAOYSA-N 1 2 253.689 2.021 10 0 CEAELO CC(=O)Nc1cc(NCc2[nH]c[nH+]c2C)ccc1F ZINC000054796601 519706904 /nfs/dbraw/zinc/70/69/04/519706904.db2.gz UKNNHPMQSMIPQG-UHFFFAOYSA-N 1 2 262.288 2.428 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)/C=C/c1ccc[nH]1)C2 ZINC000187907212 519869038 /nfs/dbraw/zinc/86/90/38/519869038.db2.gz RMMMFYMYILEWLA-VOTSOKGWSA-N 1 2 298.390 2.470 10 0 CEAELO CCC[NH2+][C@@H](CCOc1ccc(OC)cc1)C(=O)OCC ZINC000062550570 520003812 /nfs/dbraw/zinc/00/38/12/520003812.db2.gz UFYKYMLMAMSDJR-HNNXBMFYSA-N 1 2 295.379 2.395 10 0 CEAELO CCC[NH2+][C@@H](CCn1c(C)nc2ccccc21)C(=O)OC ZINC000062534686 520006037 /nfs/dbraw/zinc/00/60/37/520006037.db2.gz QJOCRRGAWHDNQT-AWEZNQCLSA-N 1 2 289.379 2.276 10 0 CEAELO CCCN[C@@](C)(C[NH+]1Cc2ccccc2C1)C(=O)OCC ZINC000050912211 520038164 /nfs/dbraw/zinc/03/81/64/520038164.db2.gz MITYXYSJAPXZTK-KRWDZBQOSA-N 1 2 290.407 2.324 10 0 CEAELO CCC[NH2+][C@@](C)(CN1Cc2ccccc2C1)C(=O)OCC ZINC000050912211 520038172 /nfs/dbraw/zinc/03/81/72/520038172.db2.gz MITYXYSJAPXZTK-KRWDZBQOSA-N 1 2 290.407 2.324 10 0 CEAELO CCC[NH2+][C@](C[N@@H+]1CCC[C@@H]1CC)(C(=O)[O-])C1CC1 ZINC000069088289 520122464 /nfs/dbraw/zinc/12/24/64/520122464.db2.gz MOPKGVUFWSBXRM-ZFWWWQNUSA-N 1 2 268.401 2.094 10 0 CEAELO CCC[NH2+][C@](C[N@H+]1CCC[C@@H]1CC)(C(=O)[O-])C1CC1 ZINC000069088289 520122470 /nfs/dbraw/zinc/12/24/70/520122470.db2.gz MOPKGVUFWSBXRM-ZFWWWQNUSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@@](C[NH+]1CCC2(CCCC2)CC1)(C(=O)[O-])C1CC1 ZINC000069232569 520151638 /nfs/dbraw/zinc/15/16/38/520151638.db2.gz MUHZHCZGPOEHII-QGZVFWFLSA-N 1 2 294.439 2.486 10 0 CEAELO CC[NH2+][C@@](COC1CCCCC1)(C(=O)OC)C1CC1 ZINC000069196743 520156748 /nfs/dbraw/zinc/15/67/48/520156748.db2.gz CUXVFAKYAHQKPP-OAHLLOKOSA-N 1 2 269.385 2.267 10 0 CEAELO CCCNc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cn1 ZINC000050649721 520169132 /nfs/dbraw/zinc/16/91/32/520169132.db2.gz YAWRKGWUHIJGHQ-UHFFFAOYSA-N 1 2 292.364 2.099 10 0 CEAELO CC[NH2+][C@H](CCN(C)c1cccc(OC)c1)C(=O)OCC ZINC000062528359 520187436 /nfs/dbraw/zinc/18/74/36/520187436.db2.gz LUGGXXTUIGSONI-OAHLLOKOSA-N 1 2 294.395 2.063 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)n1nc(C)cc1C)C(=O)OCC ZINC000068648871 520237587 /nfs/dbraw/zinc/23/75/87/520237587.db2.gz YHTPHURGCJMHAV-UKRRQHHQSA-N 1 2 281.400 2.382 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)Oc1ccc(OC)cc1)C(=O)OC ZINC000068656820 520240628 /nfs/dbraw/zinc/24/06/28/520240628.db2.gz DZPOVAGBVWVACB-BLLLJJGKSA-N 1 2 295.379 2.394 10 0 CEAELO CCNc1cc(CN2C(=O)COc3ccccc32)cc[nH+]1 ZINC000052732527 520273393 /nfs/dbraw/zinc/27/33/93/520273393.db2.gz BGTYXXHIAHROJV-UHFFFAOYSA-N 1 2 283.331 2.439 10 0 CEAELO CCOC(=O)C1([NH2+]CCOC)CCCCCCC1 ZINC000053257143 520469701 /nfs/dbraw/zinc/46/97/01/520469701.db2.gz IOPNDXHAYNTWJZ-UHFFFAOYSA-N 1 2 257.374 2.269 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccc(OC)cc1)[NH2+]C1CC1 ZINC000062550614 521060301 /nfs/dbraw/zinc/06/03/01/521060301.db2.gz ZEWHKGCHSAVYGW-OAHLLOKOSA-N 1 2 293.363 2.148 10 0 CEAELO CCOC(=O)[C@@H](CSCc1ccccc1C)[NH2+]C ZINC000054964746 521066897 /nfs/dbraw/zinc/06/68/97/521066897.db2.gz OOERHBSCUHMGGR-CYBMUJFWSA-N 1 2 267.394 2.379 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@H](C)n1ccc(C)n1)[NH2+]C1CC1 ZINC000068650546 521152804 /nfs/dbraw/zinc/15/28/04/521152804.db2.gz FXEHQNMQXJIOEZ-SWLSCSKDSA-N 1 2 279.384 2.216 10 0 CEAELO CCOC(=O)[C@@](CSCC(C)C)([NH2+]C)C1CC1 ZINC000069184266 521169788 /nfs/dbraw/zinc/16/97/88/521169788.db2.gz IVBGBLSEDCQDLA-ZDUSSCGKSA-N 1 2 259.415 2.307 10 0 CEAELO CCOC(=O)[C@H](CCOc1cccc(OCC)c1)[NH2+]C ZINC000062595888 521247274 /nfs/dbraw/zinc/24/72/74/521247274.db2.gz FICIOEXAMZIDIR-AWEZNQCLSA-N 1 2 281.352 2.005 10 0 CEAELO CCOC(=O)[C@H](CCSc1nccc(C)n1)[NH2+]C(C)C ZINC000062602911 521250242 /nfs/dbraw/zinc/25/02/42/521250242.db2.gz SMQWAYKJDDAKAW-LBPRGKRZSA-N 1 2 297.424 2.197 10 0 CEAELO CCOC(=O)[C@](C)(C[C@H](C)Oc1ccccc1OC)[NH2+]C ZINC000068656592 521324683 /nfs/dbraw/zinc/32/46/83/521324683.db2.gz VBKOEHQVNVYWLV-LRDDRELGSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@](CO[C@H](C)CC)([NH2+]C1CC1)C1CC1 ZINC000069198238 521343519 /nfs/dbraw/zinc/34/35/19/521343519.db2.gz BPBDFEDLNLMXLE-IAQYHMDHSA-N 1 2 269.385 2.265 10 0 CEAELO CCOC(=O)[C@](Cn1nc(C)c(Cl)c1C)([NH2+]C)C1CC1 ZINC000069193662 521344668 /nfs/dbraw/zinc/34/46/68/521344668.db2.gz PCHSDTKQZUSMDK-CQSZACIVSA-N 1 2 299.802 2.085 10 0 CEAELO CCCc1[nH+]c(-c2ccc(OCC)cc2)c(N)n1N ZINC000052839396 521466543 /nfs/dbraw/zinc/46/65/43/521466543.db2.gz QYXPMXGOJFSSSU-UHFFFAOYSA-N 1 2 260.341 2.197 10 0 CEAELO CCc1[nH+]c(-c2ccc(OC(C)C)cc2)c(N)n1N ZINC000052838911 522147620 /nfs/dbraw/zinc/14/76/20/522147620.db2.gz ICKDHAYWAKMJBE-UHFFFAOYSA-N 1 2 260.341 2.196 10 0 CEAELO C[NH2+][C@@H](CCSc1ccc(F)c(F)c1)C(=O)OC ZINC000062596884 522350653 /nfs/dbraw/zinc/35/06/53/522350653.db2.gz PAINSMBMHJAMGP-NSHDSACASA-N 1 2 275.320 2.208 10 0 CEAELO C[NH2+][C@@](COC1CCC(C)CC1)(C(=O)OC)C1CC1 ZINC000069196298 522427450 /nfs/dbraw/zinc/42/74/50/522427450.db2.gz DLCAOKIYKCLODN-ABIUDSBCSA-N 1 2 269.385 2.123 10 0 CEAELO CNc1[nH+]cccc1CSc1nnc2ccccn21 ZINC000061408600 522711995 /nfs/dbraw/zinc/71/19/95/522711995.db2.gz SAQDAAIGQZUCBH-UHFFFAOYSA-N 1 2 271.349 2.458 10 0 CEAELO CNc1[nH+]cccc1CSc1nc(C)cc(=O)[nH]1 ZINC000052756134 522712391 /nfs/dbraw/zinc/71/23/91/522712391.db2.gz MYTBEXMGXVKHNS-UHFFFAOYSA-N 1 2 262.338 2.220 10 0 CEAELO CC[C@H]([NH2+]c1cc2c(cc1N)OCC(=O)N2)C(C)C ZINC000049128223 522765613 /nfs/dbraw/zinc/76/56/13/522765613.db2.gz CEKFFVWUKBXLBL-JTQLQIEISA-N 1 2 263.341 2.446 10 0 CEAELO CCc1noc([C@@H](C)[N@@H+]2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152466413 522908137 /nfs/dbraw/zinc/90/81/37/522908137.db2.gz XLNXTBOCJIRIRB-YPMHNXCESA-N 1 2 288.351 2.241 10 0 CEAELO CCc1noc([C@@H](C)[N@H+]2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152466413 522908154 /nfs/dbraw/zinc/90/81/54/522908154.db2.gz XLNXTBOCJIRIRB-YPMHNXCESA-N 1 2 288.351 2.241 10 0 CEAELO COc1ccc(-c2nc(N)c3c([nH+]2)CCCC3)cc1O ZINC000050867111 523219377 /nfs/dbraw/zinc/21/93/77/523219377.db2.gz RUCFHQHFWOTVEF-UHFFFAOYSA-N 1 2 271.320 2.319 10 0 CEAELO COC(=O)[C@@H]([NH3+])COc1ccc(Oc2ccccc2)cc1 ZINC000045519372 523598986 /nfs/dbraw/zinc/59/89/86/523598986.db2.gz XHXUMOMANADMDF-HNNXBMFYSA-N 1 2 287.315 2.358 10 0 CEAELO CCc1cc(N)nc(Cc2ccc(OC)c(OC)c2)[nH+]1 ZINC000050846306 523790455 /nfs/dbraw/zinc/79/04/55/523790455.db2.gz OZIWNRNZYYENGI-UHFFFAOYSA-N 1 2 273.336 2.229 10 0 CEAELO COC(=O)[C@H](CCn1c(C)nc2ccccc21)[NH2+]C(C)C ZINC000062534787 523900625 /nfs/dbraw/zinc/90/06/25/523900625.db2.gz UNDJRGBQXNMOMP-AWEZNQCLSA-N 1 2 289.379 2.274 10 0 CEAELO C[C@H](CNCc1ccc(O)c(Br)c1)[NH+](C)C ZINC000062702744 524486431 /nfs/dbraw/zinc/48/64/31/524486431.db2.gz MSKFMYMNRKBDQV-SECBINFHSA-N 1 2 287.201 2.194 10 0 CEAELO COc1ccc(NC(=O)Nc2ccc(N)[nH+]c2)cc1 ZINC000061680631 524579793 /nfs/dbraw/zinc/57/97/93/524579793.db2.gz CHWPHJUSBQIFPE-UHFFFAOYSA-N 1 2 258.281 2.316 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1NCc1cncs1 ZINC000054770625 525029979 /nfs/dbraw/zinc/02/99/79/525029979.db2.gz VNBXPFGWDSTXHM-UHFFFAOYSA-N 1 2 264.354 2.225 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1NC[C@H]1CCC=CO1 ZINC000050268107 525030411 /nfs/dbraw/zinc/03/04/11/525030411.db2.gz ICKNFNCTQHIPBR-LLVKDONJSA-N 1 2 263.341 2.261 10 0 CEAELO C[C@H]([NH2+]Cc1cnccn1)c1nc2ccccc2[nH]1 ZINC000054766810 525478056 /nfs/dbraw/zinc/47/80/56/525478056.db2.gz VQKXGLPZHASRAR-JTQLQIEISA-N 1 2 253.309 2.204 10 0 CEAELO CSCCCn1c2ccc(N)cc2[nH+]c1[C@H](C)O ZINC000069444366 525486097 /nfs/dbraw/zinc/48/60/97/525486097.db2.gz CQGXXTFDTASEHR-VIFPVBQESA-N 1 2 265.382 2.425 10 0 CEAELO C[C@@H]([NH2+]Cc1ccncn1)c1nc2ccccc2[nH]1 ZINC000054789956 525546499 /nfs/dbraw/zinc/54/64/99/525546499.db2.gz VTOJXOOXPBZQMT-SNVBAGLBSA-N 1 2 253.309 2.204 10 0 CEAELO C[C@@H](Nc1nc(Cl)nc(-n2cc[nH+]c2)n1)c1ccco1 ZINC000061537650 525726087 /nfs/dbraw/zinc/72/60/87/525726087.db2.gz RKJYZYPNZBYDSB-MRVPVSSYSA-N 1 2 290.714 2.477 10 0 CEAELO C[C@@]([NH3+])(c1nc(-c2ccccn2)no1)c1ccccc1 ZINC000052879340 525751746 /nfs/dbraw/zinc/75/17/46/525751746.db2.gz KIPKGKKNAJVBIJ-HNNXBMFYSA-N 1 2 266.304 2.354 10 0 CEAELO CSCc1noc([C@H]2[NH2+]CCc3sccc32)n1 ZINC000054494166 525770607 /nfs/dbraw/zinc/77/06/07/525770607.db2.gz UXWGYVRESLGTTF-JTQLQIEISA-N 1 2 267.379 2.229 10 0 CEAELO CSc1ccc(NC(=O)c2cccc(NN)[nH+]2)cc1 ZINC000051089905 526039902 /nfs/dbraw/zinc/03/99/02/526039902.db2.gz NNWRRIKUNOTPLQ-UHFFFAOYSA-N 1 2 274.349 2.341 10 0 CEAELO Cc1ccc(C(=O)[O-])c(N(CC[NH+](C)C)CC(C)C)[nH+]1 ZINC000054534678 526231435 /nfs/dbraw/zinc/23/14/35/526231435.db2.gz KUGJMPPFUNKOJF-UHFFFAOYSA-N 1 2 279.384 2.112 10 0 CEAELO Cc1ccc2[nH]c(Sc3nccnc3C(N)=[NH2+])nc2c1 ZINC000061440332 526255686 /nfs/dbraw/zinc/25/56/86/526255686.db2.gz SHQDRYGBLDMBHP-UHFFFAOYSA-N 1 2 284.348 2.097 10 0 CEAELO Cc1ccc2nc(Sc3nccnc3C(N)=[NH2+])[nH]c2c1 ZINC000061440332 526255690 /nfs/dbraw/zinc/25/56/90/526255690.db2.gz SHQDRYGBLDMBHP-UHFFFAOYSA-N 1 2 284.348 2.097 10 0 CEAELO O=C(CC[N@H+]1CC[C@H](O)C1)c1ccccc1Br ZINC000061711729 526493641 /nfs/dbraw/zinc/49/36/41/526493641.db2.gz SYULJLYWLXFSHN-JTQLQIEISA-N 1 2 298.180 2.089 10 0 CEAELO O=C(CC[N@@H+]1CC[C@H](O)C1)c1ccccc1Br ZINC000061711729 526493649 /nfs/dbraw/zinc/49/36/49/526493649.db2.gz SYULJLYWLXFSHN-JTQLQIEISA-N 1 2 298.180 2.089 10 0 CEAELO Cc1[nH+]c(-c2ccc(Cl)c(Cl)c2)c(N)n1N ZINC000052838455 526571194 /nfs/dbraw/zinc/57/11/94/526571194.db2.gz IYAYOZYAXAGPCE-UHFFFAOYSA-N 1 2 257.124 2.461 10 0 CEAELO NC(=O)[C@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000061630297 527003018 /nfs/dbraw/zinc/00/30/18/527003018.db2.gz ODFJBBQOPPWJHI-QMMMGPOBSA-N 1 2 288.178 2.086 10 0 CEAELO NC(=O)[C@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000061630297 527003022 /nfs/dbraw/zinc/00/30/22/527003022.db2.gz ODFJBBQOPPWJHI-QMMMGPOBSA-N 1 2 288.178 2.086 10 0 CEAELO NC(=S)c1cc(-n2cc[nH+]c2)nc2ccccc21 ZINC000068799600 527114522 /nfs/dbraw/zinc/11/45/22/527114522.db2.gz PBALUABIWDASFB-UHFFFAOYSA-N 1 2 254.318 2.055 10 0 CEAELO NC(=S)c1cc(NCCc2cccs2)cc[nH+]1 ZINC000061812168 527117128 /nfs/dbraw/zinc/11/71/28/527117128.db2.gz MAISOJYUOPWNDR-UHFFFAOYSA-N 1 2 263.391 2.432 10 0 CEAELO Cc1nccc(CNc2ccc[nH+]c2N2CCCC2)n1 ZINC000054790263 527342360 /nfs/dbraw/zinc/34/23/60/527342360.db2.gz OHZYBECPCZYLSF-UHFFFAOYSA-N 1 2 269.352 2.392 10 0 CEAELO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000171703152 527362057 /nfs/dbraw/zinc/36/20/57/527362057.db2.gz SPOPIRPIVKRKBN-NSHDSACASA-N 1 2 292.404 2.265 10 0 CEAELO CC(=O)c1cccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)c1 ZINC000171703152 527362071 /nfs/dbraw/zinc/36/20/71/527362071.db2.gz SPOPIRPIVKRKBN-NSHDSACASA-N 1 2 292.404 2.265 10 0 CEAELO Nc1ccc2[nH]c(CSc3nnc4ccccn43)[nH+]c2c1 ZINC000061405659 527509390 /nfs/dbraw/zinc/50/93/90/527509390.db2.gz CSBJRISXWLSUMD-UHFFFAOYSA-N 1 2 296.359 2.480 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)c1ccc(Br)cn1 ZINC000062725839 527536456 /nfs/dbraw/zinc/53/64/56/527536456.db2.gz MZXWVLYCFYIDMP-UHFFFAOYSA-N 1 2 293.124 2.074 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000062725870 527537260 /nfs/dbraw/zinc/53/72/60/527537260.db2.gz VNGNOTGYFSKFOM-UHFFFAOYSA-N 1 2 261.712 2.498 10 0 CEAELO CCS[C@H](C)c1noc(C[N@H+](C)C[C@@](C)(O)CC)n1 ZINC000161631501 529223220 /nfs/dbraw/zinc/22/32/20/529223220.db2.gz YPGFCHUXUYXNDT-MFKMUULPSA-N 1 2 287.429 2.477 10 0 CEAELO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@@](C)(O)CC)n1 ZINC000161631501 529223223 /nfs/dbraw/zinc/22/32/23/529223223.db2.gz YPGFCHUXUYXNDT-MFKMUULPSA-N 1 2 287.429 2.477 10 0 CEAELO CCc1cc(N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)nc(C)[nH+]1 ZINC000302108529 536147309 /nfs/dbraw/zinc/14/73/09/536147309.db2.gz SSUXFLLDGCLOBA-RRFJBIMHSA-N 1 2 291.395 2.120 10 0 CEAELO Cc1nc2c(ncnc2NCC2(Cn3cc[nH+]c3)CC2)o1 ZINC000063848600 639904636 /nfs/dbraw/zinc/90/46/36/639904636.db2.gz HHMNOYFUWKFBHA-UHFFFAOYSA-N 1 2 284.323 2.015 10 0 CEAELO [NH3+][C@@H](c1noc(C(F)F)n1)c1cc(F)ccc1F ZINC000095532991 185007069 /nfs/dbraw/zinc/00/70/69/185007069.db2.gz LUOLGEWLMFUGLP-SSDOTTSWSA-N 1 2 261.178 2.334 10 0 CEAELO COC(=O)[C@H]([NH2+]CC(C)C)c1cccc(OC)c1 ZINC000037965947 361968158 /nfs/dbraw/zinc/96/81/58/361968158.db2.gz PDSAGJATBBWSDO-CYBMUJFWSA-N 1 2 251.326 2.155 10 0 CEAELO CCOC(=O)c1cc(NCc2nc(C)cs2)cc[nH+]1 ZINC000725264541 539212762 /nfs/dbraw/zinc/21/27/62/539212762.db2.gz URPSHGYYLWOEIX-UHFFFAOYSA-N 1 2 277.349 2.057 10 0 CEAELO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ncnn1C ZINC000091349795 539227011 /nfs/dbraw/zinc/22/70/11/539227011.db2.gz RIEMAYOLJSLTJQ-NSHDSACASA-N 1 2 284.367 2.036 10 0 CEAELO CCn1cc[nH+]c1C[S@](=O)c1ccc(Cl)cn1 ZINC000177294181 529582268 /nfs/dbraw/zinc/58/22/68/529582268.db2.gz ZBNGFVSJKAMZSJ-KRWDZBQOSA-N 1 2 269.757 2.259 10 0 CEAELO CC(=O)Nc1ccc2ccn(Cc3c[nH]c[nH+]3)c2c1 ZINC000034894403 343420652 /nfs/dbraw/zinc/42/06/52/343420652.db2.gz MULRBIJTPPVPHS-UHFFFAOYSA-N 1 2 254.293 2.371 10 0 CEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000139563631 344394713 /nfs/dbraw/zinc/39/47/13/344394713.db2.gz ZKHLQJCDQUIWTL-CQSZACIVSA-N 1 2 299.374 2.394 10 0 CEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000139563631 344394714 /nfs/dbraw/zinc/39/47/14/344394714.db2.gz ZKHLQJCDQUIWTL-CQSZACIVSA-N 1 2 299.374 2.394 10 0 CEAELO CC1=[N+](O)C(C)(C)[N+]([O-])=C1c1ccc(Cl)cc1 ZINC000225400396 344545493 /nfs/dbraw/zinc/54/54/93/344545493.db2.gz OZXYERWOWNTHAP-UHFFFAOYSA-N 1 2 254.717 2.143 10 0 CEAELO CC(C)(C)Sc1nc[nH+]c(NN)c1Br ZINC000232500743 344578064 /nfs/dbraw/zinc/57/80/64/344578064.db2.gz DIYLBEHKTNQQDJ-UHFFFAOYSA-N 1 2 277.191 2.415 10 0 CEAELO CCOC(=O)[C@]1([NH3+])CCc2cc(Br)ccc21 ZINC000260420776 344652953 /nfs/dbraw/zinc/65/29/53/344652953.db2.gz LJDJNORMEXPYOW-LBPRGKRZSA-N 1 2 284.153 2.112 10 0 CEAELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1cccn1C1CC1 ZINC000328640155 344757312 /nfs/dbraw/zinc/75/73/12/344757312.db2.gz XFNPGJXGZMZUQN-ZDUSSCGKSA-N 1 2 298.390 2.354 10 0 CEAELO CN(Cc1ccncc1)c1cc(N[C@@H]2CCCOC2)[nH+]cn1 ZINC000328655613 344757978 /nfs/dbraw/zinc/75/79/78/344757978.db2.gz YNZSOTMAHRAQCR-CQSZACIVSA-N 1 2 299.378 2.099 10 0 CEAELO CN(Cc1ccncc1)c1cc(N[C@@H]2CCCOC2)nc[nH+]1 ZINC000328655613 344757981 /nfs/dbraw/zinc/75/79/81/344757981.db2.gz YNZSOTMAHRAQCR-CQSZACIVSA-N 1 2 299.378 2.099 10 0 CEAELO C[NH+](C)CCCNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000180302378 232396285 /nfs/dbraw/zinc/39/62/85/232396285.db2.gz SCBZFZVPFXMFFF-UHFFFAOYSA-N 1 2 291.178 2.381 10 0 CEAELO CNc1nc(N(C)C)[nH+]c(C(C)C)c1Br ZINC000085460958 179068760 /nfs/dbraw/zinc/06/87/60/179068760.db2.gz CQTRJFYCCMBQAN-UHFFFAOYSA-N 1 2 273.178 2.470 10 0 CEAELO Cc1[nH+]c(C2CCC2)nc(N)c1I ZINC000085459556 179069006 /nfs/dbraw/zinc/06/90/06/179069006.db2.gz YYRMTIGSAOWEJB-UHFFFAOYSA-N 1 2 289.120 2.239 10 0 CEAELO Cc1cc2[nH]c([C@H]3CCS(=O)(=O)C3)[nH+]c2cc1C ZINC000086027444 179220013 /nfs/dbraw/zinc/22/00/13/179220013.db2.gz IGAJIRFPPVZSBA-JTQLQIEISA-N 1 2 264.350 2.082 10 0 CEAELO CC1(C)C(c2ccccc2)=[N+](O)[C@H](c2cccnc2)N1O ZINC000606446674 347474734 /nfs/dbraw/zinc/47/47/34/347474734.db2.gz IAZFXUFDDCCATM-HNNXBMFYSA-N 1 2 284.339 2.455 10 0 CEAELO COC[C@H]([NH2+][C@H](c1ccco1)c1nccn1C)C(C)C ZINC000086695038 179320679 /nfs/dbraw/zinc/32/06/79/179320679.db2.gz WCBQRYTZUJPJLH-GXTWGEPZSA-N 1 2 277.368 2.363 10 0 CEAELO CCOC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000616632952 348541414 /nfs/dbraw/zinc/54/14/14/348541414.db2.gz SVGOBGNMEWTNSD-LBPRGKRZSA-N 1 2 268.744 2.443 10 0 CEAELO COCc1ccccc1[C@@H]([NH3+])c1noc(C(C)C)n1 ZINC000088566216 179625801 /nfs/dbraw/zinc/62/58/01/179625801.db2.gz YRLLEDNGQQGINN-GFCCVEGCSA-N 1 2 261.325 2.388 10 0 CEAELO CC(C)n1ncnc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000088591462 539678428 /nfs/dbraw/zinc/67/84/28/539678428.db2.gz RNVXHFWXNWZXRU-CYBMUJFWSA-N 1 2 272.352 2.472 10 0 CEAELO COC(=O)c1cc(NC[C@]2(O)CCC[C@@H](C)C2)cc[nH+]1 ZINC000090738538 180034763 /nfs/dbraw/zinc/03/47/63/180034763.db2.gz GQZHKKWJTFTGQM-ABAIWWIYSA-N 1 2 278.352 2.221 10 0 CEAELO O=C(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907420 180061419 /nfs/dbraw/zinc/06/14/19/180061419.db2.gz WPEVOTPKIMRRCV-OKILXGFUSA-N 1 2 263.312 2.262 10 0 CEAELO O=C(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907420 180061420 /nfs/dbraw/zinc/06/14/20/180061420.db2.gz WPEVOTPKIMRRCV-OKILXGFUSA-N 1 2 263.312 2.262 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]Cc1sccc1N ZINC000090959589 180075454 /nfs/dbraw/zinc/07/54/54/180075454.db2.gz QECOWMBTSINBOJ-JTQLQIEISA-N 1 2 256.371 2.008 10 0 CEAELO NC(=O)c1cc([NH2+]C[C@H]2Cc3ccccc32)ccc1N ZINC000090994007 180082456 /nfs/dbraw/zinc/08/24/56/180082456.db2.gz XDARCSSUNJWETP-LLVKDONJSA-N 1 2 267.332 2.120 10 0 CEAELO O=C([O-])[C@H]([NH2+]C1CCCCC1)c1c[nH+]cn1C1CC1 ZINC000091276945 180119775 /nfs/dbraw/zinc/11/97/75/180119775.db2.gz XMBDRYOATWFQRB-CYBMUJFWSA-N 1 2 263.341 2.266 10 0 CEAELO CC[NH2+][C@@H](c1nccn1C)c1ccncc1Cl ZINC000091464130 180163119 /nfs/dbraw/zinc/16/31/19/180163119.db2.gz KAFYTDXJFOFRMR-LLVKDONJSA-N 1 2 250.733 2.167 10 0 CEAELO Cc1nc(-c2cccc3cccnc32)[nH+]c(NN)c1F ZINC000091499987 180174709 /nfs/dbraw/zinc/17/47/09/180174709.db2.gz BCFWBORTSQPVGN-UHFFFAOYSA-N 1 2 269.283 2.425 10 0 CEAELO C[C@@H]1CCC[C@H](C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000091565484 180193342 /nfs/dbraw/zinc/19/33/42/180193342.db2.gz RTDPTXJDTUIFED-OLZOCXBDSA-N 1 2 253.386 2.493 10 0 CEAELO Cc1ccc(F)c([C@H](O)C(C)(C)[NH+]2CCOCC2)c1 ZINC000091565888 180194048 /nfs/dbraw/zinc/19/40/48/180194048.db2.gz UVCOMNRHCYWERS-AWEZNQCLSA-N 1 2 267.344 2.278 10 0 CEAELO CC[C@@](C)([C@H](O)c1c(F)cccc1F)[NH+]1CCOCC1 ZINC000091611221 180206302 /nfs/dbraw/zinc/20/63/02/180206302.db2.gz DGXVMOZVTQEDJS-CABCVRRESA-N 1 2 285.334 2.499 10 0 CEAELO Cc1cc(Cl)ccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105280949 186049701 /nfs/dbraw/zinc/04/97/01/186049701.db2.gz ISIHELDHYLNBIH-LBPRGKRZSA-N 1 2 297.786 2.101 10 0 CEAELO Cc1cc(Cl)ccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105280949 186049703 /nfs/dbraw/zinc/04/97/03/186049703.db2.gz ISIHELDHYLNBIH-LBPRGKRZSA-N 1 2 297.786 2.101 10 0 CEAELO Cc1ccc(Cl)cc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105280351 186050190 /nfs/dbraw/zinc/05/01/90/186050190.db2.gz KWFSHILFZAAKLE-LBPRGKRZSA-N 1 2 297.786 2.101 10 0 CEAELO Cc1ccc(Cl)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105280351 186050192 /nfs/dbraw/zinc/05/01/92/186050192.db2.gz KWFSHILFZAAKLE-LBPRGKRZSA-N 1 2 297.786 2.101 10 0 CEAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc3ccccc3c2)C1 ZINC000105280885 186050313 /nfs/dbraw/zinc/05/03/13/186050313.db2.gz CLBITIWGQZXKPS-INIZCTEOSA-N 1 2 299.374 2.292 10 0 CEAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc3ccccc3c2)C1 ZINC000105280885 186050315 /nfs/dbraw/zinc/05/03/15/186050315.db2.gz CLBITIWGQZXKPS-INIZCTEOSA-N 1 2 299.374 2.292 10 0 CEAELO C[N@@H+]1CCO[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000091688323 180226295 /nfs/dbraw/zinc/22/62/95/180226295.db2.gz HSICACMOHANTFK-LLVKDONJSA-N 1 2 273.254 2.219 10 0 CEAELO C[N@H+]1CCO[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000091688323 180226297 /nfs/dbraw/zinc/22/62/97/180226297.db2.gz HSICACMOHANTFK-LLVKDONJSA-N 1 2 273.254 2.219 10 0 CEAELO C[N@@H+]1CCO[C@@H](C(=O)Cc2cccc3ccccc32)C1 ZINC000091688721 180226985 /nfs/dbraw/zinc/22/69/85/180226985.db2.gz ZLLGPEYJPBXZSM-QGZVFWFLSA-N 1 2 269.344 2.282 10 0 CEAELO C[N@H+]1CCO[C@@H](C(=O)Cc2cccc3ccccc32)C1 ZINC000091688721 180226986 /nfs/dbraw/zinc/22/69/86/180226986.db2.gz ZLLGPEYJPBXZSM-QGZVFWFLSA-N 1 2 269.344 2.282 10 0 CEAELO C[N@@H+]1CCO[C@@H](c2noc(-c3ccc(O)c(Cl)c3)n2)C1 ZINC000091747837 180245552 /nfs/dbraw/zinc/24/55/52/180245552.db2.gz ZFNJDABZYSUWFJ-LLVKDONJSA-N 1 2 295.726 2.099 10 0 CEAELO C[N@H+]1CCO[C@@H](c2noc(-c3ccc(O)c(Cl)c3)n2)C1 ZINC000091747837 180245554 /nfs/dbraw/zinc/24/55/54/180245554.db2.gz ZFNJDABZYSUWFJ-LLVKDONJSA-N 1 2 295.726 2.099 10 0 CEAELO CC[N@@H+]1CCO[C@H](CSc2cccc(C=O)c2)C1 ZINC000092080057 180318801 /nfs/dbraw/zinc/31/88/01/180318801.db2.gz HYAGBBDQSMWUAT-ZDUSSCGKSA-N 1 2 265.378 2.312 10 0 CEAELO CC[N@H+]1CCO[C@H](CSc2cccc(C=O)c2)C1 ZINC000092080057 180318804 /nfs/dbraw/zinc/31/88/04/180318804.db2.gz HYAGBBDQSMWUAT-ZDUSSCGKSA-N 1 2 265.378 2.312 10 0 CEAELO CCOC(=O)C[N@H+](C)C[C@@H]1CSc2ccccc21 ZINC000092292599 180357599 /nfs/dbraw/zinc/35/75/99/180357599.db2.gz JMHUWXHVVWVIAK-LLVKDONJSA-N 1 2 265.378 2.371 10 0 CEAELO CCOC(=O)C[N@@H+](C)C[C@@H]1CSc2ccccc21 ZINC000092292599 180357601 /nfs/dbraw/zinc/35/76/01/180357601.db2.gz JMHUWXHVVWVIAK-LLVKDONJSA-N 1 2 265.378 2.371 10 0 CEAELO CC1=NN(c2cccc(Br)c2)C(=O)[C@@H]1CC[NH3+] ZINC000092319868 180361728 /nfs/dbraw/zinc/36/17/28/180361728.db2.gz FQTHMYRLCHEMQJ-LLVKDONJSA-N 1 2 296.168 2.137 10 0 CEAELO Cc1noc(C)c1Cn1c(N)[nH+]c2c1cccc2F ZINC000092341089 180366119 /nfs/dbraw/zinc/36/61/19/180366119.db2.gz IMBKYKDVCISELE-UHFFFAOYSA-N 1 2 260.272 2.411 10 0 CEAELO CC(C)OCCN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106373753 186111815 /nfs/dbraw/zinc/11/18/15/186111815.db2.gz LHNGHUCUDIOSNU-UHFFFAOYSA-N 1 2 265.401 2.327 10 0 CEAELO CC(C)OCC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106373753 186111816 /nfs/dbraw/zinc/11/18/16/186111816.db2.gz LHNGHUCUDIOSNU-UHFFFAOYSA-N 1 2 265.401 2.327 10 0 CEAELO CC(C)OCC[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106373753 186111818 /nfs/dbraw/zinc/11/18/18/186111818.db2.gz LHNGHUCUDIOSNU-UHFFFAOYSA-N 1 2 265.401 2.327 10 0 CEAELO CCN(CC)C(=O)C[N@H+](C)Cc1cc(Cl)ccn1 ZINC000092416355 180380260 /nfs/dbraw/zinc/38/02/60/180380260.db2.gz TWGYLVBJCMIEAH-UHFFFAOYSA-N 1 2 269.776 2.035 10 0 CEAELO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(Cl)ccn1 ZINC000092416355 180380262 /nfs/dbraw/zinc/38/02/62/180380262.db2.gz TWGYLVBJCMIEAH-UHFFFAOYSA-N 1 2 269.776 2.035 10 0 CEAELO Cc1cc2ncn(Cc3cc(NN)cc[nH+]3)c2cc1C ZINC000092425415 180383472 /nfs/dbraw/zinc/38/34/72/180383472.db2.gz BQHZTDSIZORRJR-UHFFFAOYSA-N 1 2 267.336 2.382 10 0 CEAELO CC(C)CC[N@@H+](c1ccc(N)cc1C(N)=O)C1CC1 ZINC000109281177 186246722 /nfs/dbraw/zinc/24/67/22/186246722.db2.gz YDXPMPLZMRDAOD-UHFFFAOYSA-N 1 2 261.369 2.383 10 0 CEAELO CC(C)CC[N@H+](c1ccc(N)cc1C(N)=O)C1CC1 ZINC000109281177 186246723 /nfs/dbraw/zinc/24/67/23/186246723.db2.gz YDXPMPLZMRDAOD-UHFFFAOYSA-N 1 2 261.369 2.383 10 0 CEAELO CCC[C@H](CC)Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000110334162 186292517 /nfs/dbraw/zinc/29/25/17/186292517.db2.gz NANURKGPESQYFZ-QWHCGFSZSA-N 1 2 278.400 2.428 10 0 CEAELO 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CEAELO Cn1cc[nH+]c1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246618055 131096186 /nfs/dbraw/zinc/09/61/86/131096186.db2.gz IESHSQUBIYWDNJ-RISCZKNCSA-N 1 2 293.317 2.006 10 0 CEAELO Cc1cc2ccccc2[nH+]c1N1CCO[C@@H](C(N)=S)C1 ZINC000093935074 135082856 /nfs/dbraw/zinc/08/28/56/135082856.db2.gz WTCXCQFYQHNBSC-CYBMUJFWSA-N 1 2 287.388 2.035 10 0 CEAELO Cc1cc(C)c(C(=O)[O-])c(N2CC[N@@H+]3CCCC[C@@H]3C2)[nH+]1 ZINC000094440309 135088851 /nfs/dbraw/zinc/08/88/51/135088851.db2.gz PFDYCDVCWONCAS-CYBMUJFWSA-N 1 2 289.379 2.071 10 0 CEAELO Cc1cc(C)c(C(=O)[O-])c(N2CC[N@H+]3CCCC[C@@H]3C2)[nH+]1 ZINC000094440309 135088853 /nfs/dbraw/zinc/08/88/53/135088853.db2.gz PFDYCDVCWONCAS-CYBMUJFWSA-N 1 2 289.379 2.071 10 0 CEAELO Cc1c(N)c[nH+]c(N2CC=CC2)c1Br ZINC000306524615 394516396 /nfs/dbraw/zinc/51/63/96/394516396.db2.gz ZEZOQHJTNRSGKK-UHFFFAOYSA-N 1 2 254.131 2.111 10 0 CEAELO CCn1cc[nH+]c1CSCc1nsc(N(C)C)n1 ZINC000131287987 394906580 /nfs/dbraw/zinc/90/65/80/394906580.db2.gz ZBVHXPAWGPIWHA-UHFFFAOYSA-N 1 2 283.426 2.254 10 0 CEAELO COC[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000158746126 395052783 /nfs/dbraw/zinc/05/27/83/395052783.db2.gz VYQJLSMZVTYOML-SECBINFHSA-N 1 2 287.241 2.402 10 0 CEAELO CCCn1c(C)nnc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000163155251 395081210 /nfs/dbraw/zinc/08/12/10/395081210.db2.gz HKTJHTAVOLEEMP-AWEZNQCLSA-N 1 2 288.399 2.447 10 0 CEAELO CCCn1c(C)nnc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000163155251 395081215 /nfs/dbraw/zinc/08/12/15/395081215.db2.gz HKTJHTAVOLEEMP-AWEZNQCLSA-N 1 2 288.399 2.447 10 0 CEAELO CC(C)N(C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1)C(C)C ZINC000195506649 395467163 /nfs/dbraw/zinc/46/71/63/395467163.db2.gz UWVRMEVUTVJBKO-UHFFFAOYSA-N 1 2 292.427 2.235 10 0 CEAELO CCCCCCNC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505903 153290926 /nfs/dbraw/zinc/29/09/26/153290926.db2.gz IXDWUHGATPSNIX-UHFFFAOYSA-N 1 2 292.427 2.286 10 0 CEAELO CC(C)(C)OCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000195521901 153293011 /nfs/dbraw/zinc/29/30/11/153293011.db2.gz GNUQJGLDVOSTEY-LLVKDONJSA-N 1 2 270.398 2.332 10 0 CEAELO CC(C)(C)OCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000195521901 153293013 /nfs/dbraw/zinc/29/30/13/153293013.db2.gz GNUQJGLDVOSTEY-LLVKDONJSA-N 1 2 270.398 2.332 10 0 CEAELO Cc1nc2ccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)cc2o1 ZINC000263079763 154016437 /nfs/dbraw/zinc/01/64/37/154016437.db2.gz XLTQSCODIPAEGH-JTQLQIEISA-N 1 2 281.262 2.072 10 0 CEAELO CO[C@@H](C)c1cccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263197099 154031435 /nfs/dbraw/zinc/03/14/35/154031435.db2.gz IOEJUHMJOLGHER-CABZTGNLSA-N 1 2 284.306 2.330 10 0 CEAELO CCS[C@H]1CCCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263211747 154035642 /nfs/dbraw/zinc/03/56/42/154035642.db2.gz KIKBRMGCESJMKZ-WDEREUQCSA-N 1 2 292.395 2.118 10 0 CEAELO C[C@H]1C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)CCS1 ZINC000171695465 162385975 /nfs/dbraw/zinc/38/59/75/162385975.db2.gz OUXVVLFYYXPUOA-VIFPVBQESA-N 1 2 286.347 2.341 10 0 CEAELO C[C@H]1C[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)CCS1 ZINC000171695465 162385978 /nfs/dbraw/zinc/38/59/78/162385978.db2.gz OUXVVLFYYXPUOA-VIFPVBQESA-N 1 2 286.347 2.341 10 0 CEAELO C[C@H](NC(=O)c1ccon1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173913352 165087122 /nfs/dbraw/zinc/08/71/22/165087122.db2.gz XCZZRQGZRXHJLR-NSHDSACASA-N 1 2 282.303 2.351 10 0 CEAELO CC(C)c1nc(N[C@@H]2CCCn3ncnc32)cc[nH+]1 ZINC000176854740 165175720 /nfs/dbraw/zinc/17/57/20/165175720.db2.gz XXFOANOFPZUCBD-SNVBAGLBSA-N 1 2 258.329 2.139 10 0 CEAELO CCC(CC)N(CC(C)C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000178662059 165252654 /nfs/dbraw/zinc/25/26/54/165252654.db2.gz NAHQTUSBSLBHST-OAHLLOKOSA-N 1 2 299.459 2.173 10 0 CEAELO CCC(CC)N(CC(C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000178662059 165252659 /nfs/dbraw/zinc/25/26/59/165252659.db2.gz NAHQTUSBSLBHST-OAHLLOKOSA-N 1 2 299.459 2.173 10 0 CEAELO Cc1cnc(NS(=O)(=O)c2cccc([C@H](C)[NH3+])c2)s1 ZINC000021024354 171290984 /nfs/dbraw/zinc/29/09/84/171290984.db2.gz OGJQEGLPDKEZEA-VIFPVBQESA-N 1 2 297.405 2.272 10 0 CEAELO O=c1nc(C[NH2+]CC2CCCC2)[nH]c2ccsc21 ZINC000037258427 173069516 /nfs/dbraw/zinc/06/95/16/173069516.db2.gz XJMMOPFZRWVNGL-UHFFFAOYSA-N 1 2 263.366 2.264 10 0 CEAELO Cn1cc[nH+]c1[C@H](Nc1cn[nH]c1)c1cccs1 ZINC000037260696 173070613 /nfs/dbraw/zinc/07/06/13/173070613.db2.gz WZSKNHOFVYWDEY-LLVKDONJSA-N 1 2 259.338 2.406 10 0 CEAELO CC[NH2+][C@](C)(CCc1ccc(O)cc1)C(=O)OCC ZINC000037447202 173214878 /nfs/dbraw/zinc/21/48/78/173214878.db2.gz SMLWAQOUEFHMIS-OAHLLOKOSA-N 1 2 265.353 2.256 10 0 CEAELO Cc1noc(C[NH2+]C[C@H](O)c2ccc3ccccc3c2)n1 ZINC000038034956 174033145 /nfs/dbraw/zinc/03/31/45/174033145.db2.gz DQVBQUXFNLQXEP-HNNXBMFYSA-N 1 2 283.331 2.354 10 0 CEAELO Cc1cc(Nc2nc[nH+]c(NC(C)(C)C)c2N)no1 ZINC000040680341 174374945 /nfs/dbraw/zinc/37/49/45/174374945.db2.gz UFERWCWGVAQYAF-UHFFFAOYSA-N 1 2 262.317 2.309 10 0 CEAELO CCNc1[nH+]cnc(Nc2ccc(Cl)cn2)c1N ZINC000040707351 174379641 /nfs/dbraw/zinc/37/96/41/174379641.db2.gz CWXQRJAXLXXNAL-UHFFFAOYSA-N 1 2 264.720 2.283 10 0 CEAELO CCOc1ccccc1Nc1nc[nH+]c(N(C)C)c1N ZINC000040723655 174386163 /nfs/dbraw/zinc/38/61/63/174386163.db2.gz KRGXYRMDSUETGF-UHFFFAOYSA-N 1 2 273.340 2.267 10 0 CEAELO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747547 175243168 /nfs/dbraw/zinc/24/31/68/175243168.db2.gz DETAHFHZGUOAOG-IINYFYTJSA-N 1 2 263.337 2.311 10 0 CEAELO CCOC(=O)[C@](C)(CCN1c2ccccc2C[C@@H]1C)[NH2+]C ZINC000045222697 175330763 /nfs/dbraw/zinc/33/07/63/175330763.db2.gz WKGJUZPZVYMWRB-GUYCJALGSA-N 1 2 290.407 2.369 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224010 175332234 /nfs/dbraw/zinc/33/22/34/175332234.db2.gz UXZCCSUAQYQRJG-OAHLLOKOSA-N 1 2 270.417 2.484 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224010 175332235 /nfs/dbraw/zinc/33/22/35/175332235.db2.gz UXZCCSUAQYQRJG-OAHLLOKOSA-N 1 2 270.417 2.484 10 0 CEAELO CC[NH2+][C@](C)(CN(CC)c1ccccc1)C(=O)OCC ZINC000045232069 175335632 /nfs/dbraw/zinc/33/56/32/175335632.db2.gz NVRWLDKAPYNIAH-MRXNPFEDSA-N 1 2 278.396 2.444 10 0 CEAELO CCOC(=O)[C@@](C)(CN(CC)c1cccc(C)c1)[NH2+]C ZINC000045273160 175343785 /nfs/dbraw/zinc/34/37/85/175343785.db2.gz XUMYIJUONNIBOM-MRXNPFEDSA-N 1 2 278.396 2.363 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277346 175347062 /nfs/dbraw/zinc/34/70/62/175347062.db2.gz UBCFMYXXWSCRHN-GDBMZVCRSA-N 1 2 282.428 2.482 10 0 CEAELO CC(C)[NH2+][C@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277346 175347064 /nfs/dbraw/zinc/34/70/64/175347064.db2.gz UBCFMYXXWSCRHN-GDBMZVCRSA-N 1 2 282.428 2.482 10 0 CEAELO CC1CCC([N@H+](C)C[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045280512 175350496 /nfs/dbraw/zinc/35/04/96/175350496.db2.gz PBKCUEYUTYPWHC-HGMXIMQMSA-N 1 2 268.401 2.092 10 0 CEAELO CC1CCC([N@@H+](C)C[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045280512 175350497 /nfs/dbraw/zinc/35/04/97/175350497.db2.gz PBKCUEYUTYPWHC-HGMXIMQMSA-N 1 2 268.401 2.092 10 0 CEAELO O=[S@]1CC[NH2+][C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000070674641 176000395 /nfs/dbraw/zinc/00/03/95/176000395.db2.gz RDTVKOQRKJTGCO-MEBBXXQBSA-N 1 2 264.177 2.386 10 0 CEAELO O=C(NCc1[nH]cc[nH+]1)c1cnc(Cl)c(Cl)c1 ZINC000070991301 176019880 /nfs/dbraw/zinc/01/98/80/176019880.db2.gz MPOVAEUTAMUFLP-UHFFFAOYSA-N 1 2 271.107 2.042 10 0 CEAELO CSCc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070991517 176020095 /nfs/dbraw/zinc/02/00/95/176020095.db2.gz KPJAFEGTFOHRBW-UHFFFAOYSA-N 1 2 261.350 2.203 10 0 CEAELO CC1(C)C[N@H+](Cc2ccc(F)cc2C(N)=S)CCO1 ZINC000071265831 176099075 /nfs/dbraw/zinc/09/90/75/176099075.db2.gz MZFFKFSSRVFIIZ-UHFFFAOYSA-N 1 2 282.384 2.071 10 0 CEAELO CC1(C)C[N@@H+](Cc2ccc(F)cc2C(N)=S)CCO1 ZINC000071265831 176099077 /nfs/dbraw/zinc/09/90/77/176099077.db2.gz MZFFKFSSRVFIIZ-UHFFFAOYSA-N 1 2 282.384 2.071 10 0 CEAELO Cn1cc[nH+]c1CNc1ccc2scnc2c1N ZINC000071275471 176106558 /nfs/dbraw/zinc/10/65/58/176106558.db2.gz IMWUWEMGKWTFBN-UHFFFAOYSA-N 1 2 259.338 2.224 10 0 CEAELO Cn1nccc1CNc1ccc2[nH+]cccc2c1N ZINC000071333559 176126128 /nfs/dbraw/zinc/12/61/28/176126128.db2.gz LLOBMJVPMMREKQ-UHFFFAOYSA-N 1 2 253.309 2.163 10 0 CEAELO CCc1[nH+]c2ccccc2n1CCCn1ccc(N)n1 ZINC000071352732 176135793 /nfs/dbraw/zinc/13/57/93/176135793.db2.gz HMMYNLZCXFFUDB-UHFFFAOYSA-N 1 2 269.352 2.468 10 0 CEAELO CCn1cc[nH+]c1CSCC(=O)OC(C)(C)C ZINC000185092779 270244816 /nfs/dbraw/zinc/24/48/16/270244816.db2.gz TVUYCRMCLDIWRU-UHFFFAOYSA-N 1 2 256.371 2.478 10 0 CEAELO Cc1ccc([C@H](C)[NH2+]Cc2nc(N(C)C)no2)cc1F ZINC000192785570 270279748 /nfs/dbraw/zinc/27/97/48/270279748.db2.gz JTZCXXQERPAGEI-JTQLQIEISA-N 1 2 278.331 2.434 10 0 CEAELO COc1cc(-n2cnc(Br)c2)cc[nH+]1 ZINC000072193557 277366621 /nfs/dbraw/zinc/36/66/21/277366621.db2.gz RNEXULQVROORNE-UHFFFAOYSA-N 1 2 254.087 2.038 10 0 CEAELO CCC1(C)CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263229851 278623718 /nfs/dbraw/zinc/62/37/18/278623718.db2.gz NHEZRQSTYLCVHB-JTQLQIEISA-N 1 2 260.328 2.022 10 0 CEAELO C[C@H]1CC[C@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)O1 ZINC000132216270 279973239 /nfs/dbraw/zinc/97/32/39/279973239.db2.gz YSURATHIRGQMKP-SMDDNHRTSA-N 1 2 271.320 2.378 10 0 CEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC2(CC2)c2ccccc21 ZINC000263199745 280076970 /nfs/dbraw/zinc/07/69/70/280076970.db2.gz IVOHIBSMSMYXOD-NSHDSACASA-N 1 2 278.302 2.062 10 0 CEAELO Cn1cccc1C(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484254 294376802 /nfs/dbraw/zinc/37/68/02/294376802.db2.gz RJNNRQXQCKZADZ-CYBMUJFWSA-N 1 2 272.352 2.158 10 0 CEAELO Cn1cccc1C(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484254 294376803 /nfs/dbraw/zinc/37/68/03/294376803.db2.gz RJNNRQXQCKZADZ-CYBMUJFWSA-N 1 2 272.352 2.158 10 0 CEAELO Nc1[nH+]cnc(N2CC[C@@H]3CCCC[C@H]32)c1Cl ZINC000300417552 295374930 /nfs/dbraw/zinc/37/49/30/295374930.db2.gz GVKLXKFJAMBKBR-DTWKUNHWSA-N 1 2 252.749 2.481 10 0 CEAELO Nc1nc[nH+]c(N2CC[C@@H]3CCCC[C@H]32)c1Cl ZINC000300417552 295374931 /nfs/dbraw/zinc/37/49/31/295374931.db2.gz GVKLXKFJAMBKBR-DTWKUNHWSA-N 1 2 252.749 2.481 10 0 CEAELO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)c(C)[nH+]1 ZINC000176723890 312711199 /nfs/dbraw/zinc/71/11/99/312711199.db2.gz MOCCCSKKGVURSN-WCQYABFASA-N 1 2 263.341 2.387 10 0 CEAELO CCCOCC(=O)Cc1[nH+]cc(C)c(OC)c1C ZINC000053779897 520227963 /nfs/dbraw/zinc/22/79/63/520227963.db2.gz SPCAEUVMMIXSBM-UHFFFAOYSA-N 1 2 251.326 2.245 10 0 CEAELO CCCCOCCOCC[C@@H]([NH2+]CCC)C(=O)OCC ZINC000062542784 520789843 /nfs/dbraw/zinc/78/98/43/520789843.db2.gz CMNWYHINUSLQGD-CQSZACIVSA-N 1 2 289.416 2.141 10 0 CEAELO C[NH2+][C@@H](CCOc1cc(C)cc(C)c1C)C(=O)OC ZINC000062551310 522345811 /nfs/dbraw/zinc/34/58/11/522345811.db2.gz HKGYFPSQDALSJW-ZDUSSCGKSA-N 1 2 265.353 2.142 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)Oc1ccccc1OC)C(=O)OC ZINC000068656638 522524657 /nfs/dbraw/zinc/52/46/57/522524657.db2.gz VXLHRYYCMITMSL-XHDPSFHLSA-N 1 2 281.352 2.004 10 0 CEAELO CC(=O)N(C)Cc1ccccc1NCc1c[nH+]c[nH]1 ZINC000054764482 519449807 /nfs/dbraw/zinc/44/98/07/519449807.db2.gz FWBACOWONWOCJW-UHFFFAOYSA-N 1 2 258.325 2.000 10 0 CEAELO CC(=O)N(C)Cc1ccccc1NCc1c[nH]c[nH+]1 ZINC000054764482 519449814 /nfs/dbraw/zinc/44/98/14/519449814.db2.gz FWBACOWONWOCJW-UHFFFAOYSA-N 1 2 258.325 2.000 10 0 CEAELO CC(C)Cc1nc(C[N@@H+]2CCC[C@@H]2CCCO)no1 ZINC000052763089 519458943 /nfs/dbraw/zinc/45/89/43/519458943.db2.gz FPLKXJJGBSQLNF-GFCCVEGCSA-N 1 2 267.373 2.005 10 0 CEAELO CC(C)Cc1nc(C[N@H+]2CCC[C@@H]2CCCO)no1 ZINC000052763089 519458947 /nfs/dbraw/zinc/45/89/47/519458947.db2.gz FPLKXJJGBSQLNF-GFCCVEGCSA-N 1 2 267.373 2.005 10 0 CEAELO CC(C)c1[nH]n(Cc2cccc(F)c2)c(=O)c1CC[NH3+] ZINC000069506471 519557689 /nfs/dbraw/zinc/55/76/89/519557689.db2.gz JZTGRHNGCOTWPM-ZDUSSCGKSA-N 1 2 277.343 2.145 10 0 CEAELO CC(C)CCN(C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061538612 519651278 /nfs/dbraw/zinc/65/12/78/519651278.db2.gz ABLDPGSXUPFRHM-UHFFFAOYSA-N 1 2 280.763 2.193 10 0 CEAELO CC(C)[NH2+][C@](C)(CC[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000050912234 519739814 /nfs/dbraw/zinc/73/98/14/519739814.db2.gz XULOFGODLYRIGM-MRXNPFEDSA-N 1 2 276.380 2.234 10 0 CEAELO CCCC1=NN(c2ccccc2C)C(=O)[C@H]1CC[NH3+] ZINC000069506180 519894313 /nfs/dbraw/zinc/89/43/13/519894313.db2.gz RPLJMOGIZWFNDM-LBPRGKRZSA-N 1 2 259.353 2.463 10 0 CEAELO CC[NH2+][C@@H](CCOCCOc1ccccc1)C(=O)OCC ZINC000062544069 520091558 /nfs/dbraw/zinc/09/15/58/520091558.db2.gz HDIHRZYHRUZGJG-HNNXBMFYSA-N 1 2 295.379 2.013 10 0 CEAELO CCC[NH2+][C@](C[N@H+](C)C[C@@H](C)CC)(C(=O)[O-])C1CC1 ZINC000069098567 520118064 /nfs/dbraw/zinc/11/80/64/520118064.db2.gz ATWIPWKZXVXYGP-WFASDCNBSA-N 1 2 270.417 2.197 10 0 CEAELO CCC[NH2+][C@](C[N@@H+](C)C[C@@H](C)CC)(C(=O)[O-])C1CC1 ZINC000069098567 520118070 /nfs/dbraw/zinc/11/80/70/520118070.db2.gz ATWIPWKZXVXYGP-WFASDCNBSA-N 1 2 270.417 2.197 10 0 CEAELO CCCNc1cc(CN2C(=O)CCCCC2=O)cc[nH+]1 ZINC000052733374 520135066 /nfs/dbraw/zinc/13/50/66/520135066.db2.gz SFEQMBRMLUHGDI-UHFFFAOYSA-N 1 2 275.352 2.333 10 0 CEAELO CC[NH2+][C@H](CCO[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000062543804 520190884 /nfs/dbraw/zinc/19/08/84/520190884.db2.gz YBGVSDRMMNPVHG-YNEHKIRRSA-N 1 2 257.374 2.123 10 0 CEAELO CCCNc1ncccc1C[N@@H+]1CCC[C@H]1C(=O)OC 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CCOC(=O)[C@@H](CCN(C)c1cc(C)cc(C)c1)[NH2+]C ZINC000062528728 521056911 /nfs/dbraw/zinc/05/69/11/521056911.db2.gz FQNHOBSCXWDEAW-OAHLLOKOSA-N 1 2 278.396 2.281 10 0 CEAELO CC[N@H+](CCO)CC(=O)c1cc(Cl)ccc1Cl ZINC000049136419 521098674 /nfs/dbraw/zinc/09/86/74/521098674.db2.gz NDYQDBUINKLNLU-UHFFFAOYSA-N 1 2 276.163 2.490 10 0 CEAELO CC[N@@H+](CCO)CC(=O)c1cc(Cl)ccc1Cl ZINC000049136419 521098683 /nfs/dbraw/zinc/09/86/83/521098683.db2.gz NDYQDBUINKLNLU-UHFFFAOYSA-N 1 2 276.163 2.490 10 0 CEAELO CCOC(=O)[C@@](Cn1cc(Cl)cn1)([NH2+]C(C)C)C1CC1 ZINC000069192567 521168796 /nfs/dbraw/zinc/16/87/96/521168796.db2.gz LCZNMGNXQZEBHN-AWEZNQCLSA-N 1 2 299.802 2.246 10 0 CEAELO CCOC(=O)[C@](C)(COc1cccc(CC)c1)[NH2+]C ZINC000045504258 521322957 /nfs/dbraw/zinc/32/29/57/521322957.db2.gz MJTZYIIVGYFQSO-HNNXBMFYSA-N 1 2 265.353 2.169 10 0 CEAELO CCOC(=O)[C@](COc1ccc(C)cc1)([NH2+]C)C1CC1 ZINC000069196062 521343843 /nfs/dbraw/zinc/34/38/43/521343843.db2.gz SZAMQFMODWXTJP-MRXNPFEDSA-N 1 2 277.364 2.305 10 0 CEAELO CCOc1cccc(O[C@@H](C)C[C@](C)([NH2+]C)C(=O)OC)c1 ZINC000068658329 521404528 /nfs/dbraw/zinc/40/45/28/521404528.db2.gz WLAQVBYPPFSCBI-LRDDRELGSA-N 1 2 295.379 2.394 10 0 CEAELO CCOc1ccccc1O[C@H](C)C[C@@](C)([NH2+]C)C(=O)OC ZINC000068655427 521567989 /nfs/dbraw/zinc/56/79/89/521567989.db2.gz NGSZBNDETPQHDU-MLGOLLRUSA-N 1 2 295.379 2.394 10 0 CEAELO CN(C)c1ccc(-c2[nH+]c(C(C)(C)C)n(N)c2N)cc1 ZINC000052839666 522124682 /nfs/dbraw/zinc/12/46/82/522124682.db2.gz BTTBTQHTZBEXKA-UHFFFAOYSA-N 1 2 273.384 2.210 10 0 CEAELO C[NH2+][C@@H](c1nnc([C@@H]2CCCO2)o1)c1ccccc1 ZINC000050618041 522374815 /nfs/dbraw/zinc/37/48/15/522374815.db2.gz RJJVSWULTGLMKR-NWDGAFQWSA-N 1 2 259.309 2.230 10 0 CEAELO C[NH2+][C@H](c1nnc([C@H]2CCCOC2)o1)c1ccccc1 ZINC000062243896 522487341 /nfs/dbraw/zinc/48/73/41/522487341.db2.gz VCDJQXVLJCPGSY-STQMWFEESA-N 1 2 273.336 2.272 10 0 CEAELO CCc1[nH+]c2ccccc2n1C[C@H]([NH2+]C(C)C)C(=O)[O-] ZINC000062808049 522503825 /nfs/dbraw/zinc/50/38/25/522503825.db2.gz 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CSC[C@H](C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112665812 364824509 /nfs/dbraw/zinc/82/45/09/364824509.db2.gz VVEVNMOJWLSDRA-NSHDSACASA-N 1 2 295.452 2.427 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](CCC)C(=O)OCC)C1 ZINC000114802507 364967215 /nfs/dbraw/zinc/96/72/15/364967215.db2.gz INRDOGOYVULIKF-UONOGXRCSA-N 1 2 298.427 2.099 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](CCC)C(=O)OCC)C1 ZINC000114802507 364967218 /nfs/dbraw/zinc/96/72/18/364967218.db2.gz INRDOGOYVULIKF-UONOGXRCSA-N 1 2 298.427 2.099 10 0 CEAELO Cc1cc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc[nH+]1 ZINC000119807723 365327509 /nfs/dbraw/zinc/32/75/09/365327509.db2.gz PHEBPGGKZPGOLR-LBPRGKRZSA-N 1 2 285.351 2.145 10 0 CEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ncc(C)o1 ZINC000245450023 370821117 /nfs/dbraw/zinc/82/11/17/370821117.db2.gz OFAAQZQLZIUSHN-UPJWGTAASA-N 1 2 278.352 2.289 10 0 CEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ncc(C)o1 ZINC000245450023 370821119 /nfs/dbraw/zinc/82/11/19/370821119.db2.gz OFAAQZQLZIUSHN-UPJWGTAASA-N 1 2 278.352 2.289 10 0 CEAELO CNc1[nH+]cnc2c1cnn2Cc1csc(C(C)C)n1 ZINC000170063827 367374612 /nfs/dbraw/zinc/37/46/12/367374612.db2.gz KLFXDVRUHQYVCL-UHFFFAOYSA-N 1 2 288.380 2.496 10 0 CEAELO Cn1cc([C@H]2CCCN2c2cc[nH+]c(C3CC3)n2)cn1 ZINC000171925982 367641853 /nfs/dbraw/zinc/64/18/53/367641853.db2.gz XHLJOEZHUSZCLF-CYBMUJFWSA-N 1 2 269.352 2.429 10 0 CEAELO CCC(CC)[C@H](C(=O)N[C@H](C)C(C)C)[NH+]1CCOCC1 ZINC000173017476 367859041 /nfs/dbraw/zinc/85/90/41/367859041.db2.gz AVNVNYDLEHQXDS-UKRRQHHQSA-N 1 2 284.444 2.284 10 0 CEAELO CSCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173911187 367958788 /nfs/dbraw/zinc/95/87/88/367958788.db2.gz HRBDBDXZWYAFAS-NSHDSACASA-N 1 2 275.377 2.413 10 0 CEAELO CC(C)n1nnnc1C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175131380 368103498 /nfs/dbraw/zinc/10/34/98/368103498.db2.gz ODXOIXTVOLBOFA-CQSZACIVSA-N 1 2 288.399 2.320 10 0 CEAELO CC(C)n1nnnc1C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175131380 368103500 /nfs/dbraw/zinc/10/35/00/368103500.db2.gz ODXOIXTVOLBOFA-CQSZACIVSA-N 1 2 288.399 2.320 10 0 CEAELO O=C(NCCc1ccccc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176345178 368227941 /nfs/dbraw/zinc/22/79/41/368227941.db2.gz VXPGYPIPQSQSIC-MRXNPFEDSA-N 1 2 298.390 2.300 10 0 CEAELO CCc1ccc([C@@H](C)[NH2+]Cc2nccc(N)n2)cc1 ZINC000181463966 368458755 /nfs/dbraw/zinc/45/87/55/368458755.db2.gz XIXLODKKDIQYLO-LLVKDONJSA-N 1 2 256.353 2.472 10 0 CEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1cccc(OC)c1 ZINC000184164670 368675693 /nfs/dbraw/zinc/67/56/93/368675693.db2.gz UKHSNKSZMWOKEG-OAHLLOKOSA-N 1 2 292.379 2.135 10 0 CEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1cccc(OC)c1 ZINC000184164670 368675698 /nfs/dbraw/zinc/67/56/98/368675698.db2.gz UKHSNKSZMWOKEG-OAHLLOKOSA-N 1 2 292.379 2.135 10 0 CEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cscn1 ZINC000246177181 370920686 /nfs/dbraw/zinc/92/06/86/370920686.db2.gz GFEWMFGLSSCDEI-RTXFEEFZSA-N 1 2 280.393 2.449 10 0 CEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cscn1 ZINC000246177181 370920690 /nfs/dbraw/zinc/92/06/90/370920690.db2.gz GFEWMFGLSSCDEI-RTXFEEFZSA-N 1 2 280.393 2.449 10 0 CEAELO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1cnccn1 ZINC000187117758 369104323 /nfs/dbraw/zinc/10/43/23/369104323.db2.gz BOOLTKCCJRIIDL-WDEREUQCSA-N 1 2 258.325 2.292 10 0 CEAELO CCCCOC[C@@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000193385559 369936218 /nfs/dbraw/zinc/93/62/18/369936218.db2.gz KEYRZYGCTRJNSM-LBPRGKRZSA-N 1 2 277.368 2.177 10 0 CEAELO CCn1c(C)nnc1C[N@H+](C)CCOc1cccc(C)c1 ZINC000195039192 370099100 /nfs/dbraw/zinc/09/91/00/370099100.db2.gz SZROTBGEAOQNGN-UHFFFAOYSA-N 1 2 288.395 2.426 10 0 CEAELO CCn1c(C)nnc1C[N@@H+](C)CCOc1cccc(C)c1 ZINC000195039192 370099103 /nfs/dbraw/zinc/09/91/03/370099103.db2.gz SZROTBGEAOQNGN-UHFFFAOYSA-N 1 2 288.395 2.426 10 0 CEAELO CNc1cc(-c2cc(F)c(F)cc2F)[nH+]c(N)n1 ZINC000223289697 370263576 /nfs/dbraw/zinc/26/35/76/370263576.db2.gz FLAOHCGPVLNSSX-UHFFFAOYSA-N 1 2 254.215 2.185 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](CCC)C(=O)OCC)C1 ZINC000246689691 370995295 /nfs/dbraw/zinc/99/52/95/370995295.db2.gz INRDOGOYVULIKF-KGLIPLIRSA-N 1 2 298.427 2.099 10 0 CEAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](CCC)C(=O)OCC)C1 ZINC000246689691 370995300 /nfs/dbraw/zinc/99/53/00/370995300.db2.gz INRDOGOYVULIKF-KGLIPLIRSA-N 1 2 298.427 2.099 10 0 CEAELO C[C@H](O)C[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000248646459 371230509 /nfs/dbraw/zinc/23/05/09/371230509.db2.gz HLYZNNYNYHYYRY-WDEREUQCSA-N 1 2 284.425 2.195 10 0 CEAELO C[C@H](O)C[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000248646459 371230513 /nfs/dbraw/zinc/23/05/13/371230513.db2.gz HLYZNNYNYHYYRY-WDEREUQCSA-N 1 2 284.425 2.195 10 0 CEAELO CC[C@H]1CC[C@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000253294512 371505770 /nfs/dbraw/zinc/50/57/70/371505770.db2.gz HQVHTRWXTNEGFS-KKUMJFAQSA-N 1 2 282.428 2.040 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cnc(N)s1)C2 ZINC000261725568 371711809 /nfs/dbraw/zinc/71/18/09/371711809.db2.gz GKRTZEMWDDBEHW-UHFFFAOYSA-N 1 2 291.424 2.141 10 0 CEAELO c1ncc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)cn1 ZINC000275685237 374218298 /nfs/dbraw/zinc/21/82/98/374218298.db2.gz WPBFXIBMUUYDRT-OAHLLOKOSA-N 1 2 283.379 2.416 10 0 CEAELO Cc1c(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cnn1C ZINC000284120745 375812290 /nfs/dbraw/zinc/81/22/90/375812290.db2.gz TXTVRDZPMQCCLB-UHFFFAOYSA-N 1 2 295.390 2.263 10 0 CEAELO CCC[C@@H]1C[C@H]1Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000301419808 379279440 /nfs/dbraw/zinc/27/94/40/379279440.db2.gz DJESTGAMKBMESQ-MGPQQGTHSA-N 1 2 290.411 2.286 10 0 CEAELO CCC[C@@H]1C[C@H]1Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301419808 379279453 /nfs/dbraw/zinc/27/94/53/379279453.db2.gz DJESTGAMKBMESQ-MGPQQGTHSA-N 1 2 290.411 2.286 10 0 CEAELO C[C@@H]1CCCN(c2cc(NCC3(CCO)CC3)[nH+]cn2)C1 ZINC000302482536 379380561 /nfs/dbraw/zinc/38/05/61/379380561.db2.gz WVZOWWNCBQWLEV-CYBMUJFWSA-N 1 2 290.411 2.287 10 0 CEAELO C[C@@H]1CCCN(c2cc(NCC3(CCO)CC3)nc[nH+]2)C1 ZINC000302482536 379380572 /nfs/dbraw/zinc/38/05/72/379380572.db2.gz WVZOWWNCBQWLEV-CYBMUJFWSA-N 1 2 290.411 2.287 10 0 CEAELO C[C@@H]1CC[C@@H](Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302553674 379394981 /nfs/dbraw/zinc/39/49/81/379394981.db2.gz RAEBHGUYHFWEQY-JHJVBQTASA-N 1 2 276.384 2.038 10 0 CEAELO C[C@@H]1CC[C@@H](Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302553674 379394994 /nfs/dbraw/zinc/39/49/94/379394994.db2.gz RAEBHGUYHFWEQY-JHJVBQTASA-N 1 2 276.384 2.038 10 0 CEAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181090472 542270789 /nfs/dbraw/zinc/27/07/89/542270789.db2.gz QZOLQKRYDCAPNL-CMPLNLGQSA-N 1 2 288.399 2.099 10 0 CEAELO COC[C@@H](C)Nc1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000043410768 184559216 /nfs/dbraw/zinc/55/92/16/184559216.db2.gz XCTKSLYEZSJLHI-SECBINFHSA-N 1 2 279.409 2.041 10 0 CEAELO CO[C@H](C)c1nsc(NCCc2[nH+]cccc2C)n1 ZINC000404600588 533120343 /nfs/dbraw/zinc/12/03/43/533120343.db2.gz WKGWYSGNGIMMGI-SNVBAGLBSA-N 1 2 278.381 2.025 10 0 CEAELO COC(=O)[C@H]([NH2+]Cc1cccc2[nH]ccc21)C(C)C ZINC000080333964 177642716 /nfs/dbraw/zinc/64/27/16/177642716.db2.gz JIKQHRVIMHWVPN-CQSZACIVSA-N 1 2 260.337 2.455 10 0 CEAELO C[C@@]([NH2+]Cc1ccccc1)(C(N)=O)c1cc(F)cc(F)c1 ZINC000094827938 184875622 /nfs/dbraw/zinc/87/56/22/184875622.db2.gz UYHHFZPULRBNPB-INIZCTEOSA-N 1 2 290.313 2.455 10 0 CEAELO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[C@@H]1C ZINC000190568103 130121381 /nfs/dbraw/zinc/12/13/81/130121381.db2.gz NTTKIFGYXDOVNF-STQMWFEESA-N 1 2 278.400 2.276 10 0 CEAELO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CCCO[C@@H]3C)cn21 ZINC000191546442 130252582 /nfs/dbraw/zinc/25/25/82/130252582.db2.gz QLXUJQSWEVMPKU-TZMCWYRMSA-N 1 2 287.363 2.074 10 0 CEAELO CCCC[N@H+](C)c1ccc(NS(=O)(=O)N(C)C)cc1 ZINC000244278595 131084292 /nfs/dbraw/zinc/08/42/92/131084292.db2.gz WSTFAPMEJDZRSN-UHFFFAOYSA-N 1 2 285.413 2.141 10 0 CEAELO CCCC[N@@H+](C)c1ccc(NS(=O)(=O)N(C)C)cc1 ZINC000244278595 131084294 /nfs/dbraw/zinc/08/42/94/131084294.db2.gz WSTFAPMEJDZRSN-UHFFFAOYSA-N 1 2 285.413 2.141 10 0 CEAELO Clc1cnc(Cl)nc1N1CC[NH+](C2CC2)CC1 ZINC000093799824 135082580 /nfs/dbraw/zinc/08/25/80/135082580.db2.gz LUKMGXCDIOWIAG-UHFFFAOYSA-N 1 2 273.167 2.068 10 0 CEAELO NC(=O)c1cc(-n2cccc2)ccc1[NH+]1CCCC1 ZINC000226279657 394470836 /nfs/dbraw/zinc/47/08/36/394470836.db2.gz DMOFJBCGQOJRTG-UHFFFAOYSA-N 1 2 255.321 2.176 10 0 CEAELO Cc1cnc(C)c(N2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000302156184 394473937 /nfs/dbraw/zinc/47/39/37/394473937.db2.gz NONMUISVSNZXBM-AWEZNQCLSA-N 1 2 270.336 2.146 10 0 CEAELO Cn1c(Cl)cnc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152214856 394990266 /nfs/dbraw/zinc/99/02/66/394990266.db2.gz RWYBWTXBXGUOMM-LBPRGKRZSA-N 1 2 292.770 2.122 10 0 CEAELO Cn1c(Cl)cnc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152214856 394990273 /nfs/dbraw/zinc/99/02/73/394990273.db2.gz RWYBWTXBXGUOMM-LBPRGKRZSA-N 1 2 292.770 2.122 10 0 CEAELO Cc1ccc([C@@H](C)NC(=O)CCc2c[nH+]cn2C)o1 ZINC000188621116 153062635 /nfs/dbraw/zinc/06/26/35/153062635.db2.gz OZSVNONTGBUJKL-LLVKDONJSA-N 1 2 261.325 2.132 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1cccc(Br)c1 ZINC000189077136 153081657 /nfs/dbraw/zinc/08/16/57/153081657.db2.gz ZSXACPPDVLQRHO-SNVBAGLBSA-N 1 2 297.196 2.160 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc(Br)c1 ZINC000189077136 153081659 /nfs/dbraw/zinc/08/16/59/153081659.db2.gz ZSXACPPDVLQRHO-SNVBAGLBSA-N 1 2 297.196 2.160 10 0 CEAELO CCc1nnc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)n1C ZINC000195019464 153270868 /nfs/dbraw/zinc/27/08/68/153270868.db2.gz HAYJVPFNKIYRRV-SECBINFHSA-N 1 2 276.306 2.152 10 0 CEAELO CCc1nnc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)n1C ZINC000195019464 153270871 /nfs/dbraw/zinc/27/08/71/153270871.db2.gz HAYJVPFNKIYRRV-SECBINFHSA-N 1 2 276.306 2.152 10 0 CEAELO COCC[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195397934 153288724 /nfs/dbraw/zinc/28/87/24/153288724.db2.gz NPEBVJSZKKFSQG-LLVKDONJSA-N 1 2 284.425 2.460 10 0 CEAELO COCC[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195397934 153288729 /nfs/dbraw/zinc/28/87/29/153288729.db2.gz NPEBVJSZKKFSQG-LLVKDONJSA-N 1 2 284.425 2.460 10 0 CEAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCCCC2)o1 ZINC000230644136 153394113 /nfs/dbraw/zinc/39/41/13/153394113.db2.gz PSTFLGDJUKRFOS-OLZOCXBDSA-N 1 2 279.384 2.425 10 0 CEAELO CO[C@@H](C)c1cccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263197100 154030681 /nfs/dbraw/zinc/03/06/81/154030681.db2.gz IOEJUHMJOLGHER-JOYOIKCWSA-N 1 2 284.306 2.330 10 0 CEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@H](Cc2ccccc2)C1 ZINC000263275172 154047344 /nfs/dbraw/zinc/04/73/44/154047344.db2.gz STAFYIYFBPPHBY-ZIAGYGMSSA-N 1 2 294.345 2.075 10 0 CEAELO Cc1ccc2[nH+]c(CN3[C@@H](C)COC[C@@H]3C)cn2c1 ZINC000084089620 292390778 /nfs/dbraw/zinc/39/07/78/292390778.db2.gz QINUQRVXXOFMTR-STQMWFEESA-N 1 2 259.353 2.252 10 0 CEAELO O=C(CCCC1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000174013471 165090232 /nfs/dbraw/zinc/09/02/32/165090232.db2.gz YQIYVOIAVWCCSS-MRXNPFEDSA-N 1 2 294.439 2.280 10 0 CEAELO Cc1nc2n(n1)CCC[C@H]2Nc1cc[nH+]c(C(C)C)n1 ZINC000176724553 165174442 /nfs/dbraw/zinc/17/44/42/165174442.db2.gz UHEIHZRGSPIQSQ-LLVKDONJSA-N 1 2 272.356 2.447 10 0 CEAELO CCCCC[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000034938145 171898089 /nfs/dbraw/zinc/89/80/89/171898089.db2.gz IXPQMVLKAIPXJB-UHFFFAOYSA-N 1 2 251.355 2.264 10 0 CEAELO C[NH+](C)CCCn1c(=O)c2ccsc2[nH]c1=S ZINC000035206642 172051396 /nfs/dbraw/zinc/05/13/96/172051396.db2.gz SKGVUOFQFHSOJM-UHFFFAOYSA-N 1 2 269.395 2.072 10 0 CEAELO C[NH+]1CCC(n2c(=O)c3sccc3[nH]c2=S)CC1 ZINC000035698665 172366803 /nfs/dbraw/zinc/36/68/03/172366803.db2.gz DJAYQDPXMLQDAT-UHFFFAOYSA-N 1 2 281.406 2.013 10 0 CEAELO C[N@H+](CC(=O)Nc1cccc(N)c1)Cc1cccs1 ZINC000035716715 172370185 /nfs/dbraw/zinc/37/01/85/172370185.db2.gz UOXPVOPPUPWYLY-UHFFFAOYSA-N 1 2 275.377 2.401 10 0 CEAELO C[N@@H+](CC(=O)Nc1cccc(N)c1)Cc1cccs1 ZINC000035716715 172370187 /nfs/dbraw/zinc/37/01/87/172370187.db2.gz UOXPVOPPUPWYLY-UHFFFAOYSA-N 1 2 275.377 2.401 10 0 CEAELO NC(=O)c1cccc(CSc2ccc(N)[nH+]c2)c1 ZINC000037192249 173020910 /nfs/dbraw/zinc/02/09/10/173020910.db2.gz IFVXGIIMPNUONV-UHFFFAOYSA-N 1 2 259.334 2.055 10 0 CEAELO FC(F)(F)Cc1[nH]c2cc3c(cc2[nH+]1)OCCO3 ZINC000037400487 173178094 /nfs/dbraw/zinc/17/80/94/173178094.db2.gz HIEZCRDJVPPADN-UHFFFAOYSA-N 1 2 258.199 2.439 10 0 CEAELO COc1ccc([C@H]([NH3+])c2noc(C)n2)cc1Br ZINC000038052538 174064020 /nfs/dbraw/zinc/06/40/20/174064020.db2.gz MZCKXPZPKWIAMI-JTQLQIEISA-N 1 2 298.140 2.197 10 0 CEAELO COCCCNC(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040295641 174223616 /nfs/dbraw/zinc/22/36/16/174223616.db2.gz MWZYKEPEOPJCGG-UHFFFAOYSA-N 1 2 289.379 2.312 10 0 CEAELO CCNc1[nH+]cnc(N2CCc3ccccc32)c1N ZINC000040687277 174376083 /nfs/dbraw/zinc/37/60/83/174376083.db2.gz LEQLUKUKQKTEIN-UHFFFAOYSA-N 1 2 255.325 2.185 10 0 CEAELO CCc1ccc(Nc2[nH+]cnc(N(C)C)c2N)cc1 ZINC000040688412 174376152 /nfs/dbraw/zinc/37/61/52/174376152.db2.gz ZXOCWHPDUHHMBR-UHFFFAOYSA-N 1 2 257.341 2.431 10 0 CEAELO CCOC1CC[NH+](CC(=O)c2ccccc2OC)CC1 ZINC000040689757 174376299 /nfs/dbraw/zinc/37/62/99/174376299.db2.gz WKUJGYSENINSGA-UHFFFAOYSA-N 1 2 277.364 2.379 10 0 CEAELO COC(=O)[C@](C)(CN1c2ccccc2C[C@@H]1C)[NH2+]C(C)C ZINC000045222634 175330860 /nfs/dbraw/zinc/33/08/60/175330860.db2.gz YCJFISVWEBBCEQ-GUYCJALGSA-N 1 2 290.407 2.367 10 0 CEAELO CCC[NH2+][C@](C)(C[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223625 175331750 /nfs/dbraw/zinc/33/17/50/175331750.db2.gz HIDMFYSAHHAXEL-CQSZACIVSA-N 1 2 256.390 2.095 10 0 CEAELO CCC[NH2+][C@](C)(CN(CC(F)(F)F)C(C)C)C(=O)OC ZINC000045273925 175344310 /nfs/dbraw/zinc/34/43/10/175344310.db2.gz VDSIGAXLURMFRB-GFCCVEGCSA-N 1 2 298.349 2.190 10 0 CEAELO C[C@](C[N@@H+]1CCC[C@@H]1C1CCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045277347 175347692 /nfs/dbraw/zinc/34/76/92/175347692.db2.gz JAJAUQORPMKODK-GDBMZVCRSA-N 1 2 280.412 2.236 10 0 CEAELO C[C@](C[N@H+]1CCC[C@@H]1C1CCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045277347 175347695 /nfs/dbraw/zinc/34/76/95/175347695.db2.gz JAJAUQORPMKODK-GDBMZVCRSA-N 1 2 280.412 2.236 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279923 175350317 /nfs/dbraw/zinc/35/03/17/175350317.db2.gz RLRPBYUCDFUOAO-JSGCOSHPSA-N 1 2 258.406 2.196 10 0 CEAELO CCC[NH2+][C@@](C)(C[N@@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279923 175350319 /nfs/dbraw/zinc/35/03/19/175350319.db2.gz RLRPBYUCDFUOAO-JSGCOSHPSA-N 1 2 258.406 2.196 10 0 CEAELO C[C@H](CC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000046269548 175395311 /nfs/dbraw/zinc/39/53/11/175395311.db2.gz FQAZRPXMZGOISS-HUUCEWRRSA-N 1 2 290.407 2.017 10 0 CEAELO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000070942269 176015218 /nfs/dbraw/zinc/01/52/18/176015218.db2.gz OTONPPLLFVRRLW-VHSXEESVSA-N 1 2 269.414 2.487 10 0 CEAELO Nc1[nH+]cccc1OC[C@H]1OCCc2ccccc21 ZINC000071044514 176029881 /nfs/dbraw/zinc/02/98/81/176029881.db2.gz OILVNQTYGRZPQG-CQSZACIVSA-N 1 2 256.305 2.357 10 0 CEAELO c1cc2c(s1)CC[NH2+][C@H]2c1nc2cc[nH]cc-2n1 ZINC000071166724 176048913 /nfs/dbraw/zinc/04/89/13/176048913.db2.gz DKJOVNQDPDFZTM-GFCCVEGCSA-N 1 2 256.334 2.255 10 0 CEAELO CNc1ccc(Cl)cc1C(=O)NCc1[nH+]ccn1C ZINC000071275289 176105982 /nfs/dbraw/zinc/10/59/82/176105982.db2.gz NVSNHYBOWWDTBF-UHFFFAOYSA-N 1 2 278.743 2.045 10 0 CEAELO COc1ccccc1C(=O)NCc1cn2cc(F)ccc2[nH+]1 ZINC000071446281 176175402 /nfs/dbraw/zinc/17/54/02/176175402.db2.gz BYUWYVYWTRMTMH-UHFFFAOYSA-N 1 2 299.305 2.412 10 0 CEAELO Cc1cc(N2CCC[C@@H]2c2nccnc2C)nc[nH+]1 ZINC000072385504 176389695 /nfs/dbraw/zinc/38/96/95/176389695.db2.gz IATPHXQHWQTOHY-GFCCVEGCSA-N 1 2 255.325 2.225 10 0 CEAELO Cc1cc2cccnc2c(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000074888326 176628561 /nfs/dbraw/zinc/62/85/61/176628561.db2.gz YOUZXNFNPFAEMP-GFCCVEGCSA-N 1 2 273.361 2.144 10 0 CEAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000077368299 177258390 /nfs/dbraw/zinc/25/83/90/177258390.db2.gz PQSIHCICPPCESK-RYUDHWBXSA-N 1 2 296.798 2.065 10 0 CEAELO C[C@@H](CNC(=O)[C@H]1CCCCC1(C)C)[NH+]1CCOCC1 ZINC000193792431 270289471 /nfs/dbraw/zinc/28/94/71/270289471.db2.gz JTSNZHMSCDXXHB-UONOGXRCSA-N 1 2 282.428 2.040 10 0 CEAELO Cc1cc[nH+]c(NCC2CC(O)C2)c1Br ZINC000235931540 280221389 /nfs/dbraw/zinc/22/13/89/280221389.db2.gz OALYVXPCRLMEDK-UHFFFAOYSA-N 1 2 271.158 2.335 10 0 CEAELO CC(C)N1CCC[C@@H]([N@H+](C)[C@H](C)C(=O)OC(C)(C)C)C1=O ZINC000248757118 280363595 /nfs/dbraw/zinc/36/35/95/280363595.db2.gz PQVUZFRXNWLBKT-CHWSQXEVSA-N 1 2 298.427 2.048 10 0 CEAELO CC(C)N1CCC[C@@H]([N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)C1=O ZINC000248757118 280363596 /nfs/dbraw/zinc/36/35/96/280363596.db2.gz PQVUZFRXNWLBKT-CHWSQXEVSA-N 1 2 298.427 2.048 10 0 CEAELO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CCO1 ZINC000249049571 280381391 /nfs/dbraw/zinc/38/13/91/280381391.db2.gz INTZBFHKVLISOX-SQWLQELKSA-N 1 2 290.407 2.363 10 0 CEAELO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CCO1 ZINC000249049571 280381394 /nfs/dbraw/zinc/38/13/94/280381394.db2.gz INTZBFHKVLISOX-SQWLQELKSA-N 1 2 290.407 2.363 10 0 CEAELO Cn1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)nn1 ZINC000344690293 294240419 /nfs/dbraw/zinc/24/04/19/294240419.db2.gz XAMWUZOUSJQGLH-CYBMUJFWSA-N 1 2 272.352 2.207 10 0 CEAELO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246356696 298147285 /nfs/dbraw/zinc/14/72/85/298147285.db2.gz MYFMRMIXSXPDSM-ZJUUUORDSA-N 1 2 290.285 2.484 10 0 CEAELO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246356696 298147288 /nfs/dbraw/zinc/14/72/88/298147288.db2.gz MYFMRMIXSXPDSM-ZJUUUORDSA-N 1 2 290.285 2.484 10 0 CEAELO O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263299889 303901094 /nfs/dbraw/zinc/90/10/94/303901094.db2.gz WXPALBZXEVFGBG-UTUOFQBUSA-N 1 2 272.339 2.069 10 0 CEAELO CCc1nnc(C[NH2+][C@@H](C)c2c(F)cccc2OC)n1C ZINC000179891133 312757522 /nfs/dbraw/zinc/75/75/22/312757522.db2.gz ZSKDJMWKFPVEGE-JTQLQIEISA-N 1 2 292.358 2.376 10 0 CEAELO CCc1nnc(C[NH2+][C@H](CC)c2nccs2)n1C ZINC000185076787 321738573 /nfs/dbraw/zinc/73/85/73/321738573.db2.gz LVWIZVYMNXNTSR-SECBINFHSA-N 1 2 265.386 2.075 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1ccccc1C)C(=O)OCC ZINC000062529232 520085574 /nfs/dbraw/zinc/08/55/74/520085574.db2.gz BCCAQBSVFAOBAW-AWEZNQCLSA-N 1 2 278.396 2.363 10 0 CEAELO CCC[NH2+][C@](CSCC)(C(=O)OCC)C1CC1 ZINC000069185056 520125330 /nfs/dbraw/zinc/12/53/30/520125330.db2.gz SSKSPJUEZPFYGG-ZDUSSCGKSA-N 1 2 259.415 2.451 10 0 CEAELO CC[NH2+][C@H](CCN(C)c1cccc(C)c1)C(=O)OCC ZINC000062529430 520186672 /nfs/dbraw/zinc/18/66/72/520186672.db2.gz DJNXZDJGXTWUPQ-OAHLLOKOSA-N 1 2 278.396 2.363 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)Sc1cnccn1)C(=O)OCC ZINC000068643175 520238882 /nfs/dbraw/zinc/23/88/82/520238882.db2.gz JFTYJNGNYLNPHP-BXUZGUMPSA-N 1 2 297.424 2.279 10 0 CEAELO CCOC(=O)CC(=O)C[N@H+](CC)Cc1cccs1 ZINC000068814415 520589513 /nfs/dbraw/zinc/58/95/13/520589513.db2.gz VOAKWYSPNADBOK-UHFFFAOYSA-N 1 2 269.366 2.092 10 0 CEAELO CCOC(=O)CC(=O)C[N@@H+](CC)Cc1cccs1 ZINC000068814415 520589518 /nfs/dbraw/zinc/58/95/18/520589518.db2.gz VOAKWYSPNADBOK-UHFFFAOYSA-N 1 2 269.366 2.092 10 0 CEAELO CCOC(=O)[C@@H](CCOc1ccc(C)c(C)c1)[NH2+]C ZINC000062549438 521059902 /nfs/dbraw/zinc/05/99/02/521059902.db2.gz PVAQLUXDUDUGKQ-CQSZACIVSA-N 1 2 265.353 2.223 10 0 CEAELO CCOC(=O)[C@](C)(C[C@H](C)Sc1nccc(C)n1)[NH2+]C ZINC000068640459 521323875 /nfs/dbraw/zinc/32/38/75/521323875.db2.gz JXHSISUXTUHTGN-FZMZJTMJSA-N 1 2 297.424 2.197 10 0 CEAELO CC(C)CCOc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061519572 519675937 /nfs/dbraw/zinc/67/59/37/519675937.db2.gz QRQHGMPXUXWGBP-UHFFFAOYSA-N 1 2 267.720 2.136 10 0 CEAELO CCC1CC[NH+](C[C@@]([NH2+]C2CC2)(C(=O)[O-])C2CC2)CC1 ZINC000069183799 519859238 /nfs/dbraw/zinc/85/92/38/519859238.db2.gz RUFWCAAKXZTKOZ-INIZCTEOSA-N 1 2 280.412 2.094 10 0 CEAELO CCC[NH2+][C@@H](Cn1cc[nH+]c1-c1ccccc1)C(=O)[O-] ZINC000045437632 520016326 /nfs/dbraw/zinc/01/63/26/520016326.db2.gz NTQPIYINJHNEEJ-ZDUSSCGKSA-N 1 2 273.336 2.003 10 0 CEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)c1cccc(O)c1 ZINC000183975502 520033570 /nfs/dbraw/zinc/03/35/70/520033570.db2.gz FCRDQSLXGWWGLB-UHFFFAOYSA-N 1 2 280.349 2.144 10 0 CEAELO CCC[NH2+][C@@](COCC1CC1)(C(=O)OCC)C1CC1 ZINC000069196693 520054511 /nfs/dbraw/zinc/05/45/11/520054511.db2.gz URNQCEVWSIMAAZ-OAHLLOKOSA-N 1 2 269.385 2.125 10 0 CEAELO CCC[NH2+][C@H](CCOc1ccc(OC)cc1)C(=O)OC ZINC000062550577 520078731 /nfs/dbraw/zinc/07/87/31/520078731.db2.gz JMIOPNSTBYFUNG-CQSZACIVSA-N 1 2 281.352 2.005 10 0 CEAELO CCC[NH2+][C@H](CCOc1cccc(COC)c1)C(=O)OC ZINC000069508670 520079489 /nfs/dbraw/zinc/07/94/89/520079489.db2.gz DKXOBUASZOAKTJ-OAHLLOKOSA-N 1 2 295.379 2.143 10 0 CEAELO CCC[NH2+][C@](COCC(C)C)(C(=O)OCC)C1CC1 ZINC000069196320 520121833 /nfs/dbraw/zinc/12/18/33/520121833.db2.gz PHUPEBXZAISAKQ-HNNXBMFYSA-N 1 2 271.401 2.371 10 0 CEAELO CCCNc1ccc(CN2C(=O)CSC2=O)c[nH+]1 ZINC000050818297 520153935 /nfs/dbraw/zinc/15/39/35/520153935.db2.gz NCVWVJICZZHWDT-UHFFFAOYSA-N 1 2 265.338 2.099 10 0 CEAELO CC[NH2+][C@H](CCOCCOc1ccccc1)C(=O)OCC ZINC000062544070 520191613 /nfs/dbraw/zinc/19/16/13/520191613.db2.gz HDIHRZYHRUZGJG-OAHLLOKOSA-N 1 2 295.379 2.013 10 0 CEAELO CC[NH2+][C@](COc1cccc(F)c1)(C(=O)OC)C1CC1 ZINC000069197679 520250536 /nfs/dbraw/zinc/25/05/36/520250536.db2.gz BSHMQRNYPNBKFA-HNNXBMFYSA-N 1 2 281.327 2.136 10 0 CEAELO CC[NH2+][C@](COc1ccc(F)c(F)c1)(C(=O)OC)C1CC1 ZINC000069198145 520251173 /nfs/dbraw/zinc/25/11/73/520251173.db2.gz FNCAKSKKCFMAPU-HNNXBMFYSA-N 1 2 299.317 2.275 10 0 CEAELO CCNc1ccc(Cn2c(=O)cnc3ccccc32)c[nH+]1 ZINC000050828907 520316889 /nfs/dbraw/zinc/31/68/89/520316889.db2.gz LSHNKUGUSXZXJC-UHFFFAOYSA-N 1 2 280.331 2.272 10 0 CEAELO CCNc1snnc1C[N@H+](CCOC)[C@H](C)C1CC1 ZINC000050816719 520385964 /nfs/dbraw/zinc/38/59/64/520385964.db2.gz ZYFHWHPNECBJKP-SNVBAGLBSA-N 1 2 284.429 2.217 10 0 CEAELO CCNc1snnc1C[N@@H+](CCOC)[C@H](C)C1CC1 ZINC000050816719 520385969 /nfs/dbraw/zinc/38/59/69/520385969.db2.gz ZYFHWHPNECBJKP-SNVBAGLBSA-N 1 2 284.429 2.217 10 0 CEAELO CCO[C@@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCOCC2 ZINC000184102737 520438354 /nfs/dbraw/zinc/43/83/54/520438354.db2.gz UNNLPVHATHUKLI-QWHCGFSZSA-N 1 2 277.368 2.171 10 0 CEAELO CCOC(=O)[C@@](C)([NH3+])CSc1nc2ccc(C)cc2[nH]1 ZINC000061441053 521154785 /nfs/dbraw/zinc/15/47/85/521154785.db2.gz XKWMFMCMZDZBHO-AWEZNQCLSA-N 1 2 293.392 2.244 10 0 CEAELO CCOC(=O)[C@@](CN(C)c1ccccc1F)([NH2+]C)C1CC1 ZINC000069231472 521167859 /nfs/dbraw/zinc/16/78/59/521167859.db2.gz UGAUOQBOHUNLAI-INIZCTEOSA-N 1 2 294.370 2.193 10 0 CEAELO CCOC(=O)[C@H](CCOC1CCCC1)[NH2+]C(C)C ZINC000062546123 521248402 /nfs/dbraw/zinc/24/84/02/521248402.db2.gz LUUXTZAISWSRRB-ZDUSSCGKSA-N 1 2 257.374 2.265 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)n1cc(C)cn1)[NH2+]C1CC1 ZINC000068648978 521322862 /nfs/dbraw/zinc/32/28/62/521322862.db2.gz IRKDWVDWNXRZEO-DOMZBBRYSA-N 1 2 279.384 2.216 10 0 CEAELO CCOC(=O)[C@](C)(C[C@H](C)n1ccc(C)n1)[NH2+]C1CC1 ZINC000068650549 521325776 /nfs/dbraw/zinc/32/57/76/521325776.db2.gz FXEHQNMQXJIOEZ-WFASDCNBSA-N 1 2 279.384 2.216 10 0 CEAELO CCOC(=O)[C@]1([NH2+]Cc2cccs2)CCO[C@@H](C)C1 ZINC000069546341 521358329 /nfs/dbraw/zinc/35/83/29/521358329.db2.gz HJPNXGWXFXSWTQ-FZMZJTMJSA-N 1 2 283.393 2.339 10 0 CEAELO CCC(C)(C)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061534309 521359435 /nfs/dbraw/zinc/35/94/35/521359435.db2.gz AQCFPVRUKGMDQR-UHFFFAOYSA-N 1 2 266.736 2.311 10 0 CEAELO CCCc1ccc(S(=O)(=O)Nc2cc[nH+]cc2N)cc1 ZINC000062725989 521412619 /nfs/dbraw/zinc/41/26/19/521412619.db2.gz QHPRYHVXEYOEJI-UHFFFAOYSA-N 1 2 291.376 2.417 10 0 CEAELO CCCc1[nH+]c(-c2ccc3c(c2)CCCN3C)c(N)n1N ZINC000052839331 521465935 /nfs/dbraw/zinc/46/59/35/521465935.db2.gz HZYVJDCESNYCFT-UHFFFAOYSA-N 1 2 285.395 2.181 10 0 CEAELO CCOC(=O)c1c[nH+]c2c(COC)cccc2c1N ZINC000050843386 521575372 /nfs/dbraw/zinc/57/53/72/521575372.db2.gz IFXSJSBMIMQDMF-UHFFFAOYSA-N 1 2 260.293 2.140 10 0 CEAELO CCc1[nH+]c(-c2ccc(Br)cc2F)c(N)n1N ZINC000052838890 522145096 /nfs/dbraw/zinc/14/50/96/522145096.db2.gz OKYNKBRWIUCFMJ-UHFFFAOYSA-N 1 2 299.147 2.310 10 0 CEAELO C[NH2+][C@@H](CCOc1ccccc1C(C)C)C(=O)OC ZINC000062550885 522348635 /nfs/dbraw/zinc/34/86/35/522348635.db2.gz FRYOWXUDVLLSTM-ZDUSSCGKSA-N 1 2 265.353 2.340 10 0 CEAELO C[NH2+][C@H](CCSc1cccc(C)c1)C(=O)OC ZINC000062601514 522463637 /nfs/dbraw/zinc/46/36/37/522463637.db2.gz MRJOXYDFCUTVDQ-GFCCVEGCSA-N 1 2 253.367 2.238 10 0 CEAELO CCc1[nH+]c2ccccc2n1CCC[C@](C)([NH2+]C)C(=O)[O-] ZINC000062808031 522501648 /nfs/dbraw/zinc/50/16/48/522501648.db2.gz BQOSAFXSWBCZSC-INIZCTEOSA-N 1 2 289.379 2.442 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)Sc1nc(C)cc(C)n1)C(=O)OC ZINC000068640596 522519791 /nfs/dbraw/zinc/51/97/91/522519791.db2.gz AWXQPIPDDRRBRR-BXUZGUMPSA-N 1 2 297.424 2.115 10 0 CEAELO CNc1cc(COc2cccc(S(C)(=O)=O)c2)cc[nH+]1 ZINC000052755524 522568463 /nfs/dbraw/zinc/56/84/63/522568463.db2.gz LIQSAZQKKYOELY-UHFFFAOYSA-N 1 2 292.360 2.106 10 0 CEAELO CCn1cc[nH+]c1CN1C(=O)C(=O)c2cc(C)cc(F)c21 ZINC000054743671 523529362 /nfs/dbraw/zinc/52/93/62/523529362.db2.gz HIDKZJVOGUGVDN-UHFFFAOYSA-N 1 2 287.294 2.080 10 0 CEAELO CCc1cc(N)nc(-c2cc(OC)c(OC)c(OC)c2)[nH+]1 ZINC000050866875 523790266 /nfs/dbraw/zinc/79/02/66/523790266.db2.gz HVGVFKZITDHIEJ-UHFFFAOYSA-N 1 2 289.335 2.314 10 0 CEAELO COC(=O)[C@H]([NH2+]Cc1ccc(F)c(C)c1)C(C)C ZINC000050545007 523927985 /nfs/dbraw/zinc/92/79/85/523927985.db2.gz OGZHYCHICGLYCM-CYBMUJFWSA-N 1 2 253.317 2.421 10 0 CEAELO CC[C@H](C)[NH+]1CCN(c2nsnc2Cl)CC1 ZINC000055084601 523961977 /nfs/dbraw/zinc/96/19/77/523961977.db2.gz KBSASJHGCDCZKL-QMMMGPOBSA-N 1 2 260.794 2.112 10 0 CEAELO CCc1ccc(NC(=O)c2cccc(NN)[nH+]2)cc1 ZINC000051096721 523992519 /nfs/dbraw/zinc/99/25/19/523992519.db2.gz PBNQLDDBFRTWHW-UHFFFAOYSA-N 1 2 256.309 2.182 10 0 CEAELO COC(=O)[C@](COc1ccc(C)cc1)([NH2+]C1CC1)C1CC1 ZINC000069196080 524004509 /nfs/dbraw/zinc/00/45/09/524004509.db2.gz MOKWSNSKBFKODW-QGZVFWFLSA-N 1 2 289.375 2.448 10 0 CEAELO CCc1ccc(OC[C@]([NH2+]C)(C(=O)OC)C2CC2)cc1 ZINC000069197183 524006846 /nfs/dbraw/zinc/00/68/46/524006846.db2.gz YIZDRFDCTZGWKZ-MRXNPFEDSA-N 1 2 277.364 2.169 10 0 CEAELO CNC(=O)Nc1ccc(NCc2c[nH+]c(C)[nH]2)cc1 ZINC000054822168 524079979 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/nfs/dbraw/zinc/85/71/78/525857178.db2.gz KVJWBKXAOJABHI-JTQLQIEISA-N 1 2 299.212 2.254 10 0 CEAELO Cc1[nH+]c(-c2c(Cl)cccc2Cl)c(N)n1N ZINC000052838376 526559273 /nfs/dbraw/zinc/55/92/73/526559273.db2.gz PWWFJWPNJDKARC-UHFFFAOYSA-N 1 2 257.124 2.461 10 0 CEAELO O=C(C[N@H+]1CCCC[C@H]1CO)c1ccccc1Cl ZINC000049136207 526742688 /nfs/dbraw/zinc/74/26/88/526742688.db2.gz KPGYCVMLEGUKRX-NSHDSACASA-N 1 2 267.756 2.370 10 0 CEAELO O=C(C[N@@H+]1CCCC[C@H]1CO)c1ccccc1Cl ZINC000049136207 526742696 /nfs/dbraw/zinc/74/26/96/526742696.db2.gz KPGYCVMLEGUKRX-NSHDSACASA-N 1 2 267.756 2.370 10 0 CEAELO Cc1[nH]c(CNc2ccc(Cl)c(C(N)=O)c2)c[nH+]1 ZINC000054821918 526897904 /nfs/dbraw/zinc/89/79/04/526897904.db2.gz KVQQRILLONGCEC-UHFFFAOYSA-N 1 2 264.716 2.083 10 0 CEAELO Cc1[nH]cc(CNc2ccc(Cl)c(C(N)=O)c2)[nH+]1 ZINC000054821918 526897910 /nfs/dbraw/zinc/89/79/10/526897910.db2.gz KVQQRILLONGCEC-UHFFFAOYSA-N 1 2 264.716 2.083 10 0 CEAELO Cc1[nH]c(CNc2ccc3c(c2)NC(=O)[C@@H](C)O3)c[nH+]1 ZINC000054821793 526899468 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/nfs/dbraw/zinc/49/37/51/527493751.db2.gz GDDSMNAYQWOYED-UHFFFAOYSA-N 1 2 263.684 2.275 10 0 CEAELO Nc1ccc([NH2+]C[C@@H]2CCOC2)c(Br)c1 ZINC000061146647 527495030 /nfs/dbraw/zinc/49/50/30/527495030.db2.gz KGSOLEQGNCZVCY-QMMMGPOBSA-N 1 2 271.158 2.480 10 0 CEAELO Nc1nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000055185979 527546946 /nfs/dbraw/zinc/54/69/46/527546946.db2.gz AEGFHJONQARAEY-UHFFFAOYSA-N 1 2 285.332 2.163 10 0 CEAELO Nc1[nH+]cccc1CN1c2ccccc2CCC1=O ZINC000052732400 527568181 /nfs/dbraw/zinc/56/81/81/527568181.db2.gz KCGXZWIEKNSUGC-UHFFFAOYSA-N 1 2 253.305 2.143 10 0 CEAELO Nc1[nH+]cccc1OCCCOCC(F)(F)F ZINC000049311950 527570415 /nfs/dbraw/zinc/57/04/15/527570415.db2.gz FRQCOURSIRGJFF-UHFFFAOYSA-N 1 2 250.220 2.012 10 0 CEAELO CCCN(CC)c1noc([C@@H]([NH3+])c2ccccc2)n1 ZINC000757126970 574826267 /nfs/dbraw/zinc/82/62/67/574826267.db2.gz WZGMSNWIEVMRHM-LBPRGKRZSA-N 1 2 260.341 2.354 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(C(=O)c2ccoc2)C1 ZINC000888103394 628871398 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/nfs/dbraw/zinc/55/40/00/344554000.db2.gz JJIMCCMNVMXVKK-UHFFFAOYSA-N 1 2 253.103 2.179 10 0 CEAELO CN(Cc1cccnc1)c1cc(N[C@@H]2CCCOC2)[nH+]cn1 ZINC000328653860 344757831 /nfs/dbraw/zinc/75/78/31/344757831.db2.gz XASKFDCKXYEURO-CQSZACIVSA-N 1 2 299.378 2.099 10 0 CEAELO CN(Cc1cccnc1)c1cc(N[C@@H]2CCCOC2)nc[nH+]1 ZINC000328653860 344757835 /nfs/dbraw/zinc/75/78/35/344757835.db2.gz XASKFDCKXYEURO-CQSZACIVSA-N 1 2 299.378 2.099 10 0 CEAELO Cn1cnnc1[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC000328630750 344756399 /nfs/dbraw/zinc/75/63/99/344756399.db2.gz JRRODBDJOOTAFV-HNNXBMFYSA-N 1 2 298.346 2.135 10 0 CEAELO Cn1cnnc1[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC000328630750 344756403 /nfs/dbraw/zinc/75/64/03/344756403.db2.gz JRRODBDJOOTAFV-HNNXBMFYSA-N 1 2 298.346 2.135 10 0 CEAELO CNc1c(N)c[nH+]c2c(Br)cc(F)cc12 ZINC000584882508 344996608 /nfs/dbraw/zinc/99/66/08/344996608.db2.gz IWIFFWZRIVVHQV-UHFFFAOYSA-N 1 2 270.105 2.182 10 0 CEAELO Cc1csc([C@H]2C[N@H+](CC3=CCCOC3)CCO2)n1 ZINC000092790257 232182945 /nfs/dbraw/zinc/18/29/45/232182945.db2.gz OTXIPSNYERUAHX-CYBMUJFWSA-N 1 2 280.393 2.172 10 0 CEAELO Cc1csc([C@H]2C[N@@H+](CC3=CCCOC3)CCO2)n1 ZINC000092790257 232182947 /nfs/dbraw/zinc/18/29/47/232182947.db2.gz OTXIPSNYERUAHX-CYBMUJFWSA-N 1 2 280.393 2.172 10 0 CEAELO COc1ccc([C@@H](C)[NH2+]Cc2nnc(C)o2)cc1OC ZINC000180879278 232399041 /nfs/dbraw/zinc/39/90/41/232399041.db2.gz LPUGWQPLKAAXNC-SECBINFHSA-N 1 2 277.324 2.246 10 0 CEAELO CCOc1cc(N2CCO[C@@H](CC)C2)ccc1[NH3+] ZINC000111049516 136531710 /nfs/dbraw/zinc/53/17/10/136531710.db2.gz ATOPNEYKXMKBSM-LBPRGKRZSA-N 1 2 250.342 2.283 10 0 CEAELO CCOC(=O)[C@@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000085707426 179122593 /nfs/dbraw/zinc/12/25/93/179122593.db2.gz OQBNCFTYSVCIGL-JTQLQIEISA-N 1 2 272.142 2.320 10 0 CEAELO [NH3+][C@@]1(c2nc(C34CC5CC(CC(C5)C3)C4)no2)CCOC1 ZINC000085852146 179188613 /nfs/dbraw/zinc/18/86/13/179188613.db2.gz MRBUDISQUDZFRX-JHDFDTNZSA-N 1 2 289.379 2.112 10 0 CEAELO COc1cc([NH2+]C[C@@H]2CCCC[C@@H]2O)ccc1N ZINC000085966560 179206094 /nfs/dbraw/zinc/20/60/94/179206094.db2.gz OQTKQFWDBVKRME-GWCFXTLKSA-N 1 2 250.342 2.240 10 0 CEAELO CC[N@H+](Cc1ccco1)Cc1c[nH]c(=NN)s1 ZINC000086767704 179326156 /nfs/dbraw/zinc/32/61/56/179326156.db2.gz XAXKLJTUUCLFCS-UHFFFAOYSA-N 1 2 252.343 2.044 10 0 CEAELO CC[N@@H+](Cc1ccco1)Cc1c[nH]c(=NN)s1 ZINC000086767704 179326159 /nfs/dbraw/zinc/32/61/59/179326159.db2.gz XAXKLJTUUCLFCS-UHFFFAOYSA-N 1 2 252.343 2.044 10 0 CEAELO Cc1cc([NH2+][C@@H]2CCCOCC2)ccc1NS(C)(=O)=O ZINC000086872846 179364633 /nfs/dbraw/zinc/36/46/33/179364633.db2.gz IQJWBIFAQAWUIX-GFCCVEGCSA-N 1 2 298.408 2.348 10 0 CEAELO COCC[NH2+][C@]1(C(=O)OC)CCC[C@H](C(C)C)CC1 ZINC000086950128 179368961 /nfs/dbraw/zinc/36/89/61/179368961.db2.gz SEZUWYJDGXNYBX-DZGCQCFKSA-N 1 2 271.401 2.371 10 0 CEAELO C[C@@H]1c2cccn2CC[N@H+]1Cc1cnn2cccnc12 ZINC000067740536 362921704 /nfs/dbraw/zinc/92/17/04/362921704.db2.gz RRKWSJPWXSEPPR-GFCCVEGCSA-N 1 2 267.336 2.108 10 0 CEAELO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cnn2cccnc12 ZINC000067740536 362921709 /nfs/dbraw/zinc/92/17/09/362921709.db2.gz RRKWSJPWXSEPPR-GFCCVEGCSA-N 1 2 267.336 2.108 10 0 CEAELO COC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000616633099 348541850 /nfs/dbraw/zinc/54/18/50/348541850.db2.gz IMLZEZFYDLHVNF-LLVKDONJSA-N 1 2 254.717 2.053 10 0 CEAELO CC(=O)N1C[C@@H](c2ccc[nH+]c2N)Nc2ccccc21 ZINC000616583726 348526097 /nfs/dbraw/zinc/52/60/97/348526097.db2.gz LKXWKMJUGCKWQE-ZDUSSCGKSA-N 1 2 268.320 2.184 10 0 CEAELO CC(C)(C)OC(=O)N1CCOC[C@H](c2ccc[nH+]c2N)C1 ZINC000616662677 348553944 /nfs/dbraw/zinc/55/39/44/348553944.db2.gz JWVFTYHXHGZAGB-LLVKDONJSA-N 1 2 293.367 2.015 10 0 CEAELO CCOC(=O)c1ccccc1[C@H]1C[N@H+](CC)CCO1 ZINC000616678359 348558349 /nfs/dbraw/zinc/55/83/49/348558349.db2.gz ZKUSTUQEBFMIKW-CQSZACIVSA-N 1 2 263.337 2.257 10 0 CEAELO CCOC(=O)c1ccccc1[C@H]1C[N@@H+](CC)CCO1 ZINC000616678359 348558351 /nfs/dbraw/zinc/55/83/51/348558351.db2.gz ZKUSTUQEBFMIKW-CQSZACIVSA-N 1 2 263.337 2.257 10 0 CEAELO COC(=O)N1C[C@@H](c2ccc[nH+]c2N)Nc2ccccc21 ZINC000616687061 348560887 /nfs/dbraw/zinc/56/08/87/348560887.db2.gz WJLHXXAIGGESQE-LBPRGKRZSA-N 1 2 284.319 2.403 10 0 CEAELO CCn1c[nH+]cc1CNc1ccc(NC(C)=O)cc1 ZINC000090169648 179924798 /nfs/dbraw/zinc/92/47/98/179924798.db2.gz KXCPGGDDFXJVPC-UHFFFAOYSA-N 1 2 258.325 2.474 10 0 CEAELO CCCn1c[nH+]cc1CN1c2ccc(C)cc2C(=O)C1=O ZINC000090236315 179937520 /nfs/dbraw/zinc/93/75/20/179937520.db2.gz CDALCWZYFARZCV-UHFFFAOYSA-N 1 2 283.331 2.331 10 0 CEAELO COC(=O)c1cc(NCc2nc(C)cs2)cc[nH+]1 ZINC000090737411 180034465 /nfs/dbraw/zinc/03/44/65/180034465.db2.gz DPDVMFCFYYNQTP-UHFFFAOYSA-N 1 2 263.322 2.245 10 0 CEAELO CCOC(=O)C[N@H+](CC)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900789 180058543 /nfs/dbraw/zinc/05/85/43/180058543.db2.gz KQVNTWUSLXXIKU-AWEZNQCLSA-N 1 2 277.364 2.184 10 0 CEAELO CCOC(=O)C[N@@H+](CC)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900789 180058545 /nfs/dbraw/zinc/05/85/45/180058545.db2.gz KQVNTWUSLXXIKU-AWEZNQCLSA-N 1 2 277.364 2.184 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1NCc1ccn(C)c1 ZINC000091007546 180085326 /nfs/dbraw/zinc/08/53/26/180085326.db2.gz QBVLWFBEUWFHQV-UHFFFAOYSA-N 1 2 260.341 2.107 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)S[C@@H](C)CCO)C(=O)OCC ZINC000091267326 180117045 /nfs/dbraw/zinc/11/70/45/180117045.db2.gz QRWHATZLPWAPMK-OUCADQQQSA-N 1 2 291.457 2.200 10 0 CEAELO O[C@H](c1c[nH+]cn1C1CC1)[C@H]1Cc2ccccc2N1 ZINC000091277334 180120418 /nfs/dbraw/zinc/12/04/18/180120418.db2.gz GOTKKUWMPKSVKI-HIFRSBDPSA-N 1 2 255.321 2.288 10 0 CEAELO CC(C)(C(=O)Cc1ccc2c(c1)CCC2)[NH+]1CCOCC1 ZINC000091565570 180193131 /nfs/dbraw/zinc/19/31/31/180193131.db2.gz GAHXDBNFCMWPKO-UHFFFAOYSA-N 1 2 287.403 2.398 10 0 CEAELO COc1ccc(Cl)cc1[C@@H](O)C(C)(C)[NH+]1CCOCC1 ZINC000091565814 180193634 /nfs/dbraw/zinc/19/36/34/180193634.db2.gz UZKCMHWHBAQLPW-CQSZACIVSA-N 1 2 299.798 2.493 10 0 CEAELO CC[C@](C)(C(=O)CCCS(C)(=O)=O)[NH+]1CCCCC1 ZINC000091608034 180204096 /nfs/dbraw/zinc/20/40/96/180204096.db2.gz UZLLGZFIDROTBE-CQSZACIVSA-N 1 2 289.441 2.035 10 0 CEAELO CC[C@@](C)([C@H](O)c1cc(F)cc(F)c1)[NH+]1CCOCC1 ZINC000091611125 180206824 /nfs/dbraw/zinc/20/68/24/180206824.db2.gz MAAGCPIYUJPQOM-CABCVRRESA-N 1 2 285.334 2.499 10 0 CEAELO Cc1c(Cl)cccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105280959 186049498 /nfs/dbraw/zinc/04/94/98/186049498.db2.gz XYWMVCVSQIXOOY-LLVKDONJSA-N 1 2 297.786 2.101 10 0 CEAELO Cc1c(Cl)cccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105280959 186049500 /nfs/dbraw/zinc/04/95/00/186049500.db2.gz XYWMVCVSQIXOOY-LLVKDONJSA-N 1 2 297.786 2.101 10 0 CEAELO C[NH+](C)Cc1noc(-c2ccc3c(c2)CCCN3)n1 ZINC000091685466 180225816 /nfs/dbraw/zinc/22/58/16/180225816.db2.gz NGGUICKDIYYANH-UHFFFAOYSA-N 1 2 258.325 2.156 10 0 CEAELO O=C1CCCc2sc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722411 180239910 /nfs/dbraw/zinc/23/99/10/180239910.db2.gz NCLURNZGRWQFKU-MWLCHTKSSA-N 1 2 278.377 2.198 10 0 CEAELO O=C1CCCc2sc([C@H]3C[N@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722411 180239913 /nfs/dbraw/zinc/23/99/13/180239913.db2.gz 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COCCCNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000105785425 364701246 /nfs/dbraw/zinc/70/12/46/364701246.db2.gz WAJZPFYXTWOSKK-LBPRGKRZSA-N 1 2 264.373 2.161 10 0 CEAELO COCCCNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000105785425 364701253 /nfs/dbraw/zinc/70/12/53/364701253.db2.gz WAJZPFYXTWOSKK-LBPRGKRZSA-N 1 2 264.373 2.161 10 0 CEAELO C[C@@H]1C[C@@H](CC(=O)NC[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC000245403934 370814363 /nfs/dbraw/zinc/81/43/63/370814363.db2.gz NKZSBVFDZHOVCV-ILXRZTDVSA-N 1 2 296.455 2.286 10 0 CEAELO C[C@@H]1C[C@@H](CC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC000245403934 370814370 /nfs/dbraw/zinc/81/43/70/370814370.db2.gz NKZSBVFDZHOVCV-ILXRZTDVSA-N 1 2 296.455 2.286 10 0 CEAELO Cn1nccc1CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275460637 193047210 /nfs/dbraw/zinc/04/72/10/193047210.db2.gz HCTIPHUGPBNWBQ-HNNXBMFYSA-N 1 2 285.395 2.359 10 0 CEAELO CCOCCN1CC[N@H+](Cc2ccc(CC)o2)C[C@H]1C ZINC000120881887 365488890 /nfs/dbraw/zinc/48/88/90/365488890.db2.gz UBUDLXHLRKFDNA-CQSZACIVSA-N 1 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299.418 2.110 10 0 CEAELO Cn1nccc1C1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000195502195 395467113 /nfs/dbraw/zinc/46/71/13/395467113.db2.gz ZCRPUHZAOPKZHG-UHFFFAOYSA-N 1 2 295.337 2.391 10 0 CEAELO Cn1c[nH+]cc1CCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000188522143 153058897 /nfs/dbraw/zinc/05/88/97/153058897.db2.gz FBFZWUNECZJRBA-UHFFFAOYSA-N 1 2 287.407 2.294 10 0 CEAELO Cc1ccc(OCC[N@@H+](C)Cc2nnnn2C(C)C)cc1 ZINC000195038831 153270769 /nfs/dbraw/zinc/27/07/69/153270769.db2.gz RVLXWEKIXPYGDL-UHFFFAOYSA-N 1 2 289.383 2.073 10 0 CEAELO Cc1ccc(OCC[N@H+](C)Cc2nnnn2C(C)C)cc1 ZINC000195038831 153270772 /nfs/dbraw/zinc/27/07/72/153270772.db2.gz RVLXWEKIXPYGDL-UHFFFAOYSA-N 1 2 289.383 2.073 10 0 CEAELO CCn1c(C)nnc1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000195029563 153271097 /nfs/dbraw/zinc/27/10/97/153271097.db2.gz QSPRVHHJNAHKSA-AWEZNQCLSA-N 1 2 273.384 2.282 10 0 CEAELO CCn1c(C)nnc1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000195029563 153271103 /nfs/dbraw/zinc/27/11/03/153271103.db2.gz QSPRVHHJNAHKSA-AWEZNQCLSA-N 1 2 273.384 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/nfs/dbraw/zinc/09/20/64/165092064.db2.gz ZRWKNQYVYAPFFU-UKRRQHHQSA-N 1 2 299.374 2.476 10 0 CEAELO Cc1ccc(S(=O)(=O)Cc2[nH+]ccn2C(C)C)nc1 ZINC000176944793 165182858 /nfs/dbraw/zinc/18/28/58/165182858.db2.gz OUEBVTKWVIGJIG-UHFFFAOYSA-N 1 2 279.365 2.141 10 0 CEAELO C[C@H](C(=O)Nc1ccc(Cl)cc1N)[NH+]1CCSCC1 ZINC000020256923 171112003 /nfs/dbraw/zinc/11/20/03/171112003.db2.gz FHZLGMWVYPHUGF-SECBINFHSA-N 1 2 299.827 2.298 10 0 CEAELO Cc1c(N)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022152925 171359896 /nfs/dbraw/zinc/35/98/96/171359896.db2.gz JOILNCORTJAJJN-LOWVWBTDSA-N 1 2 291.395 2.013 10 0 CEAELO Cc1c(N)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022152925 171359898 /nfs/dbraw/zinc/35/98/98/171359898.db2.gz JOILNCORTJAJJN-LOWVWBTDSA-N 1 2 291.395 2.013 10 0 CEAELO C[C@H]([NH2+]Cc1cc(C(N)=O)ccc1F)c1ccccn1 ZINC000035694788 172363860 /nfs/dbraw/zinc/36/38/60/172363860.db2.gz DEPCGOJZVZHIBL-JTQLQIEISA-N 1 2 273.311 2.170 10 0 CEAELO Nc1ccc(SC[C@@H]2COC3(CCCC3)O2)c[nH+]1 ZINC000037192003 173021232 /nfs/dbraw/zinc/02/12/32/173021232.db2.gz MUPNNJPCDDNORP-JTQLQIEISA-N 1 2 266.366 2.442 10 0 CEAELO CC1CC[NH+](CC(=O)c2cc(F)ccc2O)CC1 ZINC000037332141 173133302 /nfs/dbraw/zinc/13/33/02/173133302.db2.gz RDNKYLVBWQNZJJ-UHFFFAOYSA-N 1 2 251.301 2.446 10 0 CEAELO CCCCOC(=O)C[NH2+]CCc1ccc(OC)cc1 ZINC000037394065 173174280 /nfs/dbraw/zinc/17/42/80/173174280.db2.gz DTGPDWGGKDHANB-UHFFFAOYSA-N 1 2 265.353 2.171 10 0 CEAELO COc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C)no1)CCO2 ZINC000038034005 174032034 /nfs/dbraw/zinc/03/20/34/174032034.db2.gz GQQIXPXWSVDPLD-GFCCVEGCSA-N 1 2 275.308 2.000 10 0 CEAELO Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(=O)[O-])CC2)o1 ZINC000038042715 174046275 /nfs/dbraw/zinc/04/62/75/174046275.db2.gz SWDXQXBCAIFBDK-HNNXBMFYSA-N 1 2 292.379 2.101 10 0 CEAELO Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(=O)[O-])CC2)o1 ZINC000038042715 174046276 /nfs/dbraw/zinc/04/62/76/174046276.db2.gz SWDXQXBCAIFBDK-HNNXBMFYSA-N 1 2 292.379 2.101 10 0 CEAELO CCOc1cccc(C[NH2+][C@@H](C(=O)OC)C(C)C)c1 ZINC000040219126 174206773 /nfs/dbraw/zinc/20/67/73/174206773.db2.gz GPJUBUIIPRVQHF-CQSZACIVSA-N 1 2 265.353 2.373 10 0 CEAELO CCCc1[nH+]c2ccccc2n1CC(=O)NCCCOC ZINC000040295716 174223611 /nfs/dbraw/zinc/22/36/11/174223611.db2.gz YEHIGOAJWRMUEQ-UHFFFAOYSA-N 1 2 289.379 2.142 10 0 CEAELO Nc1c(Nc2ccccc2F)ncnc1-n1cc[nH+]c1 ZINC000040759368 174396649 /nfs/dbraw/zinc/39/66/49/174396649.db2.gz BNTPOOCBQSKAHI-UHFFFAOYSA-N 1 2 270.271 2.127 10 0 CEAELO CN(c1ccccc1)c1ncnc(-n2cc[nH+]c2)c1N ZINC000040757960 174396943 /nfs/dbraw/zinc/39/69/43/174396943.db2.gz CNDODTJZNJLAFF-UHFFFAOYSA-N 1 2 266.308 2.012 10 0 CEAELO CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(Cl)c1 ZINC000041531575 174565152 /nfs/dbraw/zinc/56/51/52/174565152.db2.gz BHELIRWEWRUBIB-LBPRGKRZSA-N 1 2 263.728 2.299 10 0 CEAELO COCc1nc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cs1 ZINC000657522256 414986444 /nfs/dbraw/zinc/98/64/44/414986444.db2.gz AEOMDRJKBAKKMS-GFCCVEGCSA-N 1 2 283.441 2.252 10 0 CEAELO CC[C@@H](C)NC(=O)CCn1c(N)[nH+]c2c1cccc2F ZINC000045005599 175288396 /nfs/dbraw/zinc/28/83/96/175288396.db2.gz MLEAUQXPEVFDDU-SECBINFHSA-N 1 2 278.331 2.062 10 0 CEAELO C[C@H](CNc1cc(C(=O)[O-])cc[nH+]1)[NH+]1CCCCC1 ZINC000045010986 175290041 /nfs/dbraw/zinc/29/00/41/175290041.db2.gz YBSQNQNYNZZFQI-LLVKDONJSA-N 1 2 263.341 2.066 10 0 CEAELO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)c2nncn2C)c1C ZINC000045170564 175320320 /nfs/dbraw/zinc/32/03/20/175320320.db2.gz VRNZKCWANSKIJE-MWLCHTKSSA-N 1 2 276.388 2.060 10 0 CEAELO CCn1nc(C)c([C@@H](C)[NH2+]Cc2nc(C)no2)c1C ZINC000045171913 175320869 /nfs/dbraw/zinc/32/08/69/175320869.db2.gz WYSMUBDTSCWHDN-MRVPVSSYSA-N 1 2 263.345 2.062 10 0 CEAELO CCOC(=O)[C@@](C)(Cc1ccc(OC)cc1)[NH2+]C1CC1 ZINC000071169729 176050651 /nfs/dbraw/zinc/05/06/51/176050651.db2.gz ISIHMYSXVNCDEG-MRXNPFEDSA-N 1 2 277.364 2.312 10 0 CEAELO Cc1n[nH]c(SCc2ccc(F)cc2C[NH3+])n1 ZINC000071264538 176098021 /nfs/dbraw/zinc/09/80/21/176098021.db2.gz XGGPDUCIQSTXEG-UHFFFAOYSA-N 1 2 252.318 2.003 10 0 CEAELO CCCCC(=O)NCCc1cn2cc(C)ccc2[nH+]1 ZINC000071490493 176190225 /nfs/dbraw/zinc/19/02/25/176190225.db2.gz XHDATHWMOCCHNI-UHFFFAOYSA-N 1 2 259.353 2.492 10 0 CEAELO O=C(NCCc1cn2cc(C(F)(F)F)ccc2[nH+]1)C1CC1 ZINC000071491373 176190470 /nfs/dbraw/zinc/19/04/70/176190470.db2.gz ANCYDHQMTJPIND-UHFFFAOYSA-N 1 2 297.280 2.422 10 0 CEAELO Cc1ccc2[nH+]c(CCNC(=O)C3CCC3)cn2c1 ZINC000071490719 176190705 /nfs/dbraw/zinc/19/07/05/176190705.db2.gz MSUICYMNNJAWDZ-UHFFFAOYSA-N 1 2 257.337 2.102 10 0 CEAELO Cc1nc2sccn2c1C[NH2+]Cc1cscn1 ZINC000077403579 177263470 /nfs/dbraw/zinc/26/34/70/177263470.db2.gz FWRUIFRMOHTQTB-UHFFFAOYSA-N 1 2 264.379 2.451 10 0 CEAELO CSC[C@H](O)C[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000187910528 270256089 /nfs/dbraw/zinc/25/60/89/270256089.db2.gz FOFUMBCLIRADMQ-LLVKDONJSA-N 1 2 299.440 2.276 10 0 CEAELO C[C@@H]1NC(=O)CC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000334274396 278046888 /nfs/dbraw/zinc/04/68/88/278046888.db2.gz BJHNXXVWRUHKGB-IONNQARKSA-N 1 2 273.258 2.179 10 0 CEAELO COc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2C)cc1Cl ZINC000189079297 280142517 /nfs/dbraw/zinc/14/25/17/280142517.db2.gz DDXBVQRZASYPBV-SNVBAGLBSA-N 1 2 282.771 2.059 10 0 CEAELO COc1ccc(C[N@H+]2CCCNC(=O)[C@H]2C)cc1Cl ZINC000189079297 280142520 /nfs/dbraw/zinc/14/25/20/280142520.db2.gz DDXBVQRZASYPBV-SNVBAGLBSA-N 1 2 282.771 2.059 10 0 CEAELO CC(C)c1nc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)cs1 ZINC000109329809 280662726 /nfs/dbraw/zinc/66/27/26/280662726.db2.gz NZJXLGIXQQATLO-JTQLQIEISA-N 1 2 269.414 2.256 10 0 CEAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@H](C)C(=O)NC(C)(C)C ZINC000176892235 280780049 /nfs/dbraw/zinc/78/00/49/280780049.db2.gz WGYOWBDQGSFIGH-BIBXISHDSA-N 1 2 299.440 2.016 10 0 CEAELO CC(C)[NH2+][C@@](C[NH+]1CCCCCC1)(C(=O)[O-])C1CC1 ZINC000069095140 519737293 /nfs/dbraw/zinc/73/72/93/519737293.db2.gz NLHBLYQHNGRAKD-OAHLLOKOSA-N 1 2 268.401 2.094 10 0 CEAELO CC[NH2+][C@@](C)(CCOc1cccc(F)c1F)C(=O)OC ZINC000062653329 520134988 /nfs/dbraw/zinc/13/49/88/520134988.db2.gz XHIBXQBKVIUQHN-AWEZNQCLSA-N 1 2 287.306 2.275 10 0 CEAELO CCCc1[nH+]c(-c2cc(F)c(F)c(F)c2)c(N)n1N ZINC000062707130 521463775 /nfs/dbraw/zinc/46/37/75/521463775.db2.gz GVJYNYPMUXLLHK-UHFFFAOYSA-N 1 2 270.258 2.216 10 0 CEAELO CC(C)[NH2+][C@@](C[N@H+](C)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069097440 519736977 /nfs/dbraw/zinc/73/69/77/519736977.db2.gz IEMVCANUGISBPB-OAHLLOKOSA-N 1 2 268.401 2.092 10 0 CEAELO CC(C)[NH2+][C@@](C[N@@H+](C)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069097440 519736979 /nfs/dbraw/zinc/73/69/79/519736979.db2.gz IEMVCANUGISBPB-OAHLLOKOSA-N 1 2 268.401 2.092 10 0 CEAELO CC(C)[NH2+][C@](C[N@H+](C)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069097434 519740279 /nfs/dbraw/zinc/74/02/79/519740279.db2.gz IEMVCANUGISBPB-HNNXBMFYSA-N 1 2 268.401 2.092 10 0 CEAELO CC(C)[NH2+][C@](C[N@@H+](C)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000069097434 519740281 /nfs/dbraw/zinc/74/02/81/519740281.db2.gz IEMVCANUGISBPB-HNNXBMFYSA-N 1 2 268.401 2.092 10 0 CEAELO CC(C)[NH2+][C@](C[N@H+](C)CC1CCCC1)(C(=O)[O-])C1CC1 ZINC000069233265 519740555 /nfs/dbraw/zinc/74/05/55/519740555.db2.gz FDIYLHKUARSWMU-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CC(C)[NH2+][C@](C[N@@H+](C)CC1CCCC1)(C(=O)[O-])C1CC1 ZINC000069233265 519740557 /nfs/dbraw/zinc/74/05/57/519740557.db2.gz FDIYLHKUARSWMU-INIZCTEOSA-N 1 2 282.428 2.340 10 0 CEAELO CCCC1=NN(c2ccc(F)cc2)C(=O)[C@H]1CC[NH3+] ZINC000069506137 519894586 /nfs/dbraw/zinc/89/45/86/519894586.db2.gz XLJDRPGOPUOSGQ-LBPRGKRZSA-N 1 2 263.316 2.293 10 0 CEAELO CCC[NH2+][C@@](C)(Cn1nc(C)c(C)c1C)C(=O)OCC ZINC000045458752 520047843 /nfs/dbraw/zinc/04/78/43/520047843.db2.gz ALCFKELPQBWCQI-HNNXBMFYSA-N 1 2 281.400 2.130 10 0 CEAELO CCC[NH2+][C@@](CN(C)c1ccccc1)(C(=O)OC)C1CC1 ZINC000069094198 520050408 /nfs/dbraw/zinc/05/04/08/520050408.db2.gz KIVHEAUJJWBRFR-QGZVFWFLSA-N 1 2 290.407 2.444 10 0 CEAELO CC[NH2+][C@@H](CCn1c[nH+]c2cc(C)c(C)cc21)C(=O)[O-] ZINC000062534594 520098541 /nfs/dbraw/zinc/09/85/41/520098541.db2.gz JGHUQNCZNNTIAG-LBPRGKRZSA-N 1 2 275.352 2.106 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)Sc1ncc(C)cn1)C(=O)OC ZINC000068640007 520142999 /nfs/dbraw/zinc/14/29/99/520142999.db2.gz UWXVGHHIBQAQTE-RISCZKNCSA-N 1 2 297.424 2.197 10 0 CEAELO CC[NH2+][C@@](COC(C)(C)CC)(C(=O)OC)C1CC1 ZINC000069195828 520153893 /nfs/dbraw/zinc/15/38/93/520153893.db2.gz NBWGKNYFZVBIRD-CQSZACIVSA-N 1 2 257.374 2.123 10 0 CEAELO CC[NH2+][C@@](CSCCCOC)(C(=O)OCC)C1CC1 ZINC000069191501 520157928 /nfs/dbraw/zinc/15/79/28/520157928.db2.gz RIJVKPURXQUNAX-CQSZACIVSA-N 1 2 289.441 2.078 10 0 CEAELO CC[NH2+][C@H](CCn1c(C)nc2ccccc21)C(=O)OCC ZINC000062534709 520197516 /nfs/dbraw/zinc/19/75/16/520197516.db2.gz FYAYOULYDGECPQ-CQSZACIVSA-N 1 2 289.379 2.276 10 0 CEAELO CC[NH2+][C@](COC(C)(C)CC)(C(=O)OC)C1CC1 ZINC000069195829 520249280 /nfs/dbraw/zinc/24/92/80/520249280.db2.gz NBWGKNYFZVBIRD-AWEZNQCLSA-N 1 2 257.374 2.123 10 0 CEAELO CCNc1[nH+]cccc1CSCCC(=O)OC ZINC000052756395 520378387 /nfs/dbraw/zinc/37/83/87/520378387.db2.gz WVPUOMJUZKPMDS-UHFFFAOYSA-N 1 2 254.355 2.310 10 0 CEAELO CCNc1nc(C[N@@H+]2CCC[C@@H]2CO)nc2sccc21 ZINC000050816576 520356351 /nfs/dbraw/zinc/35/63/51/520356351.db2.gz ZBGHWSWHXNBMGM-SNVBAGLBSA-N 1 2 292.408 2.080 10 0 CEAELO CCNc1nc(C[N@H+]2CCC[C@@H]2CO)nc2sccc21 ZINC000050816576 520356358 /nfs/dbraw/zinc/35/63/58/520356358.db2.gz ZBGHWSWHXNBMGM-SNVBAGLBSA-N 1 2 292.408 2.080 10 0 CEAELO CCNc1[nH+]cccc1Cn1cnc2ccccc2c1=O ZINC000052733154 520378660 /nfs/dbraw/zinc/37/86/60/520378660.db2.gz WDFSTAQSFSSCNY-UHFFFAOYSA-N 1 2 280.331 2.272 10 0 CEAELO CCNc1snnc1C[N@H+](CCOC)[C@@H](C)CC ZINC000050816994 520385989 /nfs/dbraw/zinc/38/59/89/520385989.db2.gz IHFVNFWNJYUIPI-JTQLQIEISA-N 1 2 272.418 2.217 10 0 CEAELO CCNc1snnc1C[N@@H+](CCOC)[C@@H](C)CC ZINC000050816994 520385992 /nfs/dbraw/zinc/38/59/92/520385992.db2.gz IHFVNFWNJYUIPI-JTQLQIEISA-N 1 2 272.418 2.217 10 0 CEAELO CCCOc1ccc(OCC[C@@H]([NH2+]C)C(=O)OCC)cc1 ZINC000062594377 520408816 /nfs/dbraw/zinc/40/88/16/520408816.db2.gz LHMLWRQGQUYREN-OAHLLOKOSA-N 1 2 295.379 2.395 10 0 CEAELO CCO[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCOCC2 ZINC000184102785 520552318 /nfs/dbraw/zinc/55/23/18/520552318.db2.gz UNNLPVHATHUKLI-OLZOCXBDSA-N 1 2 277.368 2.171 10 0 CEAELO CCOC(=O)[C@@H](CCN(C)c1ccccc1)[NH2+]C(C)C ZINC000062440636 521057703 /nfs/dbraw/zinc/05/77/03/521057703.db2.gz ZJWOWZFHFWLLPR-OAHLLOKOSA-N 1 2 278.396 2.443 10 0 CEAELO CCOC(=O)[C@H](CCN(C)c1ccccc1)[NH2+]C(C)C ZINC000062440638 521242594 /nfs/dbraw/zinc/24/25/94/521242594.db2.gz ZJWOWZFHFWLLPR-HNNXBMFYSA-N 1 2 278.396 2.443 10 0 CEAELO CCOC(=O)[C@H](CCN1CCc2ccccc21)[NH2+]C(C)C ZINC000062439220 521245405 /nfs/dbraw/zinc/24/54/05/521245405.db2.gz JATLHMSFFZSTKU-HNNXBMFYSA-N 1 2 290.407 2.369 10 0 CEAELO CCOC(=O)[C@](C)(C[C@H](C)Oc1ccc(OC)cc1)[NH2+]C ZINC000068656813 521323667 /nfs/dbraw/zinc/32/36/67/521323667.db2.gz YGLROIXQEHEYCU-LRDDRELGSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@](COc1ccc(F)cc1)([NH2+]C)C1CC1 ZINC000069197530 521342375 /nfs/dbraw/zinc/34/23/75/521342375.db2.gz RURBVSXLBCGQJH-OAHLLOKOSA-N 1 2 281.327 2.136 10 0 CEAELO CCOC(=O)[C@](COCC1CC1)([NH2+]C(C)C)C1CC1 ZINC000069196690 521342630 /nfs/dbraw/zinc/34/26/30/521342630.db2.gz HOAAEODUVLYVGF-OAHLLOKOSA-N 1 2 269.385 2.123 10 0 CEAELO CCOC(=O)[C@](COc1cc(F)ccc1F)([NH2+]C)C1CC1 ZINC000069198671 521342952 /nfs/dbraw/zinc/34/29/52/521342952.db2.gz BGERHNWDQTVLOP-OAHLLOKOSA-N 1 2 299.317 2.275 10 0 CEAELO CCOC(=O)[C@](Cn1cc(Cl)cn1)([NH2+]C1CC1)C1CC1 ZINC000069192594 521343480 /nfs/dbraw/zinc/34/34/80/521343480.db2.gz KLVJNHUAVRATLS-CQSZACIVSA-N 1 2 297.786 2.000 10 0 CEAELO CCC(C)(C)OC[C@@]([NH2+]C1CC1)(C(=O)OC)C1CC1 ZINC000069195856 521359372 /nfs/dbraw/zinc/35/93/72/521359372.db2.gz RSOFVMLCHKGBNP-HNNXBMFYSA-N 1 2 269.385 2.265 10 0 CEAELO CCN(c1nc(Cl)nc(-n2cc[nH+]c2)n1)C1CCCC1 ZINC000061537666 521505931 /nfs/dbraw/zinc/50/59/31/521505931.db2.gz DPJNMUGEYCLGPL-UHFFFAOYSA-N 1 2 292.774 2.480 10 0 CEAELO CC[NH+]1CCN(C[C@@H]2C[C@H](C(C)C)CCC2=O)CC1 ZINC000054558836 521686206 /nfs/dbraw/zinc/68/62/06/521686206.db2.gz IZRAYLCUOFDCSZ-CABCVRRESA-N 1 2 266.429 2.265 10 0 CEAELO CCS(=O)(=O)c1ccc(NCc2c[nH+]c(C)[nH]2)cc1 ZINC000054821826 521689405 /nfs/dbraw/zinc/68/94/05/521689405.db2.gz AKABWJGSGXTQRD-UHFFFAOYSA-N 1 2 279.365 2.124 10 0 CEAELO CCS(=O)(=O)c1ccc(NCc2c[nH]c(C)[nH+]2)cc1 ZINC000054821826 521689408 /nfs/dbraw/zinc/68/94/08/521689408.db2.gz AKABWJGSGXTQRD-UHFFFAOYSA-N 1 2 279.365 2.124 10 0 CEAELO CCc1ccccc1OC[C@]([NH2+]C)(C(=O)OC)C1CC1 ZINC000069198000 521921718 /nfs/dbraw/zinc/92/17/18/521921718.db2.gz VIOLFFMSVSWDEN-MRXNPFEDSA-N 1 2 277.364 2.169 10 0 CEAELO CC[C@H](C)[C@H]([NH2+]Cc1cc(C)n(C)c1C)C(=O)OC ZINC000052790143 521979055 /nfs/dbraw/zinc/97/90/55/521979055.db2.gz ZNECKQYMXPPFRM-HZMBPMFUSA-N 1 2 266.385 2.319 10 0 CEAELO CCc1[nH+]c(-c2ccc(OC(F)(F)F)cc2)c(N)n1N ZINC000052838709 522147806 /nfs/dbraw/zinc/14/78/06/522147806.db2.gz SIYZXFQIOABBNW-UHFFFAOYSA-N 1 2 286.257 2.307 10 0 CEAELO C[NH2+][C@@](C)(CCCn1cc[nH+]c1-c1ccccc1)C(=O)[O-] ZINC000045437722 522410969 /nfs/dbraw/zinc/41/09/69/522410969.db2.gz RDUXRPXTHRTKOI-INIZCTEOSA-N 1 2 287.363 2.393 10 0 CEAELO C[NH2+][C@H](CCOc1ccc(C(C)C)cc1)C(=O)OC ZINC000062547916 522462466 /nfs/dbraw/zinc/46/24/66/522462466.db2.gz DWZRJWRGKJQMKA-CQSZACIVSA-N 1 2 265.353 2.340 10 0 CEAELO CCc1[nH+]c2ccccc2n1CC[C@@H]([NH2+]C(C)C)C(=O)[O-] ZINC000062808000 522500076 /nfs/dbraw/zinc/50/00/76/522500076.db2.gz WUTIMYXSMCBCCG-CYBMUJFWSA-N 1 2 289.379 2.440 10 0 CEAELO CCc1[nH+]c2ccccc2n1CCC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000062808032 522501195 /nfs/dbraw/zinc/50/11/95/522501195.db2.gz BQOSAFXSWBCZSC-MRXNPFEDSA-N 1 2 289.379 2.442 10 0 CEAELO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1C(N)=S ZINC000069402746 523344975 /nfs/dbraw/zinc/34/49/75/523344975.db2.gz MMEQOQSBYCFCJL-GWCFXTLKSA-N 1 2 296.411 2.459 10 0 CEAELO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(F)ccc1C(N)=S ZINC000069402746 523344982 /nfs/dbraw/zinc/34/49/82/523344982.db2.gz MMEQOQSBYCFCJL-GWCFXTLKSA-N 1 2 296.411 2.459 10 0 CEAELO COC(=O)[C@@H](CCN(CC(F)(F)F)C(C)C)[NH2+]C(C)C ZINC000062454947 523571079 /nfs/dbraw/zinc/57/10/79/523571079.db2.gz KXYWOCCBJGJJJC-LLVKDONJSA-N 1 2 298.349 2.189 10 0 CEAELO CCc1cc(N)nc(-c2ccc3c(c2)OCCCO3)[nH+]1 ZINC000050866932 523789492 /nfs/dbraw/zinc/78/94/92/523789492.db2.gz NZKWRNZLROJHNC-UHFFFAOYSA-N 1 2 271.320 2.450 10 0 CEAELO COC(=O)[C@@](C)(C[C@@H](C)Sc1cnccn1)[NH2+]C(C)C ZINC000068643140 523815537 /nfs/dbraw/zinc/81/55/37/523815537.db2.gz BYBUZGXZDWPYSF-BXUZGUMPSA-N 1 2 297.424 2.277 10 0 CEAELO COC(=O)[C@@](CN(C)c1ccccc1)([NH2+]C(C)C)C1CC1 ZINC000069094328 523823346 /nfs/dbraw/zinc/82/33/46/523823346.db2.gz SKXHGMRMUHMHRY-KRWDZBQOSA-N 1 2 290.407 2.443 10 0 CEAELO COC(=O)[C@H](CCO[C@@H]1CCCC[C@@H]1C)[NH2+]C1CC1 ZINC000062543839 523899719 /nfs/dbraw/zinc/89/97/19/523899719.db2.gz YBUYNKMJUKCIKG-FPMFFAJLSA-N 1 2 269.385 2.265 10 0 CEAELO CCc1ccc(N(C)C(=O)c2cccc(NN)[nH+]2)cc1 ZINC000051116948 523957953 /nfs/dbraw/zinc/95/79/53/523957953.db2.gz RGJAQYXTFJOPCR-UHFFFAOYSA-N 1 2 270.336 2.206 10 0 CEAELO COC(=O)[C@](C)(C[C@@H](C)Sc1ncccn1)[NH2+]C(C)C ZINC000068638216 524000115 /nfs/dbraw/zinc/00/01/15/524000115.db2.gz WSHJKQMUZKYLHN-RISCZKNCSA-N 1 2 297.424 2.277 10 0 CEAELO CN(C)C(=O)c1ccc(Cl)c(NCc2c[nH+]c[nH]2)c1 ZINC000054764862 524022418 /nfs/dbraw/zinc/02/24/18/524022418.db2.gz XUYKNLDXLWCKFT-UHFFFAOYSA-N 1 2 278.743 2.377 10 0 CEAELO CN(C)C(=O)c1ccc(Cl)c(NCc2c[nH]c[nH+]2)c1 ZINC000054764862 524022419 /nfs/dbraw/zinc/02/24/19/524022419.db2.gz XUYKNLDXLWCKFT-UHFFFAOYSA-N 1 2 278.743 2.377 10 0 CEAELO Cc1ccc(C)c(CC(=O)Nc2ccc(N)[nH+]c2)c1 ZINC000061680243 524095657 /nfs/dbraw/zinc/09/56/57/524095657.db2.gz MLJCKYAVRFVJQV-UHFFFAOYSA-N 1 2 255.321 2.462 10 0 CEAELO C[C@@H](CC[NH+](C)C)n1c(=O)c2ccsc2[nH]c1=S ZINC000049559346 524481178 /nfs/dbraw/zinc/48/11/78/524481178.db2.gz OEYBAIITDIPFHI-QMMMGPOBSA-N 1 2 283.422 2.259 10 0 CEAELO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc2c1NCCC2 ZINC000050957978 524963074 /nfs/dbraw/zinc/96/30/74/524963074.db2.gz IUHJGNVLFFJLRT-LBPRGKRZSA-N 1 2 284.363 2.060 10 0 CEAELO COc1ccc2cc(-c3[nH+]cn(N)c3N)ccc2c1 ZINC000052838189 525621031 /nfs/dbraw/zinc/62/10/31/525621031.db2.gz KGFLJSOHWMFTLU-UHFFFAOYSA-N 1 2 254.293 2.008 10 0 CEAELO Cc1occc1CN(C)c1cc[nH+]c(C(N)=S)c1 ZINC000061812780 526828135 /nfs/dbraw/zinc/82/81/35/526828135.db2.gz QQKGZSXPOJMQMF-UHFFFAOYSA-N 1 2 261.350 2.254 10 0 CEAELO Cc1[nH]c(CNc2ccc3c(c2)OCCCO3)c[nH+]1 ZINC000054797860 526899737 /nfs/dbraw/zinc/89/97/37/526899737.db2.gz BOTLONGMPIWDGU-UHFFFAOYSA-N 1 2 259.309 2.492 10 0 CEAELO Cc1[nH]cc(CNc2ccc3c(c2)OCCCO3)[nH+]1 ZINC000054797860 526899739 /nfs/dbraw/zinc/89/97/39/526899739.db2.gz BOTLONGMPIWDGU-UHFFFAOYSA-N 1 2 259.309 2.492 10 0 CEAELO Clc1nc(OC2CCCC2)nc(-n2cc[nH+]c2)n1 ZINC000061519459 527006133 /nfs/dbraw/zinc/00/61/33/527006133.db2.gz GBSHTEZPKKHNRE-UHFFFAOYSA-N 1 2 265.704 2.032 10 0 CEAELO NC(=S)c1ccc[nH+]c1NCCc1ccsc1 ZINC000049186057 527121985 /nfs/dbraw/zinc/12/19/85/527121985.db2.gz OYAIKHVDEIWJBN-UHFFFAOYSA-N 1 2 263.391 2.432 10 0 CEAELO O=Cc1sc(N2CCn3cc[nH+]c3C2)nc1C1CC1 ZINC000069181305 527155610 /nfs/dbraw/zinc/15/56/10/527155610.db2.gz IJBSTLFHSPDXIB-UHFFFAOYSA-N 1 2 274.349 2.050 10 0 CEAELO Nc1ccc(Cn2ccc(=O)c3ccccc32)c[nH+]1 ZINC000050830051 527486810 /nfs/dbraw/zinc/48/68/10/527486810.db2.gz YVGYCALQVLHCFJ-UHFFFAOYSA-N 1 2 251.289 2.027 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)c1ccc2ccccc2n1 ZINC000062725725 527536678 /nfs/dbraw/zinc/53/66/78/527536678.db2.gz PTVIPJVIYMLAIC-UHFFFAOYSA-N 1 2 264.288 2.464 10 0 CEAELO Nc1[nH+]cccc1CN1C(=O)CCc2ccc(F)cc21 ZINC000052732676 527568343 /nfs/dbraw/zinc/56/83/43/527568343.db2.gz LMRYTEROOUMBCT-UHFFFAOYSA-N 1 2 271.295 2.282 10 0 CEAELO Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1cc[nH]c1=S ZINC000176076217 623997656 /nfs/dbraw/zinc/99/76/56/623997656.db2.gz KJIHGBWZEUSBTE-LBPRGKRZSA-N 1 2 277.397 2.173 10 0 CEAELO Cc1[nH+]ccn1C[C@@H]1CCCN1Cn1cc[nH]c1=S ZINC000176076217 623997662 /nfs/dbraw/zinc/99/76/62/623997662.db2.gz KJIHGBWZEUSBTE-LBPRGKRZSA-N 1 2 277.397 2.173 10 0 CEAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccco1 ZINC000125311300 187178870 /nfs/dbraw/zinc/17/88/70/187178870.db2.gz NVGFHRXWDPATCI-GHMZBOCLSA-N 1 2 276.340 2.203 10 0 CEAELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccco1 ZINC000125311477 187178891 /nfs/dbraw/zinc/17/88/91/187178891.db2.gz NVGFHRXWDPATCI-QWRGUYRKSA-N 1 2 276.340 2.203 10 0 CEAELO Cc1[nH+]c2ccccn2c1CCC(=O)NCc1ccncc1 ZINC000096771798 185112406 /nfs/dbraw/zinc/11/24/06/185112406.db2.gz LXBRBLGZEXXZRI-UHFFFAOYSA-N 1 2 294.358 2.287 10 0 CEAELO Cc1noc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)n1 ZINC000037980900 361971051 /nfs/dbraw/zinc/97/10/51/361971051.db2.gz HEXWKNCHGGLYDR-VIFPVBQESA-N 1 2 275.308 2.000 10 0 CEAELO COC(=O)[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000126005738 187210399 /nfs/dbraw/zinc/21/03/99/187210399.db2.gz ODGDRTURFZLQLK-CPJBWDMUSA-N 1 2 252.141 2.190 10 0 CEAELO COC(=O)[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000126005738 187210400 /nfs/dbraw/zinc/21/04/00/187210400.db2.gz ODGDRTURFZLQLK-CPJBWDMUSA-N 1 2 252.141 2.190 10 0 CEAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccnc1 ZINC000126037152 187212798 /nfs/dbraw/zinc/21/27/98/187212798.db2.gz VVMRJPXKEKJHHP-WCQYABFASA-N 1 2 271.368 2.421 10 0 CEAELO Cc1nc([C@H]([NH3+])c2cc(Br)cs2)no1 ZINC000041678502 362046091 /nfs/dbraw/zinc/04/60/91/362046091.db2.gz OQILHQCKIJSJHT-SSDOTTSWSA-N 1 2 274.143 2.250 10 0 CEAELO Cc1nc([C@@H]([NH3+])c2ccc(F)c(Br)c2)no1 ZINC000036762249 343424491 /nfs/dbraw/zinc/42/44/91/343424491.db2.gz XGVLNMILKMBAIV-VIFPVBQESA-N 1 2 286.104 2.328 10 0 CEAELO COC(=O)c1csc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000602429498 347029572 /nfs/dbraw/zinc/02/95/72/347029572.db2.gz FWVJXISSVXDBST-UWVGGRQHSA-N 1 2 269.366 2.144 10 0 CEAELO Cn1c[nH+]cc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000097012899 344243047 /nfs/dbraw/zinc/24/30/47/344243047.db2.gz BCWCTSWEKDEMLK-SNVBAGLBSA-N 1 2 251.330 2.145 10 0 CEAELO COc1ccc[nH+]c1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128594871 344337475 /nfs/dbraw/zinc/33/74/75/344337475.db2.gz JCWHIBIRWURJFX-IUODEOHRSA-N 1 2 262.353 2.222 10 0 CEAELO C[C@H](CNC(=O)N[C@@H](C)CCC(C)(C)C)[NH+]1CCOCC1 ZINC000131425828 344357883 /nfs/dbraw/zinc/35/78/83/344357883.db2.gz LOMNRZOHQZGMOJ-UONOGXRCSA-N 1 2 299.459 2.221 10 0 CEAELO BrC(Br)=Cc1c[nH]c[nH+]1 ZINC000145530093 344409038 /nfs/dbraw/zinc/40/90/38/344409038.db2.gz BHUVCIWHASSMKB-UHFFFAOYSA-N 1 2 251.909 2.498 10 0 CEAELO Nc1ccc2cc(OCC[NH+]3CCOCC3)ccc2c1 ZINC000148990933 344414568 /nfs/dbraw/zinc/41/45/68/344414568.db2.gz RXQKVYKHBZSCGA-UHFFFAOYSA-N 1 2 272.348 2.133 10 0 CEAELO CCc1ccc(C[N@@H+]2CCO[C@@H](c3nncn3CC)C2)o1 ZINC000328622511 344755899 /nfs/dbraw/zinc/75/58/99/344755899.db2.gz BGQHAAFSQLSZQB-CQSZACIVSA-N 1 2 290.367 2.027 10 0 CEAELO CCc1ccc(C[N@H+]2CCO[C@@H](c3nncn3CC)C2)o1 ZINC000328622511 344755900 /nfs/dbraw/zinc/75/59/00/344755900.db2.gz BGQHAAFSQLSZQB-CQSZACIVSA-N 1 2 290.367 2.027 10 0 CEAELO O=C(Cc1cccc2[nH+]ccn21)Nc1nnc(C2CC2)s1 ZINC000584605156 344963654 /nfs/dbraw/zinc/96/36/54/344963654.db2.gz GMAAVBYGROOOMI-UHFFFAOYSA-N 1 2 299.359 2.244 10 0 CEAELO Cc1csc([C@H]2C[N@H+](Cc3cccn3C)CCO2)n1 ZINC000092790341 232182773 /nfs/dbraw/zinc/18/27/73/232182773.db2.gz XQXWFUYKDJMPIT-CYBMUJFWSA-N 1 2 277.393 2.364 10 0 CEAELO Cc1csc([C@H]2C[N@@H+](Cc3cccn3C)CCO2)n1 ZINC000092790341 232182774 /nfs/dbraw/zinc/18/27/74/232182774.db2.gz XQXWFUYKDJMPIT-CYBMUJFWSA-N 1 2 277.393 2.364 10 0 CEAELO C[NH2+][C@H](c1cnsn1)c1ccc(OC2CC2)cc1 ZINC000097454048 185609809 /nfs/dbraw/zinc/60/98/09/185609809.db2.gz XMVPUIOVQOVLEK-ZDUSSCGKSA-N 1 2 261.350 2.388 10 0 CEAELO CC(C)(c1ccccc1)[C@@H](NN)c1c[nH+]ccc1N ZINC000097523762 185622483 /nfs/dbraw/zinc/62/24/83/185622483.db2.gz RPIYFACAPFGDEL-AWEZNQCLSA-N 1 2 256.353 2.146 10 0 CEAELO C[C@@H]1C[S@@](=O)C[C@H](c2ccc(F)cc2Cl)[NH2+]1 ZINC000085311978 179014110 /nfs/dbraw/zinc/01/41/10/179014110.db2.gz FJAMHOOCGXYNTM-ISOUQZKMSA-N 1 2 261.749 2.261 10 0 CEAELO C[C@H](Oc1cccc(Cl)c1)[C@@H](NN)c1[nH+]ccn1C ZINC000097736657 185659316 /nfs/dbraw/zinc/65/93/16/185659316.db2.gz WRJAQJDVSZGKKW-JOYOIKCWSA-N 1 2 280.759 2.045 10 0 CEAELO CCc1nc(N)c(I)c(C(C)C)[nH+]1 ZINC000085461026 179068476 /nfs/dbraw/zinc/06/84/76/179068476.db2.gz FGXCLVPRDIIPTC-UHFFFAOYSA-N 1 2 291.136 2.349 10 0 CEAELO CNc1nc(N(C)C)[nH+]c(C2CC2)c1Br ZINC000085462812 179069180 /nfs/dbraw/zinc/06/91/80/179069180.db2.gz OZYLDWVIFACYEK-UHFFFAOYSA-N 1 2 271.162 2.224 10 0 CEAELO CCC(=O)[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085682167 179114191 /nfs/dbraw/zinc/11/41/91/179114191.db2.gz HXJGDZLMEMZKAN-AWEZNQCLSA-N 1 2 260.381 2.172 10 0 CEAELO CCC(=O)[C@H](C)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000085682167 179114196 /nfs/dbraw/zinc/11/41/96/179114196.db2.gz HXJGDZLMEMZKAN-AWEZNQCLSA-N 1 2 260.381 2.172 10 0 CEAELO [NH3+][C@@]1(c2nc([C@@H]3CCCc4ccccc43)no2)CCOC1 ZINC000085852470 179188753 /nfs/dbraw/zinc/18/87/53/179188753.db2.gz SBPDSFAPCWJKPK-CJNGLKHVSA-N 1 2 285.347 2.112 10 0 CEAELO [NH3+][C@]1(c2nc(C3(c4ccccc4)CCC3)no2)CCOC1 ZINC000085852328 179188875 /nfs/dbraw/zinc/18/88/75/179188875.db2.gz HDQTXTVOBCLXNQ-MRXNPFEDSA-N 1 2 285.347 2.114 10 0 CEAELO c1cn(-c2ccc(N[C@H]3CCCOCC3)cn2)c[nH+]1 ZINC000086871557 179364167 /nfs/dbraw/zinc/36/41/67/179364167.db2.gz CZYUWFCZIHNXPJ-LBPRGKRZSA-N 1 2 258.325 2.248 10 0 CEAELO CC[C@@H]1CCC[C@@]([NH2+]CCOC)(C(=O)OC)CC1 ZINC000086916447 179367618 /nfs/dbraw/zinc/36/76/18/179367618.db2.gz VTJMMRJETSRVBW-OCCSQVGLSA-N 1 2 257.374 2.125 10 0 CEAELO Cn1ccnc1[C@H]([NH2+]CC1(O)CCCCC1)c1ccco1 ZINC000087017397 179380931 /nfs/dbraw/zinc/38/09/31/179380931.db2.gz AKURVYCXFQTUIH-CQSZACIVSA-N 1 2 289.379 2.387 10 0 CEAELO COC(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000616671572 348555750 /nfs/dbraw/zinc/55/57/50/348555750.db2.gz OCECHYCHDPUJFD-LBPRGKRZSA-N 1 2 257.293 2.253 10 0 CEAELO CC(=O)N1C[C@H](c2ccc(N)[nH+]c2)Cc2ccccc21 ZINC000616672660 348556504 /nfs/dbraw/zinc/55/65/04/348556504.db2.gz IFROILSRYGRHDQ-CQSZACIVSA-N 1 2 267.332 2.187 10 0 CEAELO CCOC(=O)[C@H](CCO[C@H](C)C(F)(F)F)[NH2+]C1CC1 ZINC000090674183 180021443 /nfs/dbraw/zinc/02/14/43/180021443.db2.gz STWKMVRLBXATPM-SCZZXKLOSA-N 1 2 283.290 2.028 10 0 CEAELO CCOC(=O)[C@@](C)(CCO[C@H](C)C(F)(F)F)[NH2+]C1CC1 ZINC000090674134 180021499 /nfs/dbraw/zinc/02/14/99/180021499.db2.gz ZLSCDILJWUGPFW-BXKDBHETSA-N 1 2 297.317 2.418 10 0 CEAELO CCOC(=O)[C@@](C)(CO[C@H](C)C(F)(F)F)[NH2+]C(C)C ZINC000090674542 180021643 /nfs/dbraw/zinc/02/16/43/180021643.db2.gz AQKOYEHTJYCTHE-MWLCHTKSSA-N 1 2 285.306 2.274 10 0 CEAELO COC(=O)c1cc(NC[C@@]2(O)CCC[C@@H](C)C2)cc[nH+]1 ZINC000090738536 180034860 /nfs/dbraw/zinc/03/48/60/180034860.db2.gz GQZHKKWJTFTGQM-IAQYHMDHSA-N 1 2 278.352 2.221 10 0 CEAELO Nc1ccc(Cl)c(COc2ccc(NCCO)[nH+]c2)c1 ZINC000090741264 180035004 /nfs/dbraw/zinc/03/50/04/180035004.db2.gz VNJCTRYNBLYGDD-UHFFFAOYSA-N 1 2 293.754 2.300 10 0 CEAELO COC(=O)c1cc(N[C@@H](C)c2nccs2)cc[nH+]1 ZINC000090738374 180035202 /nfs/dbraw/zinc/03/52/02/180035202.db2.gz RQGSQOOQQOAGJV-QMMMGPOBSA-N 1 2 263.322 2.498 10 0 CEAELO COC(=O)C[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)C(C)C ZINC000090894721 180056357 /nfs/dbraw/zinc/05/63/57/180056357.db2.gz NCVXILTUHRYQAX-ZDUSSCGKSA-N 1 2 281.327 2.013 10 0 CEAELO COC(=O)C[N@@H+](C[C@@H]1Cc2cc(F)ccc2O1)C(C)C ZINC000090894721 180056358 /nfs/dbraw/zinc/05/63/58/180056358.db2.gz NCVXILTUHRYQAX-ZDUSSCGKSA-N 1 2 281.327 2.013 10 0 CEAELO COc1ccc([C@H](C)O)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906944 180060766 /nfs/dbraw/zinc/06/07/66/180060766.db2.gz RDPGOMOYOYFDGP-TUKIKUTGSA-N 1 2 277.364 2.112 10 0 CEAELO COc1ccc([C@H](C)O)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906944 180060767 /nfs/dbraw/zinc/06/07/67/180060767.db2.gz RDPGOMOYOYFDGP-TUKIKUTGSA-N 1 2 277.364 2.112 10 0 CEAELO O=c1nc(C[NH2+]C[C@H]2Cc3ccccc32)[nH]c2ccsc21 ZINC000090992589 180081998 /nfs/dbraw/zinc/08/19/98/180081998.db2.gz PTIPBTTXDDTOCT-LLVKDONJSA-N 1 2 297.383 2.414 10 0 CEAELO CCOC(=O)[C@](C)(CCSC[C@H](C)CO)[NH2+]C(C)C ZINC000091259053 180115489 /nfs/dbraw/zinc/11/54/89/180115489.db2.gz GVUKNZJCELIZHV-OCCSQVGLSA-N 1 2 291.457 2.058 10 0 CEAELO CC(C)n1c[nH+]cc1[C@H]([NH2+]C1CCCC1)C(=O)[O-] ZINC000091272805 180117712 /nfs/dbraw/zinc/11/77/12/180117712.db2.gz QXKQKWRDUPEHEB-LBPRGKRZSA-N 1 2 251.330 2.122 10 0 CEAELO CC(C)n1c[nH+]cc1[C@H](Nc1ccccc1F)C(N)=O ZINC000091272597 180118116 /nfs/dbraw/zinc/11/81/16/180118116.db2.gz YQODQRFZESGKKE-ZDUSSCGKSA-N 1 2 276.315 2.242 10 0 CEAELO CCOC(=O)[C@@H](N[C@@H](C)CC)c1c[nH+]cn1C(C)C ZINC000091272864 180118261 /nfs/dbraw/zinc/11/82/61/180118261.db2.gz KPNBWTHETDGUQL-AAEUAGOBSA-N 1 2 267.373 2.456 10 0 CEAELO CN(CC1CC(O)C1)c1ccc2[nH+]cccc2c1N ZINC000091462341 180162076 /nfs/dbraw/zinc/16/20/76/180162076.db2.gz HJGPXKUUIVIPKQ-UHFFFAOYSA-N 1 2 257.337 2.024 10 0 CEAELO CC(C)([C@H](O)Cc1ccccc1Cl)[NH+]1CCOCC1 ZINC000091565778 180193638 /nfs/dbraw/zinc/19/36/38/180193638.db2.gz MENYMSCZDSWEMU-CQSZACIVSA-N 1 2 283.799 2.354 10 0 CEAELO CC(C)([C@@H](O)c1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC000091566025 180194281 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371600599 /nfs/dbraw/zinc/60/05/99/371600599.db2.gz AGVQTYQRNJFSNX-GFCCVEGCSA-N 1 2 287.338 2.388 10 0 CEAELO CCOC(=O)[C@@H]([NH3+])c1cccc(Br)c1OC ZINC000261286869 371636851 /nfs/dbraw/zinc/63/68/51/371636851.db2.gz YBQOKTYJMXCHTL-VIFPVBQESA-N 1 2 288.141 2.021 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2ccncc2Cl)C1 ZINC000643855448 373287715 /nfs/dbraw/zinc/28/77/15/373287715.db2.gz AEPNOFXNNDJNDY-YPMHNXCESA-N 1 2 292.770 2.420 10 0 CEAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)c2ccoc2Cl)C1 ZINC000644121541 373419014 /nfs/dbraw/zinc/41/90/14/373419014.db2.gz PWBUOTDECGNASR-SCZZXKLOSA-N 1 2 295.726 2.258 10 0 CEAELO CCc1nnc(C[NH2+][C@H](C)c2cc(F)ccc2F)[nH]1 ZINC000274585574 373974218 /nfs/dbraw/zinc/97/42/18/373974218.db2.gz INGRIDSTFIIKIL-MRVPVSSYSA-N 1 2 266.295 2.496 10 0 CEAELO N[NH+]=Cc1cc(Br)cc(Br)c1N ZINC000393323651 375323672 /nfs/dbraw/zinc/32/36/72/375323672.db2.gz SWGVBLSNGMBXGI-UHFFFAOYSA-N 1 2 292.962 2.086 10 0 CEAELO Cc1cnn(CCCNc2cc[nH+]c(C3CC3)n2)c1 ZINC000301220926 379223112 /nfs/dbraw/zinc/22/31/12/379223112.db2.gz AAIUWKXCIULFIV-UHFFFAOYSA-N 1 2 257.341 2.361 10 0 CEAELO CCC[C@@H]1C[C@H]1Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000267600907 190340160 /nfs/dbraw/zinc/34/01/60/190340160.db2.gz FMJBTDYOPDABQS-FRRDWIJNSA-N 1 2 276.384 2.038 10 0 CEAELO CCC[C@@H]1C[C@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000267600907 190340161 /nfs/dbraw/zinc/34/01/61/190340161.db2.gz FMJBTDYOPDABQS-FRRDWIJNSA-N 1 2 276.384 2.038 10 0 CEAELO CCCCc1nc(C[NH2+][C@@H](C)[C@@H]2CCCO2)no1 ZINC000183108066 542287098 /nfs/dbraw/zinc/28/70/98/542287098.db2.gz BTZKLZQJVWCZMO-QWRGUYRKSA-N 1 2 253.346 2.069 10 0 CEAELO CNc1nc(NCCCSC)[nH+]cc1Br ZINC000132826881 533084050 /nfs/dbraw/zinc/08/40/50/533084050.db2.gz QPJMYSRYDWIVPC-UHFFFAOYSA-N 1 2 291.218 2.446 10 0 CEAELO CC(C)n1c[nH+]cc1[C@H](O)[C@H]1CCOC2(CCOCC2)C1 ZINC000094389820 184792711 /nfs/dbraw/zinc/79/27/11/184792711.db2.gz FONORRBVGNGEJU-DZGCQCFKSA-N 1 2 294.395 2.473 10 0 CEAELO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000264007773 131378414 /nfs/dbraw/zinc/37/84/14/131378414.db2.gz DUFUUFZPDHRPOH-CYBMUJFWSA-N 1 2 293.802 2.453 10 0 CEAELO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000264007773 131378415 /nfs/dbraw/zinc/37/84/15/131378415.db2.gz DUFUUFZPDHRPOH-CYBMUJFWSA-N 1 2 293.802 2.453 10 0 CEAELO C[N@@H+]1CCO[C@@H](CNCc2c(Cl)cccc2Cl)C1 ZINC000105472273 394722072 /nfs/dbraw/zinc/72/20/72/394722072.db2.gz SLORSEIUEZQHGI-JTQLQIEISA-N 1 2 289.206 2.414 10 0 CEAELO C[N@H+]1CCO[C@@H](CNCc2c(Cl)cccc2Cl)C1 ZINC000105472273 394722073 /nfs/dbraw/zinc/72/20/73/394722073.db2.gz SLORSEIUEZQHGI-JTQLQIEISA-N 1 2 289.206 2.414 10 0 CEAELO C[N@@H+]1CCC[C@H](c2nnc(Br)s2)C1 ZINC000575453006 395664424 /nfs/dbraw/zinc/66/44/24/395664424.db2.gz DJQCCHFXFOFBFS-LURJTMIESA-N 1 2 262.176 2.110 10 0 CEAELO C[N@H+]1CCC[C@H](c2nnc(Br)s2)C1 ZINC000575453006 395664425 /nfs/dbraw/zinc/66/44/25/395664425.db2.gz DJQCCHFXFOFBFS-LURJTMIESA-N 1 2 262.176 2.110 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000154575072 289149764 /nfs/dbraw/zinc/14/97/64/289149764.db2.gz ONPMYYYLSZRATH-STQMWFEESA-N 1 2 298.427 2.097 10 0 CEAELO CCn1cc([C@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)cn1 ZINC000190766093 153142898 /nfs/dbraw/zinc/14/28/98/153142898.db2.gz CSDZTVANMSISFI-LSDHHAIUSA-N 1 2 261.369 2.385 10 0 CEAELO CCn1cc([C@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)cn1 ZINC000190766093 153142900 /nfs/dbraw/zinc/14/29/00/153142900.db2.gz CSDZTVANMSISFI-LSDHHAIUSA-N 1 2 261.369 2.385 10 0 CEAELO CCn1cc([C@@H]2C[N@H+](Cc3cccnc3C)CCO2)cn1 ZINC000191716344 153185375 /nfs/dbraw/zinc/18/53/75/153185375.db2.gz LLNSHFZMZSWZOP-INIZCTEOSA-N 1 2 286.379 2.180 10 0 CEAELO CCn1cc([C@@H]2C[N@@H+](Cc3cccnc3C)CCO2)cn1 ZINC000191716344 153185383 /nfs/dbraw/zinc/18/53/83/153185383.db2.gz LLNSHFZMZSWZOP-INIZCTEOSA-N 1 2 286.379 2.180 10 0 CEAELO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230643436 153395297 /nfs/dbraw/zinc/39/52/97/153395297.db2.gz KEBQOEACKQOJLO-NEPJUHHUSA-N 1 2 267.373 2.329 10 0 CEAELO CCS[C@H]1CCCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263211746 154034779 /nfs/dbraw/zinc/03/47/79/154034779.db2.gz KIKBRMGCESJMKZ-QWRGUYRKSA-N 1 2 292.395 2.118 10 0 CEAELO CC(C)(C)c1cnc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)s1 ZINC000263245677 154040500 /nfs/dbraw/zinc/04/05/00/154040500.db2.gz PEWPOYUEPJMOEQ-ZETCQYMHSA-N 1 2 289.351 2.376 10 0 CEAELO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263236955 154042219 /nfs/dbraw/zinc/04/22/19/154042219.db2.gz OEFKXPFBGWAHLQ-MCIONIFRSA-N 1 2 294.345 2.436 10 0 CEAELO CCOCC[NH2+]C1(c2noc(CC)n2)CCCC1 ZINC000173698737 165079499 /nfs/dbraw/zinc/07/94/99/165079499.db2.gz SGPNIOPGQSAGLV-UHFFFAOYSA-N 1 2 253.346 2.027 10 0 CEAELO C[C@H](NC(=O)c1cnccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173948264 165090029 /nfs/dbraw/zinc/09/00/29/165090029.db2.gz VJXFZTIQRVFDCV-LBPRGKRZSA-N 1 2 293.330 2.153 10 0 CEAELO Cc1nnc([C@@H]2C[N@H+](Cc3ccc(F)c(C)c3)CCO2)[nH]1 ZINC000180110494 165295265 /nfs/dbraw/zinc/29/52/65/165295265.db2.gz UVURTIOQAVVHFA-AWEZNQCLSA-N 1 2 290.342 2.134 10 0 CEAELO Cc1nnc([C@@H]2C[N@@H+](Cc3ccc(F)c(C)c3)CCO2)[nH]1 ZINC000180110494 165295267 /nfs/dbraw/zinc/29/52/67/165295267.db2.gz UVURTIOQAVVHFA-AWEZNQCLSA-N 1 2 290.342 2.134 10 0 CEAELO Nc1[nH+]cccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000020483686 171223590 /nfs/dbraw/zinc/22/35/90/171223590.db2.gz RRSFUEAZKPBSKL-UHFFFAOYSA-N 1 2 277.711 2.335 10 0 CEAELO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)C(=O)N(C)C ZINC000035138974 172006890 /nfs/dbraw/zinc/00/68/90/172006890.db2.gz RPRWRJDBFQCTCY-BBRMVZONSA-N 1 2 283.375 2.237 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(O)cc1 ZINC000036980245 172846872 /nfs/dbraw/zinc/84/68/72/172846872.db2.gz LPJCGLBEYZITMG-ZDUSSCGKSA-N 1 2 251.326 2.070 10 0 CEAELO O=C(Cc1[nH]cc[nH+]1)c1ccccc1OC(F)F ZINC000037365805 173154391 /nfs/dbraw/zinc/15/43/91/173154391.db2.gz SPYMVYSISROWPJ-UHFFFAOYSA-N 1 2 252.220 2.437 10 0 CEAELO COc1ccc(CC[NH2+]CC(=O)OC(C)(C)C)cc1 ZINC000037394064 173174593 /nfs/dbraw/zinc/17/45/93/173174593.db2.gz GWHMAZZXIWRICN-UHFFFAOYSA-N 1 2 265.353 2.169 10 0 CEAELO CCC[NH2+][C@](C)(C(=O)OCC)c1ccc(O)cc1 ZINC000037513567 173244752 /nfs/dbraw/zinc/24/47/52/173244752.db2.gz KONRMKSYFUCBEF-AWEZNQCLSA-N 1 2 251.326 2.170 10 0 CEAELO CCOC(=O)[C@@](C)([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000037514773 173246554 /nfs/dbraw/zinc/24/65/54/173246554.db2.gz NFBDYRWRQGLQRP-NSHDSACASA-N 1 2 261.243 2.442 10 0 CEAELO Nc1cc(F)c(N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000038039833 174039890 /nfs/dbraw/zinc/03/98/90/174039890.db2.gz OFMWMEOBALRBEV-UHFFFAOYSA-N 1 2 290.317 2.269 10 0 CEAELO Nc1[nH+]cnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040723914 174385861 /nfs/dbraw/zinc/38/58/61/174385861.db2.gz YFJDOKBVHSTADQ-UHFFFAOYSA-N 1 2 269.230 2.403 10 0 CEAELO Nc1nc[nH+]c(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040723914 174385863 /nfs/dbraw/zinc/38/58/63/174385863.db2.gz YFJDOKBVHSTADQ-UHFFFAOYSA-N 1 2 269.230 2.403 10 0 CEAELO CCc1cc(-n2cc[nH+]c2-c2ccc(N)cc2)ncn1 ZINC000040765385 174397481 /nfs/dbraw/zinc/39/74/81/174397481.db2.gz QIZPHRRYQSZHNG-UHFFFAOYSA-N 1 2 265.320 2.474 10 0 CEAELO Cc1ccc(C(N)=S)c(N[C@@H](C)[C@@H]2CCCO2)[nH+]1 ZINC000043396664 175035929 /nfs/dbraw/zinc/03/59/29/175035929.db2.gz OZVLFUVAMPISLS-ONGXEEELSA-N 1 2 265.382 2.004 10 0 CEAELO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000043637878 175083697 /nfs/dbraw/zinc/08/36/97/175083697.db2.gz GFOSXSGGGWWWRI-QWHCGFSZSA-N 1 2 265.353 2.304 10 0 CEAELO COCC[C@@H](C)[NH2+]c1ccc(OCC(=O)OC)cc1 ZINC000045019906 175291860 /nfs/dbraw/zinc/29/18/60/175291860.db2.gz KLBSDFQFINIPBM-LLVKDONJSA-N 1 2 267.325 2.075 10 0 CEAELO CCC[NH2+][C@@](C)(CN1CCc2ccccc21)C(=O)OCC ZINC000045224255 175332155 /nfs/dbraw/zinc/33/21/55/175332155.db2.gz MMKVZZDGRDJNRN-KRWDZBQOSA-N 1 2 290.407 2.371 10 0 CEAELO CCCN(CC(F)(F)F)C[C@](C)([NH2+]CC)C(=O)OCC ZINC000045274354 175345027 /nfs/dbraw/zinc/34/50/27/175345027.db2.gz HMWDHLPAVPOJRZ-LBPRGKRZSA-N 1 2 298.349 2.192 10 0 CEAELO CCC[NH2+][C@](C)(C[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280662 175351135 /nfs/dbraw/zinc/35/11/35/175351135.db2.gz LOLWSMRJAXKEIS-CQSZACIVSA-N 1 2 258.406 2.196 10 0 CEAELO CCC[NH2+][C@](C)(C[N@@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280662 175351137 /nfs/dbraw/zinc/35/11/37/175351137.db2.gz LOLWSMRJAXKEIS-CQSZACIVSA-N 1 2 258.406 2.196 10 0 CEAELO CCOC(=O)[C@@H](CN(CC(F)(F)F)C(C)C)[NH2+]C(C)C ZINC000045420471 175378707 /nfs/dbraw/zinc/37/87/07/175378707.db2.gz GNXBCSCHRAOKTO-LLVKDONJSA-N 1 2 298.349 2.189 10 0 CEAELO C[C@H](CNC(=O)C[C@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC000046269547 175395189 /nfs/dbraw/zinc/39/51/89/175395189.db2.gz FQAZRPXMZGOISS-LSDHHAIUSA-N 1 2 290.407 2.017 10 0 CEAELO O=[S@]1CC[NH2+][C@H](c2cc(Cl)ccc2Cl)C1 ZINC000070674639 176000510 /nfs/dbraw/zinc/00/05/10/176000510.db2.gz RDTVKOQRKJTGCO-ZUZCIYMTSA-N 1 2 264.177 2.386 10 0 CEAELO Cc1c[nH+]ccc1NS(=O)(=O)c1cnccc1Cl ZINC000071204829 176079212 /nfs/dbraw/zinc/07/92/12/176079212.db2.gz BNICHJZSOCSYJM-UHFFFAOYSA-N 1 2 283.740 2.239 10 0 CEAELO CC(C)=CC(=O)NCCc1cn2cc(C)ccc2[nH+]1 ZINC000071490770 176190726 /nfs/dbraw/zinc/19/07/26/176190726.db2.gz QEHOVRDWNFHZBI-UHFFFAOYSA-N 1 2 257.337 2.268 10 0 CEAELO C[NH2+]CC(=O)OCCc1ccc2c(c1)CCCS2 ZINC000076372724 177008879 /nfs/dbraw/zinc/00/88/79/177008879.db2.gz HUYWYMSGRJCOFW-UHFFFAOYSA-N 1 2 265.378 2.030 10 0 CEAELO C[C@@H]1COC[C@H](C)N1Cc1[nH+]ccn1CC(F)(F)F ZINC000077369199 177259423 /nfs/dbraw/zinc/25/94/23/177259423.db2.gz CLRXMNOIEQHFAS-AOOOYVTPSA-N 1 2 277.290 2.055 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccncc1 ZINC000078612650 177360347 /nfs/dbraw/zinc/36/03/47/177360347.db2.gz UKYADYLLIRZRHR-LLVKDONJSA-N 1 2 250.342 2.244 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccncc1 ZINC000078612650 177360349 /nfs/dbraw/zinc/36/03/49/177360349.db2.gz UKYADYLLIRZRHR-LLVKDONJSA-N 1 2 250.342 2.244 10 0 CEAELO C[C@H]1Oc2c(cccc2C(=O)NCCc2c[nH+]c[nH]2)[C@@H]1C ZINC000078742454 177380532 /nfs/dbraw/zinc/38/05/32/177380532.db2.gz XDRWBRFFGRJSGN-GHMZBOCLSA-N 1 2 285.347 2.267 10 0 CEAELO C[C@H]1Oc2c(cccc2C(=O)NCCc2c[nH]c[nH+]2)[C@@H]1C ZINC000078742454 177380533 /nfs/dbraw/zinc/38/05/33/177380533.db2.gz XDRWBRFFGRJSGN-GHMZBOCLSA-N 1 2 285.347 2.267 10 0 CEAELO Cc1cccc(-c2nc(C[N@@H+](C)CC(C)(C)O)no2)c1 ZINC000078778896 177387103 /nfs/dbraw/zinc/38/71/03/177387103.db2.gz SDPWCKCHQIUTQN-UHFFFAOYSA-N 1 2 275.352 2.248 10 0 CEAELO Cc1cccc(-c2nc(C[N@H+](C)CC(C)(C)O)no2)c1 ZINC000078778896 177387104 /nfs/dbraw/zinc/38/71/04/177387104.db2.gz SDPWCKCHQIUTQN-UHFFFAOYSA-N 1 2 275.352 2.248 10 0 CEAELO COC(OC)[C@@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000079614166 177525372 /nfs/dbraw/zinc/52/53/72/177525372.db2.gz PMCLRKUVJNIGCH-LLVKDONJSA-N 1 2 252.358 2.480 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)CCc1ccc(C)cc1 ZINC000131928744 279968039 /nfs/dbraw/zinc/96/80/39/279968039.db2.gz USHQQHXIWHODEB-UHFFFAOYSA-N 1 2 292.404 2.369 10 0 CEAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000154575072 289149763 /nfs/dbraw/zinc/14/97/63/289149763.db2.gz ONPMYYYLSZRATH-STQMWFEESA-N 1 2 298.427 2.097 10 0 CEAELO CCc1nnc(C[NH2+][C@H](C)c2c(F)cccc2OC)n1C ZINC000179891150 312757415 /nfs/dbraw/zinc/75/74/15/312757415.db2.gz ZSKDJMWKFPVEGE-SNVBAGLBSA-N 1 2 292.358 2.376 10 0 CEAELO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc([NH3+])c(C(=O)[O-])c1 ZINC000049561990 519775976 /nfs/dbraw/zinc/77/59/76/519775976.db2.gz OYMSMMKLQGOQCI-LBPRGKRZSA-N 1 2 279.384 2.355 10 0 CEAELO CC(=O)c1sc(N2CC[NH+](C(C)C)CC2)nc1C ZINC000054862195 518496553 /nfs/dbraw/zinc/49/65/53/518496553.db2.gz IDERYMOEYOPEJK-UHFFFAOYSA-N 1 2 267.398 2.185 10 0 CEAELO CC(=O)Nc1ccc(F)c(NCc2c[nH+]c(C)[nH]2)c1 ZINC000054821659 519720735 /nfs/dbraw/zinc/72/07/35/519720735.db2.gz ASYRPOAKLNKBDV-UHFFFAOYSA-N 1 2 262.288 2.428 10 0 CEAELO CC(=O)Nc1ccc(F)c(NCc2c[nH]c(C)[nH+]2)c1 ZINC000054821659 519720736 /nfs/dbraw/zinc/72/07/36/519720736.db2.gz ASYRPOAKLNKBDV-UHFFFAOYSA-N 1 2 262.288 2.428 10 0 CEAELO CC(C)[NH2+][C@](C[NH+]1CCCCCCC1)(C(=O)[O-])C1CC1 ZINC000069090902 519740469 /nfs/dbraw/zinc/74/04/69/519740469.db2.gz ZCPPDAHCSWJJBX-INIZCTEOSA-N 1 2 282.428 2.484 10 0 CEAELO CC(C)c1[nH+]c(-c2cnn(-c3ccccc3)c2)c(N)n1N ZINC000052839988 519858066 /nfs/dbraw/zinc/85/80/66/519858066.db2.gz CCLHWRICEIFSEV-UHFFFAOYSA-N 1 2 282.351 2.155 10 0 CEAELO CCC[NH2+][C@H](CCN(C)c1cccc(OC)c1)C(=O)OC ZINC000062528442 520072392 /nfs/dbraw/zinc/07/23/92/520072392.db2.gz STKZFJNCKKWPNS-OAHLLOKOSA-N 1 2 294.395 2.063 10 0 CEAELO CCC[NH2+][C@H](c1nccn1CCC)c1cnccn1 ZINC000069497771 520092671 /nfs/dbraw/zinc/09/26/71/520092671.db2.gz DMNPEZSRKZBQSD-ZDUSSCGKSA-N 1 2 259.357 2.172 10 0 CEAELO CCC[NH2+][C@](C[NH+]1CCCCCCC1)(C(=O)[O-])C1CC1 ZINC000069090891 520121581 /nfs/dbraw/zinc/12/15/81/520121581.db2.gz KHYSSQDPSBMADX-INIZCTEOSA-N 1 2 282.428 2.486 10 0 CEAELO CCC[NH2+][C@](Cn1cc(Cl)cn1)(C(=O)OCC)C1CC1 ZINC000069192599 520125817 /nfs/dbraw/zinc/12/58/17/520125817.db2.gz LJEOWNHMOYELKO-AWEZNQCLSA-N 1 2 299.802 2.248 10 0 CEAELO 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CEAELO CC[NH2+][C@H](CCn1c[nH+]c2cc(C)c(C)cc21)C(=O)[O-] ZINC000062534597 520197090 /nfs/dbraw/zinc/19/70/90/520197090.db2.gz JGHUQNCZNNTIAG-GFCCVEGCSA-N 1 2 275.352 2.106 10 0 CEAELO CCCNc1[nH+]cnc2c1cnn2[C@@H]1CCCC[C@@H]1O ZINC000062367152 520200690 /nfs/dbraw/zinc/20/06/90/520200690.db2.gz XGFNDSJSOUQBEH-NEPJUHHUSA-N 1 2 275.356 2.124 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)Sc1ncccn1)C(=O)OCC ZINC000068638234 520243021 /nfs/dbraw/zinc/24/30/21/520243021.db2.gz UYBHZZSYXHFBLA-SMDDNHRTSA-N 1 2 297.424 2.279 10 0 CEAELO CC[NH2+][C@](COc1cccc(F)c1F)(C(=O)OC)C1CC1 ZINC000069198621 520250566 /nfs/dbraw/zinc/25/05/66/520250566.db2.gz DJNAWLTYOBBRJV-HNNXBMFYSA-N 1 2 299.317 2.275 10 0 CEAELO CCNc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OCC)ccn1 ZINC000052723822 520272660 /nfs/dbraw/zinc/27/26/60/520272660.db2.gz GWQXFGPHVZICFF-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO CCNc1cc(C[N@H+]2CCC[C@@H]2C(=O)OCC)ccn1 ZINC000052723822 520272666 /nfs/dbraw/zinc/27/26/66/520272666.db2.gz GWQXFGPHVZICFF-CYBMUJFWSA-N 1 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265.353 2.373 10 0 CEAELO CCC[C@H](C)[N@H+](C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069100226 521036551 /nfs/dbraw/zinc/03/65/51/521036551.db2.gz MCQMIICIHCNRFV-SWLSCSKDSA-N 1 2 270.417 2.338 10 0 CEAELO CCC[C@H](C)[N@@H+](C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069100226 521036562 /nfs/dbraw/zinc/03/65/62/521036562.db2.gz MCQMIICIHCNRFV-SWLSCSKDSA-N 1 2 270.417 2.338 10 0 CEAELO CCOC(=O)[C@@H](CCSc1nc2ccccc2[nH]1)[NH2+]C ZINC000062598979 521062080 /nfs/dbraw/zinc/06/20/80/521062080.db2.gz TUKZTRXMZIUYSU-GFCCVEGCSA-N 1 2 293.392 2.196 10 0 CEAELO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(NC)nc1 ZINC000050814289 521099643 /nfs/dbraw/zinc/09/96/43/521099643.db2.gz BUDDAWKPSUYDRL-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(NC)nc1 ZINC000050814289 521099647 /nfs/dbraw/zinc/09/96/47/521099647.db2.gz BUDDAWKPSUYDRL-ZDUSSCGKSA-N 1 2 277.368 2.041 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@@H](C)Oc1cccc(OC)c1)[NH2+]C ZINC000068655564 521149071 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CEAELO CCNc1nc(NC2CCC(C)CC2)nc(N(C)C)[nH+]1 ZINC000097030853 185154763 /nfs/dbraw/zinc/15/47/63/185154763.db2.gz GQYLAKHKXSJLFS-UHFFFAOYSA-N 1 2 278.404 2.360 10 0 CEAELO CCNc1nc(NC2CCC(C)CC2)[nH+]c(N(C)C)n1 ZINC000097030853 185154764 /nfs/dbraw/zinc/15/47/64/185154764.db2.gz GQYLAKHKXSJLFS-UHFFFAOYSA-N 1 2 278.404 2.360 10 0 CEAELO CCc1nnc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)n1C ZINC000177379667 539028920 /nfs/dbraw/zinc/02/89/20/539028920.db2.gz UXHRECNQCYXYAO-CYBMUJFWSA-N 1 2 280.416 2.015 10 0 CEAELO CCc1nnc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)n1C ZINC000177379667 539028921 /nfs/dbraw/zinc/02/89/21/539028921.db2.gz UXHRECNQCYXYAO-CYBMUJFWSA-N 1 2 280.416 2.015 10 0 CEAELO CCc1nnc([C@H]2C[N@H+](Cc3sccc3C)CCO2)[nH]1 ZINC000129098387 529701745 /nfs/dbraw/zinc/70/17/45/529701745.db2.gz JXYHULDOISVFLM-LLVKDONJSA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nnc([C@H]2C[N@@H+](Cc3sccc3C)CCO2)[nH]1 ZINC000129098387 529701746 /nfs/dbraw/zinc/70/17/46/529701746.db2.gz JXYHULDOISVFLM-LLVKDONJSA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nc([C@H]2C[N@H+](Cc3sccc3C)CCO2)n[nH]1 ZINC000129098387 529701747 /nfs/dbraw/zinc/70/17/47/529701747.db2.gz JXYHULDOISVFLM-LLVKDONJSA-N 1 2 292.408 2.311 10 0 CEAELO CCc1nc([C@H]2C[N@@H+](Cc3sccc3C)CCO2)n[nH]1 ZINC000129098387 529701749 /nfs/dbraw/zinc/70/17/49/529701749.db2.gz JXYHULDOISVFLM-LLVKDONJSA-N 1 2 292.408 2.311 10 0 CEAELO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC000029402512 343400121 /nfs/dbraw/zinc/40/01/21/343400121.db2.gz OOAXGBONCNGXAB-CHWSQXEVSA-N 1 2 285.347 2.122 10 0 CEAELO CCOC(=O)C[NH2+]C[C@@H](C)Nc1cccc(Cl)c1 ZINC000039001602 343434990 /nfs/dbraw/zinc/43/49/90/343434990.db2.gz QTOQUHAOWODUDL-SNVBAGLBSA-N 1 2 270.760 2.293 10 0 CEAELO CCc1nn(C)cc1CNc1nc(N)c2ccccc2[nH+]1 ZINC000092959575 344207887 /nfs/dbraw/zinc/20/78/87/344207887.db2.gz KRIRMTWHNWDPKV-UHFFFAOYSA-N 1 2 282.351 2.120 10 0 CEAELO C[C@H](CCO)[NH2+]c1ccc(N)cc1Br ZINC000132317919 344363382 /nfs/dbraw/zinc/36/33/82/344363382.db2.gz DFZXUGGEJAKSLW-SSDOTTSWSA-N 1 2 259.147 2.214 10 0 CEAELO CC(=O)Nc1ccc2[nH]cc(Cc3c[nH]c[nH+]3)c2c1 ZINC000147269840 344411888 /nfs/dbraw/zinc/41/18/88/344411888.db2.gz AMRSBZGLSGLXIF-UHFFFAOYSA-N 1 2 254.293 2.440 10 0 CEAELO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000050048827 362391007 /nfs/dbraw/zinc/39/10/07/362391007.db2.gz OTRJMHUGTSJPTL-HNNXBMFYSA-N 1 2 270.332 2.372 10 0 CEAELO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000050048827 362391010 /nfs/dbraw/zinc/39/10/10/362391010.db2.gz OTRJMHUGTSJPTL-HNNXBMFYSA-N 1 2 270.332 2.372 10 0 CEAELO C[C@@H]1CCSC2(CN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000159149155 344453828 /nfs/dbraw/zinc/45/38/28/344453828.db2.gz IGCZTIYQLWEZHL-SECBINFHSA-N 1 2 258.387 2.048 10 0 CEAELO c1nc(N[C@H]2CCCOC2)cc(NC[C@@H]2CCCS2)[nH+]1 ZINC000328625324 344756084 /nfs/dbraw/zinc/75/60/84/344756084.db2.gz CZQZRYAIBMHXCJ-RYUDHWBXSA-N 1 2 294.424 2.375 10 0 CEAELO c1nc(NC[C@@H]2CCCS2)cc(N[C@H]2CCCOC2)[nH+]1 ZINC000328625324 344756085 /nfs/dbraw/zinc/75/60/85/344756085.db2.gz CZQZRYAIBMHXCJ-RYUDHWBXSA-N 1 2 294.424 2.375 10 0 CEAELO CCC[C@@H]1[NH2+][C@@H](CCC)C(=O)N1C1CCC(O)CC1 ZINC000097678959 185650952 /nfs/dbraw/zinc/65/09/52/185650952.db2.gz AYHDWTLEGBHMHM-CLRIEMFWSA-N 1 2 268.401 2.017 10 0 CEAELO CCC[C@H]1[NH2+][C@](C)(CC)C(=O)N1C1CCC(O)CC1 ZINC000097679181 185651040 /nfs/dbraw/zinc/65/10/40/185651040.db2.gz RNBCFTRPPWHJNF-NSOJWWLLSA-N 1 2 268.401 2.017 10 0 CEAELO O=C(CCCN1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000062254328 362715812 /nfs/dbraw/zinc/71/58/12/362715812.db2.gz VUBOOVFCDBCHOW-UHFFFAOYSA-N 1 2 269.348 2.362 10 0 CEAELO CNc1nc(C[C@H]2CCCO2)[nH+]c(C)c1Br ZINC000085459247 179068974 /nfs/dbraw/zinc/06/89/74/179068974.db2.gz WZFXBMUPZYUOBE-MRVPVSSYSA-N 1 2 286.173 2.311 10 0 CEAELO Cc1cc2ccccc2[nH+]c1NCCC(=O)N(C)C ZINC000063105815 362750990 /nfs/dbraw/zinc/75/09/90/362750990.db2.gz CIHKPHQFVIGXAQ-UHFFFAOYSA-N 1 2 257.337 2.433 10 0 CEAELO CCO[C@@H]1C[C@H]([NH2+]C(C)(C)C(=O)OC)C12CCCC2 ZINC000085679647 179113388 /nfs/dbraw/zinc/11/33/88/179113388.db2.gz RDQGJGHZYPUFGC-NWDGAFQWSA-N 1 2 269.385 2.265 10 0 CEAELO CNc1nc(C[NH+](C)C)nc(C2CC2)c1Br ZINC000085801449 179173745 /nfs/dbraw/zinc/17/37/45/179173745.db2.gz XEOXIZURPUPACD-UHFFFAOYSA-N 1 2 285.189 2.220 10 0 CEAELO COc1ccc([C@H](O)c2ccc[nH+]c2N)cc1Cl ZINC000086596063 179310914 /nfs/dbraw/zinc/31/09/14/179310914.db2.gz BFELQLKJUHUZAT-LBPRGKRZSA-N 1 2 264.712 2.408 10 0 CEAELO C[NH+](C)c1ccc(N[C@H]2CCC[C@H]2S(C)(=O)=O)cc1 ZINC000086672298 179318122 /nfs/dbraw/zinc/31/81/22/179318122.db2.gz HZVXBWPZPWGALM-UONOGXRCSA-N 1 2 282.409 2.130 10 0 CEAELO NC(=O)c1ccc([C@@H]2COCC[N@@H+]2Cc2ccccc2)cc1 ZINC000616640206 348543639 /nfs/dbraw/zinc/54/36/39/348543639.db2.gz WWWCHKNLGVGOMG-KRWDZBQOSA-N 1 2 296.370 2.359 10 0 CEAELO NC(=O)c1ccc([C@@H]2COCC[N@H+]2Cc2ccccc2)cc1 ZINC000616640206 348543640 /nfs/dbraw/zinc/54/36/40/348543640.db2.gz WWWCHKNLGVGOMG-KRWDZBQOSA-N 1 2 296.370 2.359 10 0 CEAELO c1ccc(C[N@@H+]2CCO[C@H](c3ncccn3)C2)cc1 ZINC000616643141 348544464 /nfs/dbraw/zinc/54/44/64/348544464.db2.gz WLXSQNGJZJRLHG-AWEZNQCLSA-N 1 2 255.321 2.050 10 0 CEAELO c1ccc(C[N@H+]2CCO[C@H](c3ncccn3)C2)cc1 ZINC000616643141 348544468 /nfs/dbraw/zinc/54/44/68/348544468.db2.gz WLXSQNGJZJRLHG-AWEZNQCLSA-N 1 2 255.321 2.050 10 0 CEAELO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccccc2CO)C1 ZINC000616604703 348532001 /nfs/dbraw/zinc/53/20/01/348532001.db2.gz YQPUJVKZOYLYPV-AWEZNQCLSA-N 1 2 292.379 2.060 10 0 CEAELO COC(=O)N1c2ccccc2NC[C@H]1c1ccc(N)[nH+]c1 ZINC000616682151 348559672 /nfs/dbraw/zinc/55/96/72/348559672.db2.gz CTKHEQSLNUPLBC-ZDUSSCGKSA-N 1 2 284.319 2.234 10 0 CEAELO CCC[NH2+][C@@H](CCO[C@@H](C)C(F)(F)F)C(=O)OCC ZINC000090674264 180021682 /nfs/dbraw/zinc/02/16/82/180021682.db2.gz VVCWBVACXFLGFH-UWVGGRQHSA-N 1 2 285.306 2.275 10 0 CEAELO COC(=O)c1cc(NCc2scnc2C)cc[nH+]1 ZINC000090738158 180033928 /nfs/dbraw/zinc/03/39/28/180033928.db2.gz LGULXJPTFGETFA-UHFFFAOYSA-N 1 2 263.322 2.245 10 0 CEAELO COC(=O)[C@@H]([NH2+]C[C@@H]1Cc2cc(C)ccc2O1)C(C)C ZINC000090897357 180056877 /nfs/dbraw/zinc/05/68/77/180056877.db2.gz YNCZUVZFLHUZAZ-ZFWWWQNUSA-N 1 2 277.364 2.086 10 0 CEAELO COC(=O)C[N@H+](C[C@@H]1Cc2cc(C)ccc2O1)C(C)C ZINC000090900814 180059269 /nfs/dbraw/zinc/05/92/69/180059269.db2.gz VVMNLMGRPGJZFL-AWEZNQCLSA-N 1 2 277.364 2.182 10 0 CEAELO COC(=O)C[N@@H+](C[C@@H]1Cc2cc(C)ccc2O1)C(C)C ZINC000090900814 180059270 /nfs/dbraw/zinc/05/92/70/180059270.db2.gz VVMNLMGRPGJZFL-AWEZNQCLSA-N 1 2 277.364 2.182 10 0 CEAELO Nc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000090905476 180059911 /nfs/dbraw/zinc/05/99/11/180059911.db2.gz ARBJEHVMAYWRPR-TXEJJXNPSA-N 1 2 252.745 2.285 10 0 CEAELO Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000090905476 180059912 /nfs/dbraw/zinc/05/99/12/180059912.db2.gz ARBJEHVMAYWRPR-TXEJJXNPSA-N 1 2 252.745 2.285 10 0 CEAELO O=C(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907419 180060816 /nfs/dbraw/zinc/06/08/16/180060816.db2.gz KMAJTIGPLUNILJ-TXEJJXNPSA-N 1 2 263.312 2.262 10 0 CEAELO O=C(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907419 180060818 /nfs/dbraw/zinc/06/08/18/180060818.db2.gz KMAJTIGPLUNILJ-TXEJJXNPSA-N 1 2 263.312 2.262 10 0 CEAELO CC[C@H](C)[C@@H]([NH2+]Cc1c[nH]c2ncccc12)C(=O)OC ZINC000091016691 180087190 /nfs/dbraw/zinc/08/71/90/180087190.db2.gz KHBXSUMGALMZCL-GXFFZTMASA-N 1 2 275.352 2.240 10 0 CEAELO Cc1cccc(N[C@@H](C(N)=O)c2c[nH+]cn2C(C)C)c1 ZINC000091272578 180117600 /nfs/dbraw/zinc/11/76/00/180117600.db2.gz MELKPXKIZHPKIY-CQSZACIVSA-N 1 2 272.352 2.411 10 0 CEAELO CC(C)n1c[nH+]cc1[C@H](Nc1ccc(F)cc1)C(N)=O ZINC000091272571 180117890 /nfs/dbraw/zinc/11/78/90/180117890.db2.gz VNXRIDKEWSHTNM-ZDUSSCGKSA-N 1 2 276.315 2.242 10 0 CEAELO Cc1nc(-c2ccnc3ccccc32)[nH+]c(NN)c1F ZINC000091502312 180175193 /nfs/dbraw/zinc/17/51/93/180175193.db2.gz YUQGPHRQKXBYNH-UHFFFAOYSA-N 1 2 269.283 2.425 10 0 CEAELO CC[C@](C)([C@H](O)c1c(F)cccc1F)[NH+]1CCOCC1 ZINC000091611222 180206283 /nfs/dbraw/zinc/20/62/83/180206283.db2.gz DGXVMOZVTQEDJS-HUUCEWRRSA-N 1 2 285.334 2.499 10 0 CEAELO Cc1cnc(Cl)nc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000091658491 180218548 /nfs/dbraw/zinc/21/85/48/180218548.db2.gz NYZIZMYGEXEDHW-VIFPVBQESA-N 1 2 251.721 2.136 10 0 CEAELO C[N@@H+]1CCO[C@@H](CNc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000091673824 180225405 /nfs/dbraw/zinc/22/54/05/180225405.db2.gz ZAEAXDTVLLCGFD-LURJTMIESA-N 1 2 296.239 2.125 10 0 CEAELO C[N@H+]1CCO[C@@H](CNc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000091673824 180225406 /nfs/dbraw/zinc/22/54/06/180225406.db2.gz ZAEAXDTVLLCGFD-LURJTMIESA-N 1 2 296.239 2.125 10 0 CEAELO C[NH+](C)Cc1noc(-c2cc(Br)ccc2N)n1 ZINC000091685462 180225977 /nfs/dbraw/zinc/22/59/77/180225977.db2.gz QFKRLSMSPVCDIR-UHFFFAOYSA-N 1 2 297.156 2.143 10 0 CEAELO C[N@@H+]1CCO[C@H](C(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC000091688742 180227022 /nfs/dbraw/zinc/22/70/22/180227022.db2.gz KPEUQQJFTVDMAY-INIZCTEOSA-N 1 2 275.392 2.426 10 0 CEAELO C[N@H+]1CCO[C@H](C(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC000091688742 180227023 /nfs/dbraw/zinc/22/70/23/180227023.db2.gz KPEUQQJFTVDMAY-INIZCTEOSA-N 1 2 275.392 2.426 10 0 CEAELO O=C(c1ccccc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714029 180231557 /nfs/dbraw/zinc/23/15/57/180231557.db2.gz YUPVSUNCWFWUJW-MFKMUULPSA-N 1 2 265.740 2.386 10 0 CEAELO O=C(c1ccccc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091714029 180231559 /nfs/dbraw/zinc/23/15/59/180231559.db2.gz YUPVSUNCWFWUJW-MFKMUULPSA-N 1 2 265.740 2.386 10 0 CEAELO Cn1c(Cl)cnc1C[N@H+](C)C1CCC(=O)CC1 ZINC000091853923 180273492 /nfs/dbraw/zinc/27/34/92/180273492.db2.gz GHHCEBWDTMCLLY-UHFFFAOYSA-N 1 2 255.749 2.017 10 0 CEAELO Cn1c(Cl)cnc1C[N@@H+](C)C1CCC(=O)CC1 ZINC000091853923 180273494 /nfs/dbraw/zinc/27/34/94/180273494.db2.gz GHHCEBWDTMCLLY-UHFFFAOYSA-N 1 2 255.749 2.017 10 0 CEAELO C[N@@H+]1CCO[C@H](COc2cc3ccccc3cc2O)C1 ZINC000092059419 180315345 /nfs/dbraw/zinc/31/53/45/180315345.db2.gz XPYWZISXTRMKDC-AWEZNQCLSA-N 1 2 273.332 2.255 10 0 CEAELO C[N@H+]1CCO[C@H](COc2cc3ccccc3cc2O)C1 ZINC000092059419 180315346 /nfs/dbraw/zinc/31/53/46/180315346.db2.gz 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/nfs/dbraw/zinc/25/15/21/186251521.db2.gz IZLGSKJBBBISJI-KBPBESRZSA-N 1 2 250.317 2.161 10 0 CEAELO Nc1cccc(F)c1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000109427704 186251523 /nfs/dbraw/zinc/25/15/23/186251523.db2.gz IZLGSKJBBBISJI-KBPBESRZSA-N 1 2 250.317 2.161 10 0 CEAELO CC(=O)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000110252930 186289111 /nfs/dbraw/zinc/28/91/11/186289111.db2.gz MECBAJZCFVEBSW-INIZCTEOSA-N 1 2 286.375 2.200 10 0 CEAELO CC(=O)c1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000110252930 186289112 /nfs/dbraw/zinc/28/91/12/186289112.db2.gz MECBAJZCFVEBSW-INIZCTEOSA-N 1 2 286.375 2.200 10 0 CEAELO CCOc1cc([NH2+]CCC(=O)N[C@H](C)CC)ccc1N ZINC000111054527 186348595 /nfs/dbraw/zinc/34/85/95/186348595.db2.gz FXMQAGATQCPPAN-LLVKDONJSA-N 1 2 279.384 2.384 10 0 CEAELO CCCNC(=O)[C@@H](C)Nc1ccc([NH3+])c(OCCC)c1 ZINC000111052386 186348758 /nfs/dbraw/zinc/34/87/58/186348758.db2.gz KQTUYXCXYXFKOL-LLVKDONJSA-N 1 2 279.384 2.384 10 0 CEAELO COc1cc(N[C@@H](CO)c2ccccc2)ccc1[NH3+] 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/nfs/dbraw/zinc/81/48/74/177814874.db2.gz UITBNDYBDHBFSU-UHFFFAOYSA-N 1 2 251.330 2.184 10 0 CEAELO CC[NH2+][C@](CSc1ccncc1)(C(=O)OCC)C1CC1 ZINC000094614931 184826177 /nfs/dbraw/zinc/82/61/77/184826177.db2.gz SOWYTZFMDPBLRH-HNNXBMFYSA-N 1 2 294.420 2.495 10 0 CEAELO COC(=O)[C@](C)(CSc1ccncc1)[NH2+]C(C)C ZINC000094615117 184826544 /nfs/dbraw/zinc/82/65/44/184826544.db2.gz BXNDNAYYMWIOIW-ZDUSSCGKSA-N 1 2 268.382 2.103 10 0 CEAELO COC(=O)c1cc([NH2+]C[C@H]2CCCC[C@H]2O)cc(C)c1N ZINC000094695735 184841521 /nfs/dbraw/zinc/84/15/21/184841521.db2.gz FKPUZLBQFOHJNM-BXUZGUMPSA-N 1 2 292.379 2.327 10 0 CEAELO CNc1cc(C)ccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000094928945 184896716 /nfs/dbraw/zinc/89/67/16/184896716.db2.gz OODPNCAWPHPQBK-UHFFFAOYSA-N 1 2 272.352 2.042 10 0 CEAELO CC[C@@H](N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)OC ZINC000189917074 130038489 /nfs/dbraw/zinc/03/84/89/130038489.db2.gz NIESZCAXXCTWKQ-SWLSCSKDSA-N 1 2 287.363 2.475 10 0 CEAELO C[C@@H](c1ccccc1F)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247061452 131100284 /nfs/dbraw/zinc/10/02/84/131100284.db2.gz FXLROXBKBWIZTI-UONOGXRCSA-N 1 2 289.354 2.484 10 0 CEAELO C[C@@H](c1ccccc1F)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247061452 131100285 /nfs/dbraw/zinc/10/02/85/131100285.db2.gz FXLROXBKBWIZTI-UONOGXRCSA-N 1 2 289.354 2.484 10 0 CEAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)Nc1cccc(F)c1 ZINC000250128824 131123511 /nfs/dbraw/zinc/12/35/11/131123511.db2.gz ZXGQZMYUYUIPNC-HUUCEWRRSA-N 1 2 292.354 2.408 10 0 CEAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)Nc1cccc(F)c1 ZINC000250128824 131123512 /nfs/dbraw/zinc/12/35/12/131123512.db2.gz ZXGQZMYUYUIPNC-HUUCEWRRSA-N 1 2 292.354 2.408 10 0 CEAELO CC1(C)CCCN(c2nc(N)[nH+]cc2Br)C1 ZINC000087830920 135052200 /nfs/dbraw/zinc/05/22/00/135052200.db2.gz JJBXGIXUGZKYQQ-UHFFFAOYSA-N 1 2 285.189 2.448 10 0 CEAELO OCc1ccc(N2CCC(C(F)(F)F)CC2)[nH+]c1 ZINC000088433125 135054675 /nfs/dbraw/zinc/05/46/75/135054675.db2.gz UJXGDDCNJSZPRV-UHFFFAOYSA-N 1 2 260.259 2.353 10 0 CEAELO O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000232399150 394481170 /nfs/dbraw/zinc/48/11/70/394481170.db2.gz HGBNWCAOKBKSTF-LURJTMIESA-N 1 2 275.135 2.247 10 0 CEAELO c1nc2n(n1)C[C@@H](Nc1ccc3ccccc3[nH+]1)CC2 ZINC000264513475 394640450 /nfs/dbraw/zinc/64/04/50/394640450.db2.gz OCRMJKWLGYEJEQ-LBPRGKRZSA-N 1 2 265.320 2.253 10 0 CEAELO CCc1nnc(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)n1C ZINC000177395232 395150356 /nfs/dbraw/zinc/15/03/56/395150356.db2.gz ZUEMDWZNNCANKX-ZDUSSCGKSA-N 1 2 299.422 2.218 10 0 CEAELO CCc1nnc(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)n1C ZINC000177395232 395150363 /nfs/dbraw/zinc/15/03/63/395150363.db2.gz ZUEMDWZNNCANKX-ZDUSSCGKSA-N 1 2 299.422 2.218 10 0 CEAELO CC(C)n1nnnc1C[N@H+](C)[C@H](C)c1ccccc1 ZINC000195029416 395456652 /nfs/dbraw/zinc/45/66/52/395456652.db2.gz UHHOXUCVXRQBLC-GFCCVEGCSA-N 1 2 259.357 2.447 10 0 CEAELO CC(C)n1nnnc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000195029416 395456653 /nfs/dbraw/zinc/45/66/53/395456653.db2.gz UHHOXUCVXRQBLC-GFCCVEGCSA-N 1 2 259.357 2.447 10 0 CEAELO FC(F)n1ccnc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505354 395466998 /nfs/dbraw/zinc/46/69/98/395466998.db2.gz HWXJERUVGXIKGK-UHFFFAOYSA-N 1 2 281.310 2.381 10 0 CEAELO [NH3+][C@H](c1ccsn1)c1ncsc1Br ZINC000575454669 395664432 /nfs/dbraw/zinc/66/44/32/395664432.db2.gz XQPYTHLHJNVAMQ-RXMQYKEDSA-N 1 2 276.184 2.410 10 0 CEAELO COc1ccc(C[NH+]2[C@@H](C)COC[C@@H]2C)cc1F ZINC000120847527 286309742 /nfs/dbraw/zinc/30/97/42/286309742.db2.gz FNHCPNFRUCORPE-QWRGUYRKSA-N 1 2 253.317 2.444 10 0 CEAELO CCn1cc([C@@H]2C[N@H+](CCOCCC(C)C)CCO2)cn1 ZINC000190764545 153144208 /nfs/dbraw/zinc/14/42/08/153144208.db2.gz BLTLLWIKGLEVGM-INIZCTEOSA-N 1 2 295.427 2.339 10 0 CEAELO CCn1cc([C@@H]2C[N@@H+](CCOCCC(C)C)CCO2)cn1 ZINC000190764545 153144212 /nfs/dbraw/zinc/14/42/12/153144212.db2.gz BLTLLWIKGLEVGM-INIZCTEOSA-N 1 2 295.427 2.339 10 0 CEAELO CCn1cc([C@@H]2C[N@H+](Cc3cnc(C)s3)CCO2)cn1 ZINC000191701895 153184200 /nfs/dbraw/zinc/18/42/00/153184200.db2.gz JLWJNKSCHORCHP-AWEZNQCLSA-N 1 2 292.408 2.241 10 0 CEAELO CCn1cc([C@@H]2C[N@@H+](Cc3cnc(C)s3)CCO2)cn1 ZINC000191701895 153184202 /nfs/dbraw/zinc/18/42/02/153184202.db2.gz JLWJNKSCHORCHP-AWEZNQCLSA-N 1 2 292.408 2.241 10 0 CEAELO c1csc([C@H]2C[N@H+](C[C@@H]3CCCCO3)CCO2)n1 ZINC000195521248 153290747 /nfs/dbraw/zinc/29/07/47/153290747.db2.gz UBZURCRTYCUIEA-NWDGAFQWSA-N 1 2 268.382 2.086 10 0 CEAELO c1csc([C@H]2C[N@@H+](C[C@@H]3CCCCO3)CCO2)n1 ZINC000195521248 153290750 /nfs/dbraw/zinc/29/07/50/153290750.db2.gz UBZURCRTYCUIEA-NWDGAFQWSA-N 1 2 268.382 2.086 10 0 CEAELO NC(=O)[C@H]([NH2+][C@H]1COc2ccccc21)c1ccc(F)cc1 ZINC000171121508 162378871 /nfs/dbraw/zinc/37/88/71/162378871.db2.gz FCQFIEHJVCTNHB-DZGCQCFKSA-N 1 2 286.306 2.075 10 0 CEAELO C[C@@H](NC(=O)c1ccon1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173913368 165085788 /nfs/dbraw/zinc/08/57/88/165085788.db2.gz XCZZRQGZRXHJLR-LLVKDONJSA-N 1 2 282.303 2.351 10 0 CEAELO CCCC[C@H](CCC)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000175603235 165141833 /nfs/dbraw/zinc/14/18/33/165141833.db2.gz JOTWJMWBPILHOS-GJZGRUSLSA-N 1 2 299.459 2.365 10 0 CEAELO COc1ccccc1S(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000176948575 165180172 /nfs/dbraw/zinc/18/01/72/165180172.db2.gz XNFAFFXZNJNIGU-UHFFFAOYSA-N 1 2 294.376 2.447 10 0 CEAELO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(C)n2CC)C12CCC2 ZINC000177674789 165203089 /nfs/dbraw/zinc/20/30/89/165203089.db2.gz FBAUBRYEBUAVPY-KBPBESRZSA-N 1 2 292.427 2.386 10 0 CEAELO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(C)n2CC)C12CCC2 ZINC000177674789 165203091 /nfs/dbraw/zinc/20/30/91/165203091.db2.gz FBAUBRYEBUAVPY-KBPBESRZSA-N 1 2 292.427 2.386 10 0 CEAELO Cc1cnc(NS(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000021047169 171294351 /nfs/dbraw/zinc/29/43/51/171294351.db2.gz AOMGJLGGDTXJQJ-SECBINFHSA-N 1 2 297.405 2.272 10 0 CEAELO Nc1cc(Cl)c(NC(=O)Cn2cc[nH+]c2)c(Cl)c1 ZINC000022214909 171375501 /nfs/dbraw/zinc/37/55/01/171375501.db2.gz ZUPZXJUPFHKKSZ-UHFFFAOYSA-N 1 2 285.134 2.411 10 0 CEAELO Nc1ccc(SCC[NH+]2CCOCC2)c(Cl)c1 ZINC000037205007 173026882 /nfs/dbraw/zinc/02/68/82/173026882.db2.gz UCFYKAPEQOIPSU-UHFFFAOYSA-N 1 2 272.801 2.347 10 0 CEAELO COC(=O)[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037303296 173109064 /nfs/dbraw/zinc/10/90/64/173109064.db2.gz ZDYKRPSJWWRFLH-ZANVPECISA-N 1 2 251.301 2.428 10 0 CEAELO C[C@H]1COCC[N@@H+]1CCCC(=O)c1cccs1 ZINC000037323447 173124185 /nfs/dbraw/zinc/12/41/85/173124185.db2.gz QSQYCSDLHBNKJX-NSHDSACASA-N 1 2 253.367 2.432 10 0 CEAELO C[C@H]1COCC[N@H+]1CCCC(=O)c1cccs1 ZINC000037323447 173124186 /nfs/dbraw/zinc/12/41/86/173124186.db2.gz QSQYCSDLHBNKJX-NSHDSACASA-N 1 2 253.367 2.432 10 0 CEAELO CC[NH2+][C@@](CC)(C(=O)OCC)c1ccc(O)cc1 ZINC000037447072 173214442 /nfs/dbraw/zinc/21/44/42/173214442.db2.gz MQKCMXTWGLAXRL-CQSZACIVSA-N 1 2 251.326 2.170 10 0 CEAELO CC[C@H](C)[NH2+][C@](C)(C(=O)OC)c1ccc(O)cc1 ZINC000038067061 174078646 /nfs/dbraw/zinc/07/86/46/174078646.db2.gz DLJDITTWDCLUNE-HZMBPMFUSA-N 1 2 251.326 2.169 10 0 CEAELO CCOCCCn1c(CCCO)[nH+]c2ccccc21 ZINC000040163905 174197048 /nfs/dbraw/zinc/19/70/48/174197048.db2.gz ILGRPJTVECTQNQ-UHFFFAOYSA-N 1 2 262.353 2.388 10 0 CEAELO CCNc1[nH+]cnc(Nc2ccc(OC)cc2OC)c1N ZINC000040707288 174379313 /nfs/dbraw/zinc/37/93/13/174379313.db2.gz QJJUDWWLIVUHAC-UHFFFAOYSA-N 1 2 289.339 2.251 10 0 CEAELO COc1ccc2nc(Nc3nc[nH+]c(N)c3N)sc2c1 ZINC000040723966 174386210 /nfs/dbraw/zinc/38/62/10/174386210.db2.gz ZWLRYSNLOWPBJY-UHFFFAOYSA-N 1 2 288.336 2.003 10 0 CEAELO O=C(C[N@H+]1CCC[C@H]1CCCO)c1ccccc1F ZINC000052761239 414749064 /nfs/dbraw/zinc/74/90/64/414749064.db2.gz JNKKLUKBYOUNCC-LBPRGKRZSA-N 1 2 265.328 2.245 10 0 CEAELO O=C(C[N@@H+]1CCC[C@H]1CCCO)c1ccccc1F ZINC000052761239 414749068 /nfs/dbraw/zinc/74/90/68/414749068.db2.gz JNKKLUKBYOUNCC-LBPRGKRZSA-N 1 2 265.328 2.245 10 0 CEAELO Cc1ccc(C(N)=O)c(N(C)[C@H](C)c2cccc(N)c2)[nH+]1 ZINC000043396045 175036296 /nfs/dbraw/zinc/03/62/96/175036296.db2.gz PUFGVSDMWJJRQK-LLVKDONJSA-N 1 2 284.363 2.269 10 0 CEAELO CCC[NH2+][C@@](C)(CN1c2ccccc2C[C@@H]1C)C(=O)OC ZINC000045222622 175330793 /nfs/dbraw/zinc/33/07/93/175330793.db2.gz JXQSAUVBHPHZDP-GUYCJALGSA-N 1 2 290.407 2.369 10 0 CEAELO CC(C)C[NH+](CC(C)C)C[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045273754 175344164 /nfs/dbraw/zinc/34/41/64/175344164.db2.gz VFEVAEFWODFCRC-OAHLLOKOSA-N 1 2 270.417 2.196 10 0 CEAELO CCN(CC[C@](C)([NH2+]C)C(=O)OC)c1cccc(F)c1 ZINC000045275468 175345767 /nfs/dbraw/zinc/34/57/67/175345767.db2.gz HJPVKPMMAXLVAA-HNNXBMFYSA-N 1 2 282.359 2.193 10 0 CEAELO CCC[NH2+][C@@H](C[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045420343 175378423 /nfs/dbraw/zinc/37/84/23/175378423.db2.gz QSCXGSYVQXDLGJ-ZDUSSCGKSA-N 1 2 258.406 2.053 10 0 CEAELO CCOC(=O)C[N@H+](CC)C[C@@H]1OCCc2ccccc21 ZINC000071030861 176022177 /nfs/dbraw/zinc/02/21/77/176022177.db2.gz CFAHUDBKXDIDJX-HNNXBMFYSA-N 1 2 277.364 2.185 10 0 CEAELO CCOC(=O)C[N@@H+](CC)C[C@@H]1OCCc2ccccc21 ZINC000071030861 176022179 /nfs/dbraw/zinc/02/21/79/176022179.db2.gz CFAHUDBKXDIDJX-HNNXBMFYSA-N 1 2 277.364 2.185 10 0 CEAELO Cc1cc[nH+]cc1N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000071413707 176159254 /nfs/dbraw/zinc/15/92/54/176159254.db2.gz UYPDSRCFOWGWMF-LLVKDONJSA-N 1 2 291.376 2.211 10 0 CEAELO Cc1ccn2cc(CC(=O)N3CCC[C@H](C)C3)[nH+]c2c1 ZINC000071552379 176196706 /nfs/dbraw/zinc/19/67/06/176196706.db2.gz XGQDPNNFGBOITM-ZDUSSCGKSA-N 1 2 271.364 2.444 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000078723620 177376016 /nfs/dbraw/zinc/37/60/16/177376016.db2.gz DXWBBGVQMHRHEP-UHFFFAOYSA-N 1 2 273.380 2.285 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC000078723620 177376017 /nfs/dbraw/zinc/37/60/17/177376017.db2.gz DXWBBGVQMHRHEP-UHFFFAOYSA-N 1 2 273.380 2.285 10 0 CEAELO COc1c(N)[nH+]cnc1N[C@@H](C)c1cccs1 ZINC000134826421 419435981 /nfs/dbraw/zinc/43/59/81/419435981.db2.gz VSPIVTLJRCCLFJ-ZETCQYMHSA-N 1 2 250.327 2.302 10 0 CEAELO COc1c(N)nc[nH+]c1N[C@@H](C)c1cccs1 ZINC000134826421 419435993 /nfs/dbraw/zinc/43/59/93/419435993.db2.gz VSPIVTLJRCCLFJ-ZETCQYMHSA-N 1 2 250.327 2.302 10 0 CEAELO COc1ccc([C@@H](C)[NH2+]Cc2nc(C)no2)c(OC)c1 ZINC000038034454 260124678 /nfs/dbraw/zinc/12/46/78/260124678.db2.gz JPMOYPOJPWUULL-SECBINFHSA-N 1 2 277.324 2.246 10 0 CEAELO Cc1cc[nH+]c(N[C@@H]2CCC(=O)N[C@H]2C)c1Br ZINC000286491791 278987474 /nfs/dbraw/zinc/98/74/74/278987474.db2.gz PSHFPMPVBKPLKT-DTWKUNHWSA-N 1 2 298.184 2.232 10 0 CEAELO C[C@H](Cc1ccccc1)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248618630 279380887 /nfs/dbraw/zinc/38/08/87/279380887.db2.gz ZQMCRYPJURWHSG-ZACQAIPSSA-N 1 2 290.451 2.252 10 0 CEAELO C[C@H](Cc1ccccc1)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248618630 279380888 /nfs/dbraw/zinc/38/08/88/279380888.db2.gz ZQMCRYPJURWHSG-ZACQAIPSSA-N 1 2 290.451 2.252 10 0 CEAELO CCn1nccc1C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000245510347 280246513 /nfs/dbraw/zinc/24/65/13/280246513.db2.gz WETFFLJHEUFVGV-YUELXQCFSA-N 1 2 291.395 2.209 10 0 CEAELO CCn1nccc1C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000245510347 280246516 /nfs/dbraw/zinc/24/65/16/280246516.db2.gz WETFFLJHEUFVGV-YUELXQCFSA-N 1 2 291.395 2.209 10 0 CEAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc(O)c1 ZINC000194929665 293526798 /nfs/dbraw/zinc/52/67/98/293526798.db2.gz YUKQIDFRLZYMEG-QMTHXVAHSA-N 1 2 272.352 2.478 10 0 CEAELO CC[NH2+][C@](C)(C[C@@H](C)Sc1cnn(C)c1)C(=O)OCC ZINC000068639965 520238611 /nfs/dbraw/zinc/23/86/11/520238611.db2.gz BNOJCMYZIXZNPS-BXUZGUMPSA-N 1 2 299.440 2.222 10 0 CEAELO CCOC(=O)[C@@](COCC1CC1)([NH2+]C(C)C)C1CC1 ZINC000069196691 521166118 /nfs/dbraw/zinc/16/61/18/521166118.db2.gz HOAAEODUVLYVGF-HNNXBMFYSA-N 1 2 269.385 2.123 10 0 CEAELO CCOC(=O)[C@H](C)NC1=[NH+][C@@H](CC(C)C)CS1 ZINC000049374838 521205916 /nfs/dbraw/zinc/20/59/16/521205916.db2.gz GEDCALBWFIJIKQ-UWVGGRQHSA-N 1 2 258.387 2.045 10 0 CEAELO CCOC(=O)[C@H](CCOCCCc1ccccc1)[NH2+]C ZINC000062595507 521246967 /nfs/dbraw/zinc/24/69/67/521246967.db2.gz HVDOOODNWSRHIZ-HNNXBMFYSA-N 1 2 279.380 2.177 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)OCC(F)(F)F)[NH2+]C1CC1 ZINC000068654682 521321353 /nfs/dbraw/zinc/32/13/53/521321353.db2.gz ZBFCNFNUAZSBSL-SKDRFNHKSA-N 1 2 297.317 2.418 10 0 CEAELO CCC(CC)N(CCOC)c1cccc(CO)[nH+]1 ZINC000051042235 521562058 /nfs/dbraw/zinc/56/20/58/521562058.db2.gz LKXZGPRQSIXOFM-UHFFFAOYSA-N 1 2 252.358 2.215 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)n1ccc(C(F)(F)F)n1)C(=O)OC ZINC000068649325 522524755 /nfs/dbraw/zinc/52/47/55/522524755.db2.gz MXUVASBCCCCNFP-GZMMTYOYSA-N 1 2 293.289 2.004 10 0 CEAELO CCC[NH2+][C@@H](CCO[C@@H](C)CC(C)C)C(=O)OC ZINC000062544944 520004572 /nfs/dbraw/zinc/00/45/72/520004572.db2.gz KDXUAZFHZFYPBO-STQMWFEESA-N 1 2 259.390 2.369 10 0 CEAELO CCC[NH2+][C@H](CCn1c[nH+]c2cc(C)c(C)cc21)C(=O)[O-] ZINC000062534570 520080368 /nfs/dbraw/zinc/08/03/68/520080368.db2.gz UDCHLSCJUXTHNG-CYBMUJFWSA-N 1 2 289.379 2.496 10 0 CEAELO CC[NH2+][C@@H](CCOc1cc(C)cc(C)c1)C(=O)OC ZINC000062549542 520091435 /nfs/dbraw/zinc/09/14/35/520091435.db2.gz WFRHWFBCORTDQS-AWEZNQCLSA-N 1 2 265.353 2.223 10 0 CEAELO CCC[NH2+][C@](COc1ccccc1)(C(=O)OC)C1CC1 ZINC000069197560 520123850 /nfs/dbraw/zinc/12/38/50/520123850.db2.gz YVPWXUJBKOECJE-INIZCTEOSA-N 1 2 277.364 2.387 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)Sc1ncccn1)C(=O)OCC ZINC000068638228 520142594 /nfs/dbraw/zinc/14/25/94/520142594.db2.gz UYBHZZSYXHFBLA-RISCZKNCSA-N 1 2 297.424 2.279 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000068641946 520144945 /nfs/dbraw/zinc/14/49/45/520144945.db2.gz RNLNYLPLWGFBCI-LRDDRELGSA-N 1 2 276.380 2.234 10 0 CEAELO CCCNc1[nH+]cccc1CN1C(=O)N[C@](C)(CC)C1=O ZINC000052732898 520195638 /nfs/dbraw/zinc/19/56/38/520195638.db2.gz WGBPSUIJFSGUJF-OAHLLOKOSA-N 1 2 290.367 2.124 10 0 CEAELO CC[NH2+][C@](C)(CSc1cccc(OC)c1)C(=O)OC ZINC000045558269 520233731 /nfs/dbraw/zinc/23/37/31/520233731.db2.gz RUABTGRPMZQQAC-CQSZACIVSA-N 1 2 283.393 2.329 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)N(CC)CC(F)(F)F)C(=O)OC ZINC000068629514 520239847 /nfs/dbraw/zinc/23/98/47/520239847.db2.gz HWHAXZDHLBTMPL-CMPLNLGQSA-N 1 2 298.349 2.190 10 0 CEAELO CC[NH2+][C@](C)(C[C@H](C)n1nc(C)cc1C)C(=O)OCC ZINC000068648874 520243047 /nfs/dbraw/zinc/24/30/47/520243047.db2.gz YHTPHURGCJMHAV-DZGCQCFKSA-N 1 2 281.400 2.382 10 0 CEAELO CC[NH2+][C@](COCCC(C)C)(C(=O)OCC)C1CC1 ZINC000069196232 520249026 /nfs/dbraw/zinc/24/90/26/520249026.db2.gz VTJXRVVTXUKRGO-HNNXBMFYSA-N 1 2 271.401 2.371 10 0 CEAELO CCNc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCC)cn1 ZINC000050814291 520302663 /nfs/dbraw/zinc/30/26/63/520302663.db2.gz NCUWCUODLZOTJV-CQSZACIVSA-N 1 2 291.395 2.431 10 0 CEAELO CCNc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OCC)cn1 ZINC000050814291 520302672 /nfs/dbraw/zinc/30/26/72/520302672.db2.gz NCUWCUODLZOTJV-CQSZACIVSA-N 1 2 291.395 2.431 10 0 CEAELO CCNc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000050649715 520325880 /nfs/dbraw/zinc/32/58/80/520325880.db2.gz IEMSHPGYWCUWOJ-UHFFFAOYSA-N 1 2 277.349 2.314 10 0 CEAELO CC[N@H+](CC(C)C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069096824 520412118 /nfs/dbraw/zinc/41/21/18/520412118.db2.gz NDLMPDRWRAHHNA-OAHLLOKOSA-N 1 2 270.417 2.196 10 0 CEAELO CC[N@@H+](CC(C)C)C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069096824 520412126 /nfs/dbraw/zinc/41/21/26/520412126.db2.gz NDLMPDRWRAHHNA-OAHLLOKOSA-N 1 2 270.417 2.196 10 0 CEAELO CCOC(=O)[C@@](CN(C)c1ccccc1)([NH2+]C)C1CC1 ZINC000069094347 521167012 /nfs/dbraw/zinc/16/70/12/521167012.db2.gz NBJAKKLTAKRBPK-INIZCTEOSA-N 1 2 276.380 2.054 10 0 CEAELO CCOC(=O)[C@@](COc1cc(F)ccc1F)([NH2+]C)C1CC1 ZINC000069198672 521168640 /nfs/dbraw/zinc/16/86/40/521168640.db2.gz BGERHNWDQTVLOP-HNNXBMFYSA-N 1 2 299.317 2.275 10 0 CEAELO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(NC)nc1 ZINC000050814290 521285474 /nfs/dbraw/zinc/28/54/74/521285474.db2.gz BUDDAWKPSUYDRL-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(NC)nc1 ZINC000050814290 521285483 /nfs/dbraw/zinc/28/54/83/521285483.db2.gz BUDDAWKPSUYDRL-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO CCOC(=O)[C@](COCC(F)(F)F)([NH2+]C(C)C)C1CC1 ZINC000069196834 521344007 /nfs/dbraw/zinc/34/40/07/521344007.db2.gz XCTNTZDBNRHVQN-GFCCVEGCSA-N 1 2 297.317 2.275 10 0 CEAELO CCCc1cc(N)nc(-c2ccc3c(c2)OCCO3)[nH+]1 ZINC000050866661 521366978 /nfs/dbraw/zinc/36/69/78/521366978.db2.gz USZZBANNYMENBJ-UHFFFAOYSA-N 1 2 271.320 2.450 10 0 CEAELO CCC(CC)(c1noc([C@@H]([NH3+])CO)n1)c1ccccc1 ZINC000062783243 521479830 /nfs/dbraw/zinc/47/98/30/521479830.db2.gz MXNZTIARYPQGGZ-LBPRGKRZSA-N 1 2 275.352 2.168 10 0 CEAELO CC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000062754738 521564844 /nfs/dbraw/zinc/56/48/44/521564844.db2.gz SNJJHZOGAPHDGC-UHFFFAOYSA-N 1 2 294.370 2.440 10 0 CEAELO CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000062754738 521564846 /nfs/dbraw/zinc/56/48/46/521564846.db2.gz SNJJHZOGAPHDGC-UHFFFAOYSA-N 1 2 294.370 2.440 10 0 CEAELO CC[NH+]1CCN(c2nc3c(s2)C(=O)CC(C)(C)C3)CC1 ZINC000054861353 521700924 /nfs/dbraw/zinc/70/09/24/521700924.db2.gz BUQNEEFTLMZZOR-UHFFFAOYSA-N 1 2 293.436 2.440 10 0 CEAELO CCc1[nH+]c2ccccc2n1CC[C@@H]([NH2+]C1CC1)C(=O)[O-] ZINC000062807954 522501634 /nfs/dbraw/zinc/50/16/34/522501634.db2.gz XFAGWBKQEZQMSG-CYBMUJFWSA-N 1 2 287.363 2.194 10 0 CEAELO C[NH2+][C@](C)(C[C@H](C)n1cnc2ccccc21)C(=O)OC ZINC000068648917 522525389 /nfs/dbraw/zinc/52/53/89/522525389.db2.gz DDXKMOUMSFWTNF-XHDPSFHLSA-N 1 2 275.352 2.139 10 0 CEAELO CNc1ccc(Cl)cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000050788807 522629319 /nfs/dbraw/zinc/62/93/19/522629319.db2.gz OOGVUKFWMUELFD-SNVBAGLBSA-N 1 2 292.770 2.397 10 0 CEAELO COc1cc(NCc2[nH]c[nH+]c2C)ccc1NC(C)=O ZINC000054794676 522746633 /nfs/dbraw/zinc/74/66/33/522746633.db2.gz BWJLBADOBLYSKB-UHFFFAOYSA-N 1 2 274.324 2.297 10 0 CEAELO COc1ccc(-c2[nH+]c(C(C)(C)C)n(N)c2N)cc1OC ZINC000052839678 523191049 /nfs/dbraw/zinc/19/10/49/523191049.db2.gz JJPQIRFLAQRRPK-UHFFFAOYSA-N 1 2 290.367 2.161 10 0 CEAELO COC(=O)[C@@](C)(CCSc1cc(C)nn1C)[NH2+]C(C)C ZINC000052312225 523815354 /nfs/dbraw/zinc/81/53/54/523815354.db2.gz VPZGFFRQXAMSIB-CQSZACIVSA-N 1 2 299.440 2.140 10 0 CEAELO COC(=O)[C@H](CCSc1ccc(OC)cc1)[NH2+]C1CC1 ZINC000062599109 523901137 /nfs/dbraw/zinc/90/11/37/523901137.db2.gz IWYGQVIPXOPULP-AWEZNQCLSA-N 1 2 295.404 2.471 10 0 CEAELO COC(=O)[C@H]([NH2+]Cc1cc(OC)c(OC)cc1C)C(C)C ZINC000068828224 523927310 /nfs/dbraw/zinc/92/73/10/523927310.db2.gz YHWGGDVFSAEDHT-OAHLLOKOSA-N 1 2 295.379 2.299 10 0 CEAELO CCc1ccc(N(C)C[C@]([NH2+]C)(C(=O)OC)C2CC2)cc1 ZINC000069231239 523959676 /nfs/dbraw/zinc/95/96/76/523959676.db2.gz CQCVOEHNHRGLEU-QGZVFWFLSA-N 1 2 290.407 2.226 10 0 CEAELO COC(=O)[C@](C)(COc1cc(F)cc(F)c1)[NH2+]C(C)C ZINC000054933904 524000493 /nfs/dbraw/zinc/00/04/93/524000493.db2.gz UKLAHTAEBFTOQI-AWEZNQCLSA-N 1 2 287.306 2.273 10 0 CEAELO COC(=O)[C@](CN(C)c1ccccc1)([NH2+]C1CC1)C1CC1 ZINC000069094208 524005048 /nfs/dbraw/zinc/00/50/48/524005048.db2.gz UKJBTLIKJSFOHB-QGZVFWFLSA-N 1 2 288.391 2.197 10 0 CEAELO C[NH+](C)C(C)(C)CNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054532209 524033859 /nfs/dbraw/zinc/03/38/59/524033859.db2.gz BXNFBUQBDFJQOQ-UHFFFAOYSA-N 1 2 277.368 2.021 10 0 CEAELO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1nc(C2CC2)no1 ZINC000182897745 525543473 /nfs/dbraw/zinc/54/34/73/525543473.db2.gz QAMXPWMTANPDQI-GWCFXTLKSA-N 1 2 273.336 2.331 10 0 CEAELO C[C@@H]([NH2+]Cc1noc(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000183216759 525566610 /nfs/dbraw/zinc/56/66/10/525566610.db2.gz XJDQHYUPMHZIPA-DGCLKSJQSA-N 1 2 273.336 2.394 10 0 CEAELO CSC[C@@H](C)CNc1cc(C(N)=S)cc[nH+]1 ZINC000069015034 525626344 /nfs/dbraw/zinc/62/63/44/525626344.db2.gz MOQMHBHOBPYPSD-QMMMGPOBSA-N 1 2 255.412 2.127 10 0 CEAELO C[C@@H](O)c1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000061694679 525868924 /nfs/dbraw/zinc/86/89/24/525868924.db2.gz KVJWBKXAOJABHI-SNVBAGLBSA-N 1 2 299.212 2.254 10 0 CEAELO Cc1csc([C@@H]2C[N@H+](CCc3ccncc3)CCO2)n1 ZINC000157776096 526423876 /nfs/dbraw/zinc/42/38/76/526423876.db2.gz VLNZYJOVTWRMNH-AWEZNQCLSA-N 1 2 289.404 2.463 10 0 CEAELO Cc1csc([C@@H]2C[N@@H+](CCc3ccncc3)CCO2)n1 ZINC000157776096 526423879 /nfs/dbraw/zinc/42/38/79/526423879.db2.gz VLNZYJOVTWRMNH-AWEZNQCLSA-N 1 2 289.404 2.463 10 0 CEAELO c1[nH]cc(-c2ccc(NCc3cncnc3)cc2)[nH+]1 ZINC000054767615 526591108 /nfs/dbraw/zinc/59/11/08/526591108.db2.gz OJTJJNHGYNCEPK-UHFFFAOYSA-N 1 2 251.293 2.479 10 0 CEAELO Cc1[nH]c(CNc2ccc(-c3cc(=O)[nH][nH]3)cc2)c[nH+]1 ZINC000054821899 526895445 /nfs/dbraw/zinc/89/54/45/526895445.db2.gz SGFBYKBGNAWIRK-UHFFFAOYSA-N 1 2 269.308 2.426 10 0 CEAELO Cc1[nH]cc(CNc2ccc(-c3cc(=O)[nH][nH]3)cc2)[nH+]1 ZINC000054821899 526895449 /nfs/dbraw/zinc/89/54/49/526895449.db2.gz SGFBYKBGNAWIRK-UHFFFAOYSA-N 1 2 269.308 2.426 10 0 CEAELO Clc1nc(-n2cc[nH+]c2)nc(N2CCc3ccccc32)n1 ZINC000061535242 527003387 /nfs/dbraw/zinc/00/33/87/527003387.db2.gz UTZZIRLQAPPRRR-UHFFFAOYSA-N 1 2 298.737 2.405 10 0 CEAELO NC(=S)c1cc(C[NH+]2Cc3ccccc3C2)ccn1 ZINC000068752759 527114184 /nfs/dbraw/zinc/11/41/84/527114184.db2.gz FYBYVOWRTMOWSW-UHFFFAOYSA-N 1 2 269.373 2.232 10 0 CEAELO [NH3+][C@H](c1nnc(-c2cscn2)o1)c1ccccc1 ZINC000062362078 527392890 /nfs/dbraw/zinc/39/28/90/527392890.db2.gz ZYUWDINSGGOKGC-JTQLQIEISA-N 1 2 258.306 2.241 10 0 CEAELO Cc1cnc(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)s1 ZINC000220614813 538853266 /nfs/dbraw/zinc/85/32/66/538853266.db2.gz MHXLRBOYNQPDBN-VIFPVBQESA-N 1 2 276.365 2.227 10 0 CEAELO Cc1cnc(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)s1 ZINC000220614813 538853273 /nfs/dbraw/zinc/85/32/73/538853273.db2.gz MHXLRBOYNQPDBN-VIFPVBQESA-N 1 2 276.365 2.227 10 0 CEAELO C[C@@H]1C[NH+](C[C@H](O)c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000051085774 623641830 /nfs/dbraw/zinc/64/18/30/623641830.db2.gz LWKAQWLNEHRNRV-RULNRJAQSA-N 1 2 271.307 2.107 10 0 CEAELO C[C@H]1CC[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC000178169882 625959165 /nfs/dbraw/zinc/95/91/65/625959165.db2.gz ASTZIOCCVDFVDJ-SWLSCSKDSA-N 1 2 285.347 2.056 10 0 CEAELO COC[C@@H]([NH3+])c1nc(Cc2cccc(Cl)c2F)no1 ZINC000213774569 652311919 /nfs/dbraw/zinc/31/19/19/652311919.db2.gz QEDSBNHANMOPAV-SECBINFHSA-N 1 2 285.706 2.099 10 0 CEAELO COc1cc(C)[nH+]c(CN2CCC[C@H](C(C)=O)C2)c1 ZINC000214118679 652354683 /nfs/dbraw/zinc/35/46/83/652354683.db2.gz LGKHMKQAXZRSLI-ZDUSSCGKSA-N 1 2 262.353 2.200 10 0 CEAELO Cc1[nH]c2c([nH+]1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000725261978 539209949 /nfs/dbraw/zinc/20/99/49/539209949.db2.gz PLOHSMVLAYZYSI-UHFFFAOYSA-N 1 2 251.330 2.401 10 0 CEAELO Cc1[nH]c2c([nH+]1)CN(C(=O)OC(C)(C)C)CCC2 ZINC000725261978 539209950 /nfs/dbraw/zinc/20/99/50/539209950.db2.gz PLOHSMVLAYZYSI-UHFFFAOYSA-N 1 2 251.330 2.401 10 0 CEAELO COc1cc(C[NH2+][C@@H](C)c2ncc(C)o2)sn1 ZINC000399153821 539263632 /nfs/dbraw/zinc/26/36/32/539263632.db2.gz GXWIJLCPEUFWKK-QMMMGPOBSA-N 1 2 253.327 2.299 10 0 CEAELO CCn1nccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000128187995 187356371 /nfs/dbraw/zinc/35/63/71/187356371.db2.gz YCJNOKCJBSUMMG-UHFFFAOYSA-N 1 2 259.357 2.006 10 0 CEAELO Nc1[nH]c2c([nH+]1)Cc1cc(Br)ccc1-2 ZINC000128051899 344333733 /nfs/dbraw/zinc/33/37/33/344333733.db2.gz DKWZFWXXLAGMEV-UHFFFAOYSA-N 1 2 250.099 2.326 10 0 CEAELO c1[nH]c2nc[nH+]cc2c1-c1cn(Cc2ccccc2)nn1 ZINC000143979859 344406801 /nfs/dbraw/zinc/40/68/01/344406801.db2.gz XWDZMCCBAJDONY-UHFFFAOYSA-N 1 2 276.303 2.265 10 0 CEAELO CC(C)c1nnc(C[N@@H+]2CCS[C@H](C)CC2)n1C ZINC000192181649 344516825 /nfs/dbraw/zinc/51/68/25/344516825.db2.gz SYHVGBPTAOJCHE-LLVKDONJSA-N 1 2 268.430 2.266 10 0 CEAELO CC(C)c1nnc(C[N@H+]2CCS[C@H](C)CC2)n1C ZINC000192181649 344516826 /nfs/dbraw/zinc/51/68/26/344516826.db2.gz SYHVGBPTAOJCHE-LLVKDONJSA-N 1 2 268.430 2.266 10 0 CEAELO COc1ncc(F)cc1[C@@H](C)Oc1ccc[nH+]c1N ZINC000225246611 344544824 /nfs/dbraw/zinc/54/48/24/344544824.db2.gz WJJVADKQSOTLKI-MRVPVSSYSA-N 1 2 263.272 2.347 10 0 CEAELO c1coc(CNc2cc(N[C@H]3CCCOC3)[nH+]cn2)c1 ZINC000328655801 344757863 /nfs/dbraw/zinc/75/78/63/344757863.db2.gz YSCJVYVWAKXHIC-NSHDSACASA-N 1 2 274.324 2.273 10 0 CEAELO c1coc(CNc2cc(N[C@H]3CCCOC3)nc[nH+]2)c1 ZINC000328655801 344757865 /nfs/dbraw/zinc/75/78/65/344757865.db2.gz YSCJVYVWAKXHIC-NSHDSACASA-N 1 2 274.324 2.273 10 0 CEAELO CC(C)n1cccc1C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328619967 344755529 /nfs/dbraw/zinc/75/55/29/344755529.db2.gz GOPUFNQQJHODPU-ZDUSSCGKSA-N 1 2 286.379 2.258 10 0 CEAELO CP(C)(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000584651222 344973766 /nfs/dbraw/zinc/97/37/66/344973766.db2.gz DSMYVWKHFHPZPL-UHFFFAOYSA-N 1 2 266.325 2.384 10 0 CEAELO Cn1cc[nH+]c1[C@@H](NN)c1ccc(C2CCC2)cc1 ZINC000097616284 185639441 /nfs/dbraw/zinc/63/94/41/185639441.db2.gz ATULCDPVPVPFTB-AWEZNQCLSA-N 1 2 256.353 2.240 10 0 CEAELO Cn1c[nH+]cc1[C@@H](Cc1cccc2ccccc21)NN ZINC000097640736 185642497 /nfs/dbraw/zinc/64/24/97/185642497.db2.gz SCKRURGROPWWCA-OAHLLOKOSA-N 1 2 266.348 2.320 10 0 CEAELO CCCNc1[nH+]cnc(NC2CCC(O)CC2)c1C ZINC000097678793 185650051 /nfs/dbraw/zinc/65/00/51/185650051.db2.gz ZITLNWAAYWGPGK-UHFFFAOYSA-N 1 2 264.373 2.322 10 0 CEAELO CCCNc1nc[nH+]c(NC2CCC(O)CC2)c1C ZINC000097678793 185650053 /nfs/dbraw/zinc/65/00/53/185650053.db2.gz ZITLNWAAYWGPGK-UHFFFAOYSA-N 1 2 264.373 2.322 10 0 CEAELO CCn1cc[nH+]c1[C@H](NN)c1cccc2ncccc21 ZINC000097736730 185658532 /nfs/dbraw/zinc/65/85/32/185658532.db2.gz ZFUITEYMJYFDKR-CQSZACIVSA-N 1 2 267.336 2.004 10 0 CEAELO C[NH2+][C@@](C)(C[C@H](C)Oc1cc(C)ccc1F)C(=O)OC ZINC000085560557 179094786 /nfs/dbraw/zinc/09/47/86/179094786.db2.gz PTBXWDASODCJLM-NHYWBVRUSA-N 1 2 283.343 2.443 10 0 CEAELO COC(=O)c1cccnc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000599626005 346547752 /nfs/dbraw/zinc/54/77/52/346547752.db2.gz CHODTHAGZULPFJ-SNVBAGLBSA-N 1 2 284.306 2.488 10 0 CEAELO COC(=O)c1cccnc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599626005 346547756 /nfs/dbraw/zinc/54/77/56/346547756.db2.gz CHODTHAGZULPFJ-SNVBAGLBSA-N 1 2 284.306 2.488 10 0 CEAELO CCNc1nc(C[NH+](C)C)nc(C)c1Br ZINC000085801251 179173844 /nfs/dbraw/zinc/17/38/44/179173844.db2.gz WZNDSARLXUGOPL-UHFFFAOYSA-N 1 2 273.178 2.041 10 0 CEAELO CC(C)[NH+]1CCN(c2nc3c(s2)CCCC3=O)CC1 ZINC000086441402 179292875 /nfs/dbraw/zinc/29/28/75/179292875.db2.gz CUEJVDXYWLDBBT-UHFFFAOYSA-N 1 2 279.409 2.193 10 0 CEAELO C[NH+](C)c1ccc(N[C@@H]2CCC[C@H]2S(C)(=O)=O)cc1 ZINC000086672297 179317921 /nfs/dbraw/zinc/31/79/21/179317921.db2.gz HZVXBWPZPWGALM-ZIAGYGMSSA-N 1 2 282.409 2.130 10 0 CEAELO CCS(=O)(=O)CCC[NH2+]c1ccc(OC)c(C)c1 ZINC000086974094 179371659 /nfs/dbraw/zinc/37/16/59/179371659.db2.gz ZALVPDFBQUGOLL-UHFFFAOYSA-N 1 2 271.382 2.240 10 0 CEAELO COc1ccc([C@H]([NH2+]Cc2ccccc2)C(N)=O)cc1F ZINC000086992562 179375428 /nfs/dbraw/zinc/37/54/28/179375428.db2.gz VSFBTZHVDDOANS-HNNXBMFYSA-N 1 2 288.322 2.151 10 0 CEAELO C[C@H](CCC[C@H](C)[NH2+]CCCn1cc[nH+]c1)C(=O)[O-] ZINC000087679326 179469714 /nfs/dbraw/zinc/46/97/14/179469714.db2.gz GXFGXBQBDPNTBZ-OLZOCXBDSA-N 1 2 267.373 2.142 10 0 CEAELO COC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000616632398 348540956 /nfs/dbraw/zinc/54/09/56/348540956.db2.gz OEGBDKOUNYJGIO-NSHDSACASA-N 1 2 254.717 2.053 10 0 CEAELO c1ccc(CN2CC[NH2+][C@H](c3ccccn3)C2)cc1 ZINC000616631889 348540977 /nfs/dbraw/zinc/54/09/77/348540977.db2.gz HWWVTKWRCKFFRI-INIZCTEOSA-N 1 2 253.349 2.228 10 0 CEAELO NC(=O)c1cccc([C@@H]2COCC[N@@H+]2Cc2ccccc2)c1 ZINC000616638247 348542851 /nfs/dbraw/zinc/54/28/51/348542851.db2.gz GJHBAAYHARSRGM-KRWDZBQOSA-N 1 2 296.370 2.359 10 0 CEAELO NC(=O)c1cccc([C@@H]2COCC[N@H+]2Cc2ccccc2)c1 ZINC000616638247 348542854 /nfs/dbraw/zinc/54/28/54/348542854.db2.gz GJHBAAYHARSRGM-KRWDZBQOSA-N 1 2 296.370 2.359 10 0 CEAELO c1ccc(C[N@@H+]2CCO[C@H](c3cccnn3)C2)cc1 ZINC000616642691 348544391 /nfs/dbraw/zinc/54/43/91/348544391.db2.gz HTOOBXUAEJSGNK-HNNXBMFYSA-N 1 2 255.321 2.050 10 0 CEAELO c1ccc(C[N@H+]2CCO[C@H](c3cccnn3)C2)cc1 ZINC000616642691 348544392 /nfs/dbraw/zinc/54/43/92/348544392.db2.gz HTOOBXUAEJSGNK-HNNXBMFYSA-N 1 2 255.321 2.050 10 0 CEAELO COC(=O)N1CCc2ccccc2[C@H]1c1cc[nH+]c(N)c1 ZINC000616583497 348526314 /nfs/dbraw/zinc/52/63/14/348526314.db2.gz DHEWJRMHHBVOOH-OAHLLOKOSA-N 1 2 283.331 2.208 10 0 CEAELO Nc1[nH+]cccc1[C@@H]1CCc2ccccc2N1CCO ZINC000616594300 348528218 /nfs/dbraw/zinc/52/82/18/348528218.db2.gz PEGADLPEMMLMIM-HNNXBMFYSA-N 1 2 269.348 2.150 10 0 CEAELO CCOC(=O)N1CC[NH2+][C@@H](c2nccc3ccccc32)C1 ZINC000616600150 348529921 /nfs/dbraw/zinc/52/99/21/348529921.db2.gz DYLPMQOCFLLEBC-CQSZACIVSA-N 1 2 285.347 2.338 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1c1ccon1 ZINC000616610551 348534168 /nfs/dbraw/zinc/53/41/68/348534168.db2.gz TWWVEHUWYNAQGO-LBPRGKRZSA-N 1 2 281.356 2.336 10 0 CEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1c1ccon1 ZINC000616610551 348534171 /nfs/dbraw/zinc/53/41/71/348534171.db2.gz TWWVEHUWYNAQGO-LBPRGKRZSA-N 1 2 281.356 2.336 10 0 CEAELO [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1C(=O)[O-] ZINC000616679908 348559034 /nfs/dbraw/zinc/55/90/34/348559034.db2.gz HNYKXFMREBMXHH-KRWDZBQOSA-N 1 2 296.370 2.291 10 0 CEAELO [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1C(=O)[O-] ZINC000616679908 348559036 /nfs/dbraw/zinc/55/90/36/348559036.db2.gz HNYKXFMREBMXHH-KRWDZBQOSA-N 1 2 296.370 2.291 10 0 CEAELO [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616692359 348562915 /nfs/dbraw/zinc/56/29/15/348562915.db2.gz OIBDQNFLALPCMY-KRWDZBQOSA-N 1 2 296.370 2.291 10 0 CEAELO [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616692359 348562917 /nfs/dbraw/zinc/56/29/17/348562917.db2.gz OIBDQNFLALPCMY-KRWDZBQOSA-N 1 2 296.370 2.291 10 0 CEAELO c1ncn(-c2ccccc2NCc2c[nH+]cn2C2CC2)n1 ZINC000091274845 180118712 /nfs/dbraw/zinc/11/87/12/180118712.db2.gz LBTUFSMHJWEMMF-UHFFFAOYSA-N 1 2 280.335 2.411 10 0 CEAELO Cn1nc(C[C@@H](O)c2c[nH+]cn2C2CC2)c2ccccc21 ZINC000091277397 180120178 /nfs/dbraw/zinc/12/01/78/180120178.db2.gz OAWDWHUTEPTCCB-MRXNPFEDSA-N 1 2 282.347 2.381 10 0 CEAELO CCc1nn(C)c(C[C@H](O)c2c[nH+]cn2C2CC2)c1Cl ZINC000091277570 180120370 /nfs/dbraw/zinc/12/03/70/180120370.db2.gz LPXOQJPVTWSSNT-ZDUSSCGKSA-N 1 2 294.786 2.443 10 0 CEAELO COCc1ccccc1-c1nc(C)c(F)c(NN)[nH+]1 ZINC000091501913 180175365 /nfs/dbraw/zinc/17/53/65/180175365.db2.gz XWIWDCSVIGOIIZ-UHFFFAOYSA-N 1 2 262.288 2.023 10 0 CEAELO Cc1nc(-c2cc(F)c(F)c(F)c2)[nH+]c(NN)c1F ZINC000091501332 180174794 /nfs/dbraw/zinc/17/47/94/180174794.db2.gz GGUMQJOTZXTCCY-UHFFFAOYSA-N 1 2 272.205 2.294 10 0 CEAELO C[C@@H]1CCC[C@@H](C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000091565486 180193442 /nfs/dbraw/zinc/19/34/42/180193442.db2.gz RTDPTXJDTUIFED-CHWSQXEVSA-N 1 2 253.386 2.493 10 0 CEAELO C[N@@H+]1CCO[C@H](CNc2nc3cc(F)ccc3s2)C1 ZINC000091675302 180225488 /nfs/dbraw/zinc/22/54/88/180225488.db2.gz DFRZJEUXQFYVKV-SNVBAGLBSA-N 1 2 281.356 2.178 10 0 CEAELO C[N@H+]1CCO[C@H](CNc2nc3cc(F)ccc3s2)C1 ZINC000091675302 180225489 /nfs/dbraw/zinc/22/54/89/180225489.db2.gz DFRZJEUXQFYVKV-SNVBAGLBSA-N 1 2 281.356 2.178 10 0 CEAELO Nc1c[nH+]ccc1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000092210327 180344718 /nfs/dbraw/zinc/34/47/18/180344718.db2.gz ZDBMJJFYFHAFST-CYBMUJFWSA-N 1 2 271.345 2.319 10 0 CEAELO COC(=O)[C@@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275145 180356752 /nfs/dbraw/zinc/35/67/52/180356752.db2.gz KCZHGHYXFHOFIE-ZJUUUORDSA-N 1 2 251.351 2.027 10 0 CEAELO CCc1noc([C@H](C)N2CC[NH+](C/C=C/Cl)CC2)n1 ZINC000105916593 186090073 /nfs/dbraw/zinc/09/00/73/186090073.db2.gz YMBWDYLTHVBQFF-ZWNMCFTASA-N 1 2 284.791 2.063 10 0 CEAELO COC(=O)[C@H](C)[NH2+]Cc1cc(C)nc2ccccc12 ZINC000092345654 180366289 /nfs/dbraw/zinc/36/62/89/180366289.db2.gz UBHFMELRXIGUCX-NSHDSACASA-N 1 2 258.321 2.194 10 0 CEAELO CCNc1cccc(CN2CCC[C@@H]2C(=O)OCC)[nH+]1 ZINC000092368711 180369632 /nfs/dbraw/zinc/36/96/32/180369632.db2.gz GMZNCCBQUGXYOO-CYBMUJFWSA-N 1 2 277.368 2.041 10 0 CEAELO Cc1cnn(C[C@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)c1 ZINC000105891550 186084879 /nfs/dbraw/zinc/08/48/79/186084879.db2.gz JWXYAOBURLNIFN-MRXNPFEDSA-N 1 2 289.354 2.232 10 0 CEAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)c1 ZINC000105891550 186084880 /nfs/dbraw/zinc/08/48/80/186084880.db2.gz JWXYAOBURLNIFN-MRXNPFEDSA-N 1 2 289.354 2.232 10 0 CEAELO Cc1nnc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)o1 ZINC000105895161 186085481 /nfs/dbraw/zinc/08/54/81/186085481.db2.gz DDPPIIAAKJQARA-LBPRGKRZSA-N 1 2 275.356 2.065 10 0 CEAELO Cc1nnc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)o1 ZINC000105895161 186085483 /nfs/dbraw/zinc/08/54/83/186085483.db2.gz DDPPIIAAKJQARA-LBPRGKRZSA-N 1 2 275.356 2.065 10 0 CEAELO CC(C)n1nnnc1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000106862654 186142497 /nfs/dbraw/zinc/14/24/97/186142497.db2.gz NGSHDBWGIDDTLJ-LBPRGKRZSA-N 1 2 271.368 2.373 10 0 CEAELO CC(C)n1nnnc1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000106862654 186142498 /nfs/dbraw/zinc/14/24/98/186142498.db2.gz NGSHDBWGIDDTLJ-LBPRGKRZSA-N 1 2 271.368 2.373 10 0 CEAELO CNc1nc(N(C)CCSC)[nH+]cc1Br ZINC000133262802 187674773 /nfs/dbraw/zinc/67/47/73/187674773.db2.gz OERGFPZHDIRHRM-UHFFFAOYSA-N 1 2 291.218 2.080 10 0 CEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1OC(F)F ZINC000073604200 363233126 /nfs/dbraw/zinc/23/31/26/363233126.db2.gz DJEOCUUUFUJBGE-GFCCVEGCSA-N 1 2 298.333 2.341 10 0 CEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1OC(F)F ZINC000073604200 363233130 /nfs/dbraw/zinc/23/31/30/363233130.db2.gz DJEOCUUUFUJBGE-GFCCVEGCSA-N 1 2 298.333 2.341 10 0 CEAELO C[C@H](CC1CCCC1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000074692509 363372613 /nfs/dbraw/zinc/37/26/13/363372613.db2.gz FQVATOOKJMUPBP-KGLIPLIRSA-N 1 2 282.428 2.040 10 0 CEAELO Cc1cccc(CCC(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000074785180 363391599 /nfs/dbraw/zinc/39/15/99/363391599.db2.gz AQPCSKFDAAIGEA-UHFFFAOYSA-N 1 2 269.348 2.167 10 0 CEAELO Cc1csc(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)n1 ZINC000220604509 538816574 /nfs/dbraw/zinc/81/65/74/538816574.db2.gz OWUOEMVONQJFGE-VIFPVBQESA-N 1 2 276.365 2.227 10 0 CEAELO Cc1csc(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)n1 ZINC000220604509 538816582 /nfs/dbraw/zinc/81/65/82/538816582.db2.gz OWUOEMVONQJFGE-VIFPVBQESA-N 1 2 276.365 2.227 10 0 CEAELO COc1c(N)[nH+]cnc1N[C@@H](C)COCc1ccccc1 ZINC000390816414 540397830 /nfs/dbraw/zinc/39/78/30/540397830.db2.gz LPYDNFIRAUECNS-NSHDSACASA-N 1 2 288.351 2.085 10 0 CEAELO COc1c(N)nc[nH+]c1N[C@@H](C)COCc1ccccc1 ZINC000390816414 540397834 /nfs/dbraw/zinc/39/78/34/540397834.db2.gz LPYDNFIRAUECNS-NSHDSACASA-N 1 2 288.351 2.085 10 0 CEAELO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H](c2nccs2)C1 ZINC000329454923 202343435 /nfs/dbraw/zinc/34/34/35/202343435.db2.gz PREBWELBDHRMTE-LLVKDONJSA-N 1 2 290.392 2.205 10 0 CEAELO CC(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176592058 189000938 /nfs/dbraw/zinc/00/09/38/189000938.db2.gz HJTADFOKNPOIHW-OLZOCXBDSA-N 1 2 296.436 2.282 10 0 CEAELO CC(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176592058 189000939 /nfs/dbraw/zinc/00/09/39/189000939.db2.gz HJTADFOKNPOIHW-OLZOCXBDSA-N 1 2 296.436 2.282 10 0 CEAELO Cc1cc(N[C@H]2CCCn3ncnc32)nc(C2CC2)[nH+]1 ZINC000176854499 189011198 /nfs/dbraw/zinc/01/11/98/189011198.db2.gz BBBKVGDYJOQRDK-NSHDSACASA-N 1 2 270.340 2.201 10 0 CEAELO CCc1oc(C(=O)OC)cc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000176977796 189018327 /nfs/dbraw/zinc/01/83/27/189018327.db2.gz GFBJGENYXINVGD-GHMZBOCLSA-N 1 2 281.352 2.238 10 0 CEAELO O=C(c1cccc(F)c1F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177799889 189070765 /nfs/dbraw/zinc/07/07/65/189070765.db2.gz 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C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183269663 165390295 /nfs/dbraw/zinc/39/02/95/165390295.db2.gz WPMSYXBHOLPPDT-QLFBSQMISA-N 1 2 296.455 2.286 10 0 CEAELO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)n1cc[nH+]c1 ZINC000022172450 171368684 /nfs/dbraw/zinc/36/86/84/171368684.db2.gz NTKFIPGIHVSBIQ-QMMMGPOBSA-N 1 2 264.716 2.318 10 0 CEAELO CC[NH+](CC)CCCn1c(=O)c2sccc2[nH]c1=S ZINC000035698323 172367235 /nfs/dbraw/zinc/36/72/35/172367235.db2.gz FJSKAIPWKDFNCH-UHFFFAOYSA-N 1 2 297.449 2.479 10 0 CEAELO COC(=O)[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037303294 173108776 /nfs/dbraw/zinc/10/87/76/173108776.db2.gz ZDYKRPSJWWRFLH-TVQRCGJNSA-N 1 2 251.301 2.428 10 0 CEAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1CCC[NH+](C)C ZINC000037309493 173112937 /nfs/dbraw/zinc/11/29/37/173112937.db2.gz DDZKPRKOLYERKO-UHFFFAOYSA-N 1 2 275.352 2.249 10 0 CEAELO O=C([O-])[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccsc2)CC1 ZINC000038042746 174047507 /nfs/dbraw/zinc/04/75/07/174047507.db2.gz CUIJVQOMIVAODR-CQSZACIVSA-N 1 2 294.420 2.262 10 0 CEAELO O=C([O-])[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccsc2)CC1 ZINC000038042746 174047509 /nfs/dbraw/zinc/04/75/09/174047509.db2.gz CUIJVQOMIVAODR-CQSZACIVSA-N 1 2 294.420 2.262 10 0 CEAELO COc1ccc([C@@H](C)[NH2+]Cc2csnn2)cc1OC ZINC000040490984 174291632 /nfs/dbraw/zinc/29/16/32/174291632.db2.gz USIYSUDLOWRECG-SECBINFHSA-N 1 2 279.365 2.406 10 0 CEAELO CCNc1nc[nH+]c(N(C)Cc2ccccc2)c1N ZINC000040662152 174365948 /nfs/dbraw/zinc/36/59/48/174365948.db2.gz XGZUBXDIJVEDNO-UHFFFAOYSA-N 1 2 257.341 2.127 10 0 CEAELO CNc1[nH+]cnc(Nc2ccc(C(C)=O)cc2)c1N ZINC000040706990 174379591 /nfs/dbraw/zinc/37/95/91/174379591.db2.gz RUIZEQSPCXSGAP-UHFFFAOYSA-N 1 2 257.297 2.047 10 0 CEAELO CNc1nc[nH+]c(Nc2ccc(C(C)=O)cc2)c1N ZINC000040706990 174379593 /nfs/dbraw/zinc/37/95/93/174379593.db2.gz RUIZEQSPCXSGAP-UHFFFAOYSA-N 1 2 257.297 2.047 10 0 CEAELO Cc1cccc2sc(Nc3nc[nH+]c(N)c3N)nc21 ZINC000040723948 174385783 /nfs/dbraw/zinc/38/57/83/174385783.db2.gz BOKQPKGGCBJTQW-UHFFFAOYSA-N 1 2 272.337 2.303 10 0 CEAELO CCN(Cc1ccc(C)cc1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000662862274 414779837 /nfs/dbraw/zinc/77/98/37/414779837.db2.gz JAFPWQCDPWGUJK-CYBMUJFWSA-N 1 2 282.334 2.341 10 0 CEAELO O=C([O-])c1ccoc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000042277596 174673945 /nfs/dbraw/zinc/67/39/45/174673945.db2.gz LPKATPPGKXHULY-UHFFFAOYSA-N 1 2 292.379 2.428 10 0 CEAELO Cc1noc(C[NH2+]Cc2ccc(Cl)c(F)c2)n1 ZINC000043389909 175033771 /nfs/dbraw/zinc/03/37/71/175033771.db2.gz FEYNOZAVAHJDJJ-UHFFFAOYSA-N 1 2 255.680 2.460 10 0 CEAELO Cc1c(C)n(C[C@@H]2CCCOC2)c2nc(C)[nH+]c(N)c12 ZINC000044982621 175283565 /nfs/dbraw/zinc/28/35/65/175283565.db2.gz BHLXKFQIPBTHBF-LBPRGKRZSA-N 1 2 274.368 2.365 10 0 CEAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@@H](C)[NH+](C)C ZINC000045108971 175308652 /nfs/dbraw/zinc/30/86/52/175308652.db2.gz CQMSXDMQXGHRFX-SNVBAGLBSA-N 1 2 275.352 2.247 10 0 CEAELO Clc1nsnc1NCCCCn1cc[nH+]c1 ZINC000045112735 175310332 /nfs/dbraw/zinc/31/03/32/175310332.db2.gz IQKJSNRNNBWAEN-UHFFFAOYSA-N 1 2 257.750 2.280 10 0 CEAELO CC(C)C[NH+](CC(C)C)C[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045273753 175344096 /nfs/dbraw/zinc/34/40/96/175344096.db2.gz VFEVAEFWODFCRC-HNNXBMFYSA-N 1 2 270.417 2.196 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274668 175345207 /nfs/dbraw/zinc/34/52/07/175345207.db2.gz KFADLMADPZPMPL-FZMZJTMJSA-N 1 2 258.406 2.194 10 0 CEAELO CC(C)[NH2+][C@@](C)(C[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274668 175345208 /nfs/dbraw/zinc/34/52/08/175345208.db2.gz KFADLMADPZPMPL-FZMZJTMJSA-N 1 2 258.406 2.194 10 0 CEAELO CCCCC[N@H+](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045278542 175348763 /nfs/dbraw/zinc/34/87/63/175348763.db2.gz ADYRRWMLGUADOA-OAHLLOKOSA-N 1 2 270.417 2.482 10 0 CEAELO CCCCC[N@@H+](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045278542 175348764 /nfs/dbraw/zinc/34/87/64/175348764.db2.gz ADYRRWMLGUADOA-OAHLLOKOSA-N 1 2 270.417 2.482 10 0 CEAELO CCC[NH2+][C@@H](CN1c2ccccc2C[C@@H]1C)C(=O)OCC ZINC000045368920 175363670 /nfs/dbraw/zinc/36/36/70/175363670.db2.gz NVCZFWUBUZATRP-ZFWWWQNUSA-N 1 2 290.407 2.369 10 0 CEAELO COC(=O)[C@](C)(Cc1ccc(OC)cc1)[NH2+]CC1CC1 ZINC000071169766 176050690 /nfs/dbraw/zinc/05/06/90/176050690.db2.gz LTNMSJZJCMFRDO-INIZCTEOSA-N 1 2 277.364 2.169 10 0 CEAELO Cc1ncsc1CNc1[nH+]c(C)ccc1C(N)=S ZINC000071213670 176085470 /nfs/dbraw/zinc/08/54/70/176085470.db2.gz INAHLNBPIBIROK-UHFFFAOYSA-N 1 2 278.406 2.401 10 0 CEAELO CCCNc1ccncc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000071228052 176090533 /nfs/dbraw/zinc/09/05/33/176090533.db2.gz CEAXUIUUYFCISJ-UHFFFAOYSA-N 1 2 292.364 2.099 10 0 CEAELO Cc1ccc(N)c(C(=O)Nc2ccc[nH+]c2N(C)C)c1 ZINC000071383015 176146073 /nfs/dbraw/zinc/14/60/73/176146073.db2.gz ZRBYFMUIKADAIX-UHFFFAOYSA-N 1 2 270.336 2.291 10 0 CEAELO Cc1ccn2cc(CC(=O)Nc3ccc(F)cn3)[nH+]c2c1 ZINC000071529750 176194559 /nfs/dbraw/zinc/19/45/59/176194559.db2.gz PZLQJSHZWVSNHB-UHFFFAOYSA-N 1 2 284.294 2.358 10 0 CEAELO Cc1ccn2cc(CC(=O)NC3CCCC3)[nH+]c2c1 ZINC000071541201 176195510 /nfs/dbraw/zinc/19/55/10/176195510.db2.gz WBTQXASGZCXVQY-UHFFFAOYSA-N 1 2 257.337 2.244 10 0 CEAELO COc1[nH+]ccc(N(C)C)c1NC(=O)c1cccs1 ZINC000076716194 177068994 /nfs/dbraw/zinc/06/89/94/177068994.db2.gz GDRSEMKOXNTMIQ-UHFFFAOYSA-N 1 2 277.349 2.470 10 0 CEAELO Cc1ccccc1CN(C)C(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000077368916 177259392 /nfs/dbraw/zinc/25/93/92/177259392.db2.gz BRDYSNLRLABQHJ-HUUCEWRRSA-N 1 2 290.407 2.063 10 0 CEAELO Cc1ccc(C(=O)NCCc2c[nH+]c[nH]2)cc1Cl ZINC000078740783 177379900 /nfs/dbraw/zinc/37/99/00/177379900.db2.gz ROWPJZIDNRHLAV-UHFFFAOYSA-N 1 2 263.728 2.344 10 0 CEAELO Cc1ccc(C(=O)NCCc2c[nH]c[nH+]2)cc1Cl ZINC000078740783 177379901 /nfs/dbraw/zinc/37/99/01/177379901.db2.gz ROWPJZIDNRHLAV-UHFFFAOYSA-N 1 2 263.728 2.344 10 0 CEAELO CSC[C@H](O)C[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000187910569 270255978 /nfs/dbraw/zinc/25/59/78/270255978.db2.gz DPLZVTFEZNESNT-LLVKDONJSA-N 1 2 297.424 2.030 10 0 CEAELO C[C@@H]([NH2+]Cc1c[nH]nn1)C12CC3CC(CC(C3)C1)C2 ZINC000398378861 270357926 /nfs/dbraw/zinc/35/79/26/270357926.db2.gz SZOVKKARVLLFLC-QFGHMXTESA-N 1 2 260.385 2.499 10 0 CEAELO C[C@@H]([NH2+]Cc1cn[nH]n1)C12CC3CC(CC(C3)C1)C2 ZINC000398378861 270357927 /nfs/dbraw/zinc/35/79/27/270357927.db2.gz SZOVKKARVLLFLC-QFGHMXTESA-N 1 2 260.385 2.499 10 0 CEAELO CCOCC[N@@H+]1CCN(C(=O)c2ccc(C)s2)C[C@H]1C ZINC000117275533 276321456 /nfs/dbraw/zinc/32/14/56/276321456.db2.gz UAWLFWGEVXAKIY-GFCCVEGCSA-N 1 2 296.436 2.239 10 0 CEAELO CCOCC[N@H+]1CCN(C(=O)c2ccc(C)s2)C[C@H]1C ZINC000117275533 276321458 /nfs/dbraw/zinc/32/14/58/276321458.db2.gz UAWLFWGEVXAKIY-GFCCVEGCSA-N 1 2 296.436 2.239 10 0 CEAELO Cc1oncc1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000128535102 279890145 /nfs/dbraw/zinc/89/01/45/279890145.db2.gz FRHMCYNFNZZXAD-UHFFFAOYSA-N 1 2 298.346 2.446 10 0 CEAELO CC[C@@H]1CCCCCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000119275493 280235860 /nfs/dbraw/zinc/23/58/60/280235860.db2.gz USHGNWMBEUWZCE-HUUCEWRRSA-N 1 2 297.443 2.071 10 0 CEAELO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@](C)(O)CC)n1 ZINC000249428447 280396811 /nfs/dbraw/zinc/39/68/11/280396811.db2.gz YPGFCHUXUYXNDT-GXFFZTMASA-N 1 2 287.429 2.477 10 0 CEAELO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@](C)(O)CC)n1 ZINC000249428447 280396812 /nfs/dbraw/zinc/39/68/12/280396812.db2.gz YPGFCHUXUYXNDT-GXFFZTMASA-N 1 2 287.429 2.477 10 0 CEAELO CC1=C[C@](O)(c2ccccc2)[C@H]([NH+]2CCCCC2)N1O ZINC000005296535 281697622 /nfs/dbraw/zinc/69/76/22/281697622.db2.gz MJVFRFVYDHCADO-CVEARBPZSA-N 1 2 274.364 2.295 10 0 CEAELO C[C@@H](CNC(=O)C[C@H]1CCCCC1(C)C)[NH+]1CCOCC1 ZINC000156980139 289205928 /nfs/dbraw/zinc/20/59/28/289205928.db2.gz HTUBTNKWOUXGMK-LSDHHAIUSA-N 1 2 296.455 2.430 10 0 CEAELO Cc1nsc(N2CCc3c([nH+]c(C(C)C)n3C)C2)n1 ZINC000266462559 294005767 /nfs/dbraw/zinc/00/57/67/294005767.db2.gz YWOIRLHMRKHGSL-UHFFFAOYSA-N 1 2 277.397 2.266 10 0 CEAELO CCC[NH2+][C@@](C)(CSc1cc(C)nn1C)C(=O)OCC ZINC000052311844 520038988 /nfs/dbraw/zinc/03/89/88/520038988.db2.gz PPWGSPXBCUDNME-AWEZNQCLSA-N 1 2 299.440 2.142 10 0 CEAELO CCC[NH2+][C@H](CCN(C)c1ccccc1)C(=O)OCC ZINC000062440631 520072829 /nfs/dbraw/zinc/07/28/29/520072829.db2.gz QRYUEEUDQMQTLC-OAHLLOKOSA-N 1 2 278.396 2.444 10 0 CEAELO CCC[NH2+][C@](COCC(F)(F)F)(C(=O)OCC)C1CC1 ZINC000069196836 520121886 /nfs/dbraw/zinc/12/18/86/520121886.db2.gz IQMALULQYKGBSH-LBPRGKRZSA-N 1 2 297.317 2.277 10 0 CEAELO CC[NH2+][C@@](C[N@H+](C)[C@@H](C)C(C)(C)C)(C(=O)[O-])C1CC1 ZINC000069101055 520148317 /nfs/dbraw/zinc/14/83/17/520148317.db2.gz XTHVUWOGCHVTHO-XHDPSFHLSA-N 1 2 270.417 2.196 10 0 CEAELO CC[NH2+][C@@](C[N@@H+](C)[C@@H](C)C(C)(C)C)(C(=O)[O-])C1CC1 ZINC000069101055 520148327 /nfs/dbraw/zinc/14/83/27/520148327.db2.gz XTHVUWOGCHVTHO-XHDPSFHLSA-N 1 2 270.417 2.196 10 0 CEAELO CC[NH2+][C@H](CCN(C)c1ccc(F)cc1)C(=O)OCC ZINC000062528072 520186485 /nfs/dbraw/zinc/18/64/85/520186485.db2.gz OKNULGZXYOIQRS-CQSZACIVSA-N 1 2 282.359 2.193 10 0 CEAELO CC(C)(C)c1[nH]n(C(C)(C)C)c(=O)c1CCC[NH3+] ZINC000069506825 518600032 /nfs/dbraw/zinc/60/00/32/518600032.db2.gz QDGTWFIDQMUMMI-JTQLQIEISA-N 1 2 253.390 2.384 10 0 CEAELO CCCNC(=O)[C@@H](C)NC1=[NH+][C@H](CC(C)C)CS1 ZINC000049221942 519888350 /nfs/dbraw/zinc/88/83/50/519888350.db2.gz BQGULSLAIFIJBV-GHMZBOCLSA-N 1 2 271.430 2.008 10 0 CEAELO CCNC(=O)c1ccc(NCc2c[nH+]c(C)[nH]2)cc1 ZINC000054822042 519895931 /nfs/dbraw/zinc/89/59/31/519895931.db2.gz VJSCZFKYNJCVKS-UHFFFAOYSA-N 1 2 258.325 2.080 10 0 CEAELO CCNC(=O)c1ccc(NCc2c[nH]c(C)[nH+]2)cc1 ZINC000054822042 519895934 /nfs/dbraw/zinc/89/59/34/519895934.db2.gz VJSCZFKYNJCVKS-UHFFFAOYSA-N 1 2 258.325 2.080 10 0 CEAELO CCN(C(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000052856592 519914756 /nfs/dbraw/zinc/91/47/56/519914756.db2.gz XYOVGOUCVNZTLP-KBPBESRZSA-N 1 2 282.428 2.277 10 0 CEAELO CC[NH2+][C@@H](CCN(C)c1ccc(F)cc1)C(=O)OCC ZINC000062528069 520087115 /nfs/dbraw/zinc/08/71/15/520087115.db2.gz OKNULGZXYOIQRS-AWEZNQCLSA-N 1 2 282.359 2.193 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc(C)cc1OC)C(=O)OCC ZINC000062551155 520093110 /nfs/dbraw/zinc/09/31/10/520093110.db2.gz CLUXFQPWTRVLBZ-ZDUSSCGKSA-N 1 2 295.379 2.314 10 0 CEAELO CC[NH2+][C@@](C[NH+]1CCCCCCC1)(C(=O)[O-])C1CC1 ZINC000069090784 520154687 /nfs/dbraw/zinc/15/46/87/520154687.db2.gz RQCRHSXLZDAPHE-OAHLLOKOSA-N 1 2 268.401 2.095 10 0 CEAELO CC[NH2+][C@H](CCO[C@H](C)CC(C)C)C(=O)OCC ZINC000062544971 520191626 /nfs/dbraw/zinc/19/16/26/520191626.db2.gz AHHRLZZQXSCASG-CHWSQXEVSA-N 1 2 259.390 2.369 10 0 CEAELO CCCNc1ncccc1C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000052727346 520196508 /nfs/dbraw/zinc/19/65/08/520196508.db2.gz OCKLUTWFRFFKOF-AWEZNQCLSA-N 1 2 290.411 2.004 10 0 CEAELO CCCNc1ncccc1C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000052727346 520196510 /nfs/dbraw/zinc/19/65/10/520196510.db2.gz OCKLUTWFRFFKOF-AWEZNQCLSA-N 1 2 290.411 2.004 10 0 CEAELO CC[NH2+][C@](C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)(C(=O)[O-])C1CC1 ZINC000069100560 520246867 /nfs/dbraw/zinc/24/68/67/520246867.db2.gz CITJMSIFOGEUNA-VBQJREDUSA-N 1 2 294.439 2.341 10 0 CEAELO CC[NH2+][C@](C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)(C(=O)[O-])C1CC1 ZINC000069100560 520246872 /nfs/dbraw/zinc/24/68/72/520246872.db2.gz CITJMSIFOGEUNA-VBQJREDUSA-N 1 2 294.439 2.341 10 0 CEAELO CC[NH2+][C@](COc1ccc(OC)cc1)(C(=O)OC)C1CC1 ZINC000069197749 520251624 /nfs/dbraw/zinc/25/16/24/520251624.db2.gz NABSWQQQGZVUOT-INIZCTEOSA-N 1 2 293.363 2.005 10 0 CEAELO CCNc1ccc(Cn2c3ccccc3oc2=O)c[nH+]1 ZINC000050829045 520317169 /nfs/dbraw/zinc/31/71/69/520317169.db2.gz QZEPUIAKKLKZSW-UHFFFAOYSA-N 1 2 269.304 2.470 10 0 CEAELO CCO[C@@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCOCC2 ZINC000184102768 520375913 /nfs/dbraw/zinc/37/59/13/520375913.db2.gz UNNLPVHATHUKLI-CHWSQXEVSA-N 1 2 277.368 2.171 10 0 CEAELO CCNc1[nH+]cccc1Cn1cnc2ccsc2c1=O ZINC000052733307 520377100 /nfs/dbraw/zinc/37/71/00/520377100.db2.gz UITFKNNNCZBNOJ-UHFFFAOYSA-N 1 2 286.360 2.333 10 0 CEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000184260889 520588890 /nfs/dbraw/zinc/58/88/90/520588890.db2.gz QUEBNJNUOYCPCD-UONOGXRCSA-N 1 2 294.395 2.266 10 0 CEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000184260889 520588897 /nfs/dbraw/zinc/58/88/97/520588897.db2.gz QUEBNJNUOYCPCD-UONOGXRCSA-N 1 2 294.395 2.266 10 0 CEAELO CCCCOCCO[C@H](C)C[C@@](C)([NH2+]CC)C(=O)OC ZINC000068653042 520792207 /nfs/dbraw/zinc/79/22/07/520792207.db2.gz SEOYAQXXGYXCPL-UKRRQHHQSA-N 1 2 289.416 2.140 10 0 CEAELO CCOC(=O)[C@@](C)(Cn1ncc2ccccc21)[NH2+]C(C)C ZINC000050528225 521154271 /nfs/dbraw/zinc/15/42/71/521154271.db2.gz ZVNLGAASZNSZEF-MRXNPFEDSA-N 1 2 289.379 2.356 10 0 CEAELO CCOC(=O)[C@@](CN(C)c1ccc(F)cc1)([NH2+]C)C1CC1 ZINC000069231143 521164464 /nfs/dbraw/zinc/16/44/64/521164464.db2.gz DWJUPFIJNOMFMZ-INIZCTEOSA-N 1 2 294.370 2.193 10 0 CEAELO CCOC(=O)[C@@](CN(C)c1ccc(C)cc1)([NH2+]C)C1CC1 ZINC000069231428 521164518 /nfs/dbraw/zinc/16/45/18/521164518.db2.gz FASSWMYHVUBHDD-KRWDZBQOSA-N 1 2 290.407 2.363 10 0 CEAELO CCOC(=O)[C@@](CS[C@@H](C)CC)([NH2+]C)C1CC1 ZINC000069185198 521170044 /nfs/dbraw/zinc/17/00/44/521170044.db2.gz 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/nfs/dbraw/zinc/56/69/53/521566953.db2.gz JXKSKDWUAISLAP-INIZCTEOSA-N 1 2 293.363 2.005 10 0 CEAELO CCc1[nH+]c(-c2ccccc2OC(F)F)c(N)n1N ZINC000052838695 522149552 /nfs/dbraw/zinc/14/95/52/522149552.db2.gz HBHXZHCZHAFKRX-UHFFFAOYSA-N 1 2 268.267 2.010 10 0 CEAELO C[NH2+][C@@](C)(C[C@@H](C)Oc1ccc(C)cc1OC)C(=O)OC ZINC000068657143 522417282 /nfs/dbraw/zinc/41/72/82/522417282.db2.gz BUPOZFSCOOYATJ-WBMJQRKESA-N 1 2 295.379 2.312 10 0 CEAELO C[NH2+][C@@](C[NH+]1CCC(C(C)(C)C)CC1)(C(=O)[O-])C1CC1 ZINC000069231561 522424547 /nfs/dbraw/zinc/42/45/47/522424547.db2.gz SABNNFZUSHRQLA-MRXNPFEDSA-N 1 2 282.428 2.197 10 0 CEAELO C[NH2+][C@@](COCC1CCCCC1)(C(=O)OC)C1CC1 ZINC000069198467 522429072 /nfs/dbraw/zinc/42/90/72/522429072.db2.gz FMFNYVLBISQYFO-OAHLLOKOSA-N 1 2 269.385 2.125 10 0 CEAELO C[NH2+][C@H](c1nnc(CC(F)(F)F)o1)c1ccccc1 ZINC000050617972 522488246 /nfs/dbraw/zinc/48/82/46/522488246.db2.gz HVBCYMHDGNPUFU-JTQLQIEISA-N 1 2 271.242 2.483 10 0 CEAELO C[NH2+][C@](C)(C[C@@H](C)Oc1ccc(F)c(F)c1)C(=O)OC ZINC000068657791 522520479 /nfs/dbraw/zinc/52/04/79/522520479.db2.gz FHJPUFBFBYKESM-YMTOWFKASA-N 1 2 287.306 2.273 10 0 CEAELO C[NH2+][C@](CSc1nc(C)cs1)(C(=O)OC)C1CC1 ZINC000069187847 522532236 /nfs/dbraw/zinc/53/22/36/522532236.db2.gz NAVSVDOEOXJHQD-LBPRGKRZSA-N 1 2 286.422 2.085 10 0 CEAELO CNc1[nH+]cnc2c1cnn2-c1cc(C)cc(C)c1 ZINC000062367035 522715153 /nfs/dbraw/zinc/71/51/53/522715153.db2.gz FTCZMADVDNKRNH-UHFFFAOYSA-N 1 2 253.309 2.474 10 0 CEAELO COc1ccc(-c2nc(N)c3c([nH+]2)CCC3)cc1OC ZINC000050844655 523227298 /nfs/dbraw/zinc/22/72/98/523227298.db2.gz ZLYHJZPKINOLPR-UHFFFAOYSA-N 1 2 271.320 2.232 10 0 CEAELO COC(=O)[C@@H](CCO[C@H](C)CC(C)C)[NH2+]C(C)C ZINC000062545064 523576123 /nfs/dbraw/zinc/57/61/23/523576123.db2.gz KBZUTWMELVWJJV-CHWSQXEVSA-N 1 2 259.390 2.367 10 0 CEAELO COc1ccc(C(=O)Nc2cc[nH+]cc2N)cc1F ZINC000062725820 523760885 /nfs/dbraw/zinc/76/08/85/523760885.db2.gz DIDCOGIASVDXSY-UHFFFAOYSA-N 1 2 261.256 2.064 10 0 CEAELO COC(=O)[C@@](COC1CCCCC1)([NH2+]C1CC1)C1CC1 ZINC000069196775 523824167 /nfs/dbraw/zinc/82/41/67/523824167.db2.gz BPQMCIYVUWTHLX-INIZCTEOSA-N 1 2 281.396 2.410 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)Cc1ccco1 ZINC000062770390 523895292 /nfs/dbraw/zinc/89/52/92/523895292.db2.gz FVFMUGADOPURMG-YPMHNXCESA-N 1 2 253.342 2.388 10 0 CEAELO COC(=O)[C@H](CCN(C)c1cccc(OC)c1)[NH2+]C(C)C ZINC000062528444 523898200 /nfs/dbraw/zinc/89/82/00/523898200.db2.gz LXKFMPLEDNAHAD-HNNXBMFYSA-N 1 2 294.395 2.061 10 0 CEAELO COC(=O)[C@H](CCN1CCCc2ccccc21)[NH2+]C1CC1 ZINC000062442819 523898567 /nfs/dbraw/zinc/89/85/67/523898567.db2.gz JRRKXCQOBNJTAT-HNNXBMFYSA-N 1 2 288.391 2.123 10 0 CEAELO COC(=O)[C@H](CCOCCCC(C)C)[NH2+]C(C)C ZINC000062543131 523900412 /nfs/dbraw/zinc/90/04/12/523900412.db2.gz FTMPQOXRPDVBQQ-ZDUSSCGKSA-N 1 2 259.390 2.369 10 0 CEAELO COC(=O)[C@](C)(CCOc1cc(F)cc(F)c1)[NH2+]C1CC1 ZINC000054934159 523998946 /nfs/dbraw/zinc/99/89/46/523998946.db2.gz XBBNCIADSNVILX-HNNXBMFYSA-N 1 2 299.317 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2.424 10 0 CEAELO Cc1[nH+]c(-c2cccc(Cl)c2Cl)c(N)n1N ZINC000052838535 526583875 /nfs/dbraw/zinc/58/38/75/526583875.db2.gz LNYJQVGUYDMTEC-UHFFFAOYSA-N 1 2 257.124 2.461 10 0 CEAELO c1[nH]cc(-c2ccc(NCc3ccncn3)cc2)[nH+]1 ZINC000054789304 526592605 /nfs/dbraw/zinc/59/26/05/526592605.db2.gz IJKGXJBPAXJFEG-UHFFFAOYSA-N 1 2 251.293 2.479 10 0 CEAELO O=C(c1cccc2[nH]ccc21)N1CCn2cc[nH+]c2C1 ZINC000062329305 526780022 /nfs/dbraw/zinc/78/00/22/526780022.db2.gz JJHDYULKHZVHET-UHFFFAOYSA-N 1 2 266.304 2.020 10 0 CEAELO Cc1occc1C[N@@H+](C)Cc1cccnc1C(N)=S ZINC000061659822 526825426 /nfs/dbraw/zinc/82/54/26/526825426.db2.gz RBWUBXKDJFOWRF-UHFFFAOYSA-N 1 2 275.377 2.249 10 0 CEAELO Cc1occc1C[N@H+](C)Cc1cccnc1C(N)=S ZINC000061659822 526825433 /nfs/dbraw/zinc/82/54/33/526825433.db2.gz RBWUBXKDJFOWRF-UHFFFAOYSA-N 1 2 275.377 2.249 10 0 CEAELO Clc1nc(NC2CCCCC2)nc(-n2cc[nH+]c2)n1 ZINC000061535908 527005045 /nfs/dbraw/zinc/00/50/45/527005045.db2.gz HGMHLJRGYHFCEN-UHFFFAOYSA-N 1 2 278.747 2.455 10 0 CEAELO NC(=O)c1cc(N)ccc1[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050601547 527028257 /nfs/dbraw/zinc/02/82/57/527028257.db2.gz JTBKRCAODHMUCM-ZDUSSCGKSA-N 1 2 281.359 2.362 10 0 CEAELO NC(=O)c1cc(N)ccc1[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050601547 527028264 /nfs/dbraw/zinc/02/82/64/527028264.db2.gz JTBKRCAODHMUCM-ZDUSSCGKSA-N 1 2 281.359 2.362 10 0 CEAELO NC(=S)c1ccc[nH+]c1NC[C@H]1Cc2ccccc2O1 ZINC000051087395 527122139 /nfs/dbraw/zinc/12/21/39/527122139.db2.gz JFIIQUSEVNFSTE-LLVKDONJSA-N 1 2 285.372 2.131 10 0 CEAELO Cc1[nH+]c2ccccc2n1CC[C@@H]([NH2+]C(C)C)C(=O)[O-] ZINC000062534800 527172073 /nfs/dbraw/zinc/17/20/73/527172073.db2.gz FWYYKCJYPQUBHZ-CYBMUJFWSA-N 1 2 275.352 2.186 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1cc(S(C)(=O)=O)ccc1Cl ZINC000054794927 527214438 /nfs/dbraw/zinc/21/44/38/527214438.db2.gz WIGRRXXGNKZBMK-UHFFFAOYSA-N 1 2 299.783 2.387 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccccc1C(=O)N(C)C ZINC000054796068 527216171 /nfs/dbraw/zinc/21/61/71/527216171.db2.gz FNNQCDJHGYTWMM-UHFFFAOYSA-N 1 2 258.325 2.032 10 0 CEAELO Nc1c(-c2ccc(F)cc2F)[nH+]c(C2CC2)n1N ZINC000052839078 527423836 /nfs/dbraw/zinc/42/38/36/527423836.db2.gz YJJVBJRCZVUBFT-UHFFFAOYSA-N 1 2 250.252 2.002 10 0 CEAELO Nc1nc(N2CCOCC2)[nH+]cc1-c1ccc(Cl)cc1 ZINC000061675341 527556908 /nfs/dbraw/zinc/55/69/08/527556908.db2.gz DJDIEODISCZSQV-UHFFFAOYSA-N 1 2 290.754 2.216 10 0 CEAELO CCCNc1cc(N[C@H](C)[C@H]2CCCO2)[nH+]cn1 ZINC000129375225 651934848 /nfs/dbraw/zinc/93/48/48/651934848.db2.gz HOSFSADHRQDICN-GHMZBOCLSA-N 1 2 250.346 2.278 10 0 CEAELO CCCNc1cc(N[C@H](C)[C@H]2CCCO2)nc[nH+]1 ZINC000129375225 651934845 /nfs/dbraw/zinc/93/48/45/651934845.db2.gz HOSFSADHRQDICN-GHMZBOCLSA-N 1 2 250.346 2.278 10 0 CEAELO COc1ccc(C(=O)Nc2cc[nH+]c(C)c2)c(N)c1 ZINC000082698015 178197274 /nfs/dbraw/zinc/19/72/74/178197274.db2.gz HZQXWEWAXHWQJZ-UHFFFAOYSA-N 1 2 257.293 2.233 10 0 CEAELO Cc1[nH+]c2ccccn2c1CCC(=O)NCc1ccco1 ZINC000096771776 185111967 /nfs/dbraw/zinc/11/19/67/185111967.db2.gz SFJREDOLHZQRNT-UHFFFAOYSA-N 1 2 283.331 2.485 10 0 CEAELO C[C@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H](C)O1 ZINC000127061547 539241905 /nfs/dbraw/zinc/24/19/05/539241905.db2.gz CWNKHWQBVUMURV-RYUDHWBXSA-N 1 2 251.374 2.247 10 0 CEAELO CCn1cc[nH+]c1C[S@@](=O)c1ccc(F)c(F)c1 ZINC000177293057 529582755 /nfs/dbraw/zinc/58/27/55/529582755.db2.gz JDDUTUXBNMTURG-GOSISDBHSA-N 1 2 270.304 2.489 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@@H](C)C1)C2 ZINC000220574814 539258197 /nfs/dbraw/zinc/25/81/97/539258197.db2.gz PHTPVVGCEBQTGU-PWSUYJOCSA-N 1 2 261.369 2.082 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H](C)C1)CC2 ZINC000220574814 539258198 /nfs/dbraw/zinc/25/81/98/539258198.db2.gz PHTPVVGCEBQTGU-PWSUYJOCSA-N 1 2 261.369 2.082 10 0 CEAELO [NH3+][C@H](C(=O)OCc1ccccc1)c1ccc(O)cc1 ZINC000059241478 343652071 /nfs/dbraw/zinc/65/20/71/343652071.db2.gz JPQIAKOVZUIGCU-AWEZNQCLSA-N 1 2 257.289 2.135 10 0 CEAELO CC[NH2+][C@H](c1cnn(C)c1)c1occc1Br ZINC000083573095 178583028 /nfs/dbraw/zinc/58/30/28/178583028.db2.gz LACGLOCLOQDAFB-SNVBAGLBSA-N 1 2 284.157 2.475 10 0 CEAELO C[N@H+](CCc1c(F)cccc1Cl)Cc1nnc[nH]1 ZINC000177132723 529932502 /nfs/dbraw/zinc/93/25/02/529932502.db2.gz CQIZLXPWCMSWGH-UHFFFAOYSA-N 1 2 268.723 2.272 10 0 CEAELO C[N@@H+](CCc1c(F)cccc1Cl)Cc1nnc[nH]1 ZINC000177132723 529932503 /nfs/dbraw/zinc/93/25/03/529932503.db2.gz CQIZLXPWCMSWGH-UHFFFAOYSA-N 1 2 268.723 2.272 10 0 CEAELO CCOC(=O)c1cc2cc(C[NH+]3CCOCC3)ccc2o1 ZINC000118432954 344291452 /nfs/dbraw/zinc/29/14/52/344291452.db2.gz VYTPRHAJDAPINY-UHFFFAOYSA-N 1 2 289.331 2.442 10 0 CEAELO C[C@@H]1CC[NH2+]C2(CN(C(=O)OC(C)(C)C)C2)S1 ZINC000159171943 344453784 /nfs/dbraw/zinc/45/37/84/344453784.db2.gz LTZWWGYWAQHASQ-SECBINFHSA-N 1 2 258.387 2.048 10 0 CEAELO CN(Cc1ccco1)c1cc(N[C@H]2CCCOC2)[nH+]cn1 ZINC000328655184 344757813 /nfs/dbraw/zinc/75/78/13/344757813.db2.gz YCPKRKVRTFYWFF-LBPRGKRZSA-N 1 2 288.351 2.297 10 0 CEAELO CN(Cc1ccco1)c1cc(N[C@H]2CCCOC2)nc[nH+]1 ZINC000328655184 344757815 /nfs/dbraw/zinc/75/78/15/344757815.db2.gz YCPKRKVRTFYWFF-LBPRGKRZSA-N 1 2 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CC(C)c1[nH+]c2c(n1C)CCN(C(=O)COC(C)(C)C)C2 ZINC000181792595 368495195 /nfs/dbraw/zinc/49/51/95/368495195.db2.gz AUTXOQYYUYPEJH-UHFFFAOYSA-N 1 2 293.411 2.243 10 0 CEAELO CCn1c(C)nnc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186630883 369010794 /nfs/dbraw/zinc/01/07/94/369010794.db2.gz GVSICQZDIYCYOD-KRWDZBQOSA-N 1 2 298.390 2.238 10 0 CEAELO CCn1c(C)nnc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186630883 369010796 /nfs/dbraw/zinc/01/07/96/369010796.db2.gz GVSICQZDIYCYOD-KRWDZBQOSA-N 1 2 298.390 2.238 10 0 CEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCC[C@H]1C)C2 ZINC000163988755 541719445 /nfs/dbraw/zinc/71/94/45/541719445.db2.gz YJKXCXKHWDMGQL-ZYHUDNBSSA-N 1 2 261.369 2.224 10 0 CEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCC[C@H]1C)CC2 ZINC000163988755 541719449 /nfs/dbraw/zinc/71/94/49/541719449.db2.gz YJKXCXKHWDMGQL-ZYHUDNBSSA-N 1 2 261.369 2.224 10 0 CEAELO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1cccs1 ZINC000192796463 369854461 /nfs/dbraw/zinc/85/44/61/369854461.db2.gz IXWWWJQNVUAFEU-QMMMGPOBSA-N 1 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394839796 /nfs/dbraw/zinc/83/97/96/394839796.db2.gz BFSDXMHXTGKMKD-LBPRGKRZSA-N 1 2 292.404 2.100 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000193062213 395399421 /nfs/dbraw/zinc/39/94/21/395399421.db2.gz RERFAQVBPZCSHF-CHWSQXEVSA-N 1 2 287.400 2.192 10 0 CEAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000193062213 395399425 /nfs/dbraw/zinc/39/94/25/395399425.db2.gz RERFAQVBPZCSHF-CHWSQXEVSA-N 1 2 287.400 2.192 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000189106363 153083217 /nfs/dbraw/zinc/08/32/17/153083217.db2.gz ULGLTEHJSOHFFN-SNVBAGLBSA-N 1 2 286.297 2.416 10 0 CEAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000189106363 153083220 /nfs/dbraw/zinc/08/32/20/153083220.db2.gz ULGLTEHJSOHFFN-SNVBAGLBSA-N 1 2 286.297 2.416 10 0 CEAELO CCC[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000194618826 153260667 /nfs/dbraw/zinc/26/06/67/153260667.db2.gz TXQYHHGHZHEPRU-CVEARBPZSA-N 1 2 290.407 2.017 10 0 CEAELO CCC[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000194618826 153260672 /nfs/dbraw/zinc/26/06/72/153260672.db2.gz TXQYHHGHZHEPRU-CVEARBPZSA-N 1 2 290.407 2.017 10 0 CEAELO CCC[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000194618851 153263444 /nfs/dbraw/zinc/26/34/44/153263444.db2.gz TXQYHHGHZHEPRU-JKSUJKDBSA-N 1 2 290.407 2.017 10 0 CEAELO CCC[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000194618851 153263446 /nfs/dbraw/zinc/26/34/46/153263446.db2.gz TXQYHHGHZHEPRU-JKSUJKDBSA-N 1 2 290.407 2.017 10 0 CEAELO CCn1c(C)nnc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000195019523 153273251 /nfs/dbraw/zinc/27/32/51/153273251.db2.gz QAEVZQCZJBDPHI-JTQLQIEISA-N 1 2 276.306 2.381 10 0 CEAELO CCn1c(C)nnc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000195019523 153273255 /nfs/dbraw/zinc/27/32/55/153273255.db2.gz QAEVZQCZJBDPHI-JTQLQIEISA-N 1 2 276.306 2.381 10 0 CEAELO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507999 153290606 /nfs/dbraw/zinc/29/06/06/153290606.db2.gz BVUVBZXMVKEDFD-OLZOCXBDSA-N 1 2 292.427 2.282 10 0 CEAELO C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000263299131 154052979 /nfs/dbraw/zinc/05/29/79/154052979.db2.gz WVDFFTUVVVROOZ-HQJQHLMTSA-N 1 2 281.262 2.064 10 0 CEAELO Cc1cnn([C@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC000171621754 165052381 /nfs/dbraw/zinc/05/23/81/165052381.db2.gz JCDMZLWYYALJRL-ZDUSSCGKSA-N 1 2 262.382 2.485 10 0 CEAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC000171621754 165052384 /nfs/dbraw/zinc/05/23/84/165052384.db2.gz JCDMZLWYYALJRL-ZDUSSCGKSA-N 1 2 262.382 2.485 10 0 CEAELO CCCC[C@H](CCC)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000175603196 165140626 /nfs/dbraw/zinc/14/06/26/165140626.db2.gz JOTWJMWBPILHOS-CABCVRRESA-N 1 2 299.459 2.365 10 0 CEAELO CCn1cc[nH+]c1CS(=O)(=O)c1ccc(C)cc1C ZINC000177506879 165199954 /nfs/dbraw/zinc/19/99/54/165199954.db2.gz ASYRNLYTGXIRDZ-UHFFFAOYSA-N 1 2 278.377 2.494 10 0 CEAELO CC(C)n1nnnc1C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000177829132 165208875 /nfs/dbraw/zinc/20/88/75/165208875.db2.gz MOBGXZMNDLNYKJ-WFASDCNBSA-N 1 2 271.368 2.447 10 0 CEAELO CC(C)n1nnnc1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000177829132 165208876 /nfs/dbraw/zinc/20/88/76/165208876.db2.gz MOBGXZMNDLNYKJ-WFASDCNBSA-N 1 2 271.368 2.447 10 0 CEAELO Cc1csc([C@@H]([NH2+]Cc2nnnn2C(C)C)C2CC2)n1 ZINC000181619095 165352705 /nfs/dbraw/zinc/35/27/05/165352705.db2.gz SHBQBDXTNLSSCK-LBPRGKRZSA-N 1 2 292.412 2.260 10 0 CEAELO CO[C@@H]1C[C@@H](CO)N(c2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000284512712 196074656 /nfs/dbraw/zinc/07/46/56/196074656.db2.gz JIYCIDQSHYSRRM-NWDGAFQWSA-N 1 2 290.338 2.268 10 0 CEAELO COC(=O)c1ccc(C(=O)NC2=[NH+]CCC[C@H]2C)cc1 ZINC000020570001 171255652 /nfs/dbraw/zinc/25/56/52/171255652.db2.gz MQWYHKCPSLDCFQ-SNVBAGLBSA-N 1 2 274.320 2.031 10 0 CEAELO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)n1cc[nH+]c1 ZINC000022215280 171375215 /nfs/dbraw/zinc/37/52/15/171375215.db2.gz AUJABEULAKBIGM-QMMMGPOBSA-N 1 2 264.716 2.318 10 0 CEAELO COC(=O)[C@@H](C)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000035207747 172052671 /nfs/dbraw/zinc/05/26/71/172052671.db2.gz OLVVFGJUZJETQS-ZETCQYMHSA-N 1 2 254.236 2.124 10 0 CEAELO [NH3+]CCc1ccc(S(=O)(=O)Nc2ccccc2)s1 ZINC000035679139 172349487 /nfs/dbraw/zinc/34/94/87/172349487.db2.gz YVDXKEFUKBZOFX-UHFFFAOYSA-N 1 2 282.390 2.050 10 0 CEAELO Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)c[nH+]1 ZINC000037192082 173020991 /nfs/dbraw/zinc/02/09/91/173020991.db2.gz REJDMUIYYMREFJ-UHFFFAOYSA-N 1 2 299.355 2.052 10 0 CEAELO COC(=O)[C@](C)(CCc1ccc(O)cc1)[NH2+]C1CC1 ZINC000037514027 173245278 /nfs/dbraw/zinc/24/52/78/173245278.db2.gz FPDVJJZHMJBIND-HNNXBMFYSA-N 1 2 263.337 2.009 10 0 CEAELO CCOC(=O)[C@H]([NH2+][C@@H](C)CC)c1ccc(O)cc1 ZINC000038067855 174079859 /nfs/dbraw/zinc/07/98/59/174079859.db2.gz LCGXDPWCDCKHOG-GXFFZTMASA-N 1 2 251.326 2.385 10 0 CEAELO CCNc1[nH+]cnc(Nc2cccc(OC)c2)c1N ZINC000040687955 174375808 /nfs/dbraw/zinc/37/58/08/174375808.db2.gz ALHZPVCAUXWAGE-UHFFFAOYSA-N 1 2 259.313 2.243 10 0 CEAELO CCNc1nc[nH+]c(Nc2cccc(OC)c2)c1N ZINC000040687955 174375809 /nfs/dbraw/zinc/37/58/09/174375809.db2.gz ALHZPVCAUXWAGE-UHFFFAOYSA-N 1 2 259.313 2.243 10 0 CEAELO Cn1cc[nH+]c1CCNC(=O)c1cc(Cl)nc(Cl)c1 ZINC000040690782 174376798 /nfs/dbraw/zinc/37/67/98/174376798.db2.gz DACVNFCNBFMYNQ-UHFFFAOYSA-N 1 2 299.161 2.094 10 0 CEAELO Cc1cc(C)n(-c2nc[nH+]c(NCc3ccco3)c2N)n1 ZINC000040761490 174397160 /nfs/dbraw/zinc/39/71/60/174397160.db2.gz UVXJYRDZPKRURC-UHFFFAOYSA-N 1 2 284.323 2.066 10 0 CEAELO Cc1cc(CN[C@H](c2ccco2)c2[nH+]ccn2C)on1 ZINC000044986896 175284434 /nfs/dbraw/zinc/28/44/34/175284434.db2.gz KRXIIPIOFHVFPR-CYBMUJFWSA-N 1 2 272.308 2.189 10 0 CEAELO CCOC(=O)c1[nH+]c(C)n(CCOCCC(C)C)c1N ZINC000045109419 175309642 /nfs/dbraw/zinc/30/96/42/175309642.db2.gz HAVGLWNLEUCTOD-UHFFFAOYSA-N 1 2 283.372 2.013 10 0 CEAELO CC[NH2+][C@](C)(CN(CC)c1ccccc1C)C(=O)OC ZINC000045223000 175330835 /nfs/dbraw/zinc/33/08/35/175330835.db2.gz PAHIPNLCDRSPPR-MRXNPFEDSA-N 1 2 278.396 2.363 10 0 CEAELO CCOC(=O)[C@](C)(CCN(C)CC(F)(F)F)[NH2+]C(C)C ZINC000045272698 175342995 /nfs/dbraw/zinc/34/29/95/175342995.db2.gz FTMRVDLYZLRIOC-LBPRGKRZSA-N 1 2 298.349 2.190 10 0 CEAELO CCC[NH2+][C@@](C)(C[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273747 175343947 /nfs/dbraw/zinc/34/39/47/175343947.db2.gz GHAGXTXXJJXAGC-HNNXBMFYSA-N 1 2 272.433 2.443 10 0 CEAELO CCC[NH2+][C@@](C)(CCN(CC)CC(F)(F)F)C(=O)OC ZINC000045274138 175344305 /nfs/dbraw/zinc/34/43/05/175344305.db2.gz APLPMQPTXOSWHG-LBPRGKRZSA-N 1 2 298.349 2.192 10 0 CEAELO CC(C)C[NH+](CC(C)C)C[C@@H]([NH2+]C(C)C)C(=O)[O-] ZINC000045420346 175378432 /nfs/dbraw/zinc/37/84/32/175378432.db2.gz DEVJJEQDLIZTFA-CYBMUJFWSA-N 1 2 258.406 2.052 10 0 CEAELO O=C(NCc1[nH]cc[nH+]1)c1csc(-c2ccco2)n1 ZINC000070990390 176019607 /nfs/dbraw/zinc/01/96/07/176019607.db2.gz JUCYBRDLRKQXBD-UHFFFAOYSA-N 1 2 274.305 2.056 10 0 CEAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090974 176031438 /nfs/dbraw/zinc/03/14/38/176031438.db2.gz JAHLSLHRYWMZOS-JKSUJKDBSA-N 1 2 291.391 2.478 10 0 CEAELO Cc1ncsc1CNc1cc(C(N)=S)cc[nH+]1 ZINC000071213650 176085170 /nfs/dbraw/zinc/08/51/70/176085170.db2.gz XJGDHVMYYNRLOF-UHFFFAOYSA-N 1 2 264.379 2.093 10 0 CEAELO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C(N)=S)CCO1 ZINC000071265792 176099590 /nfs/dbraw/zinc/09/95/90/176099590.db2.gz UVQMJEFOUINAAC-GFCCVEGCSA-N 1 2 282.384 2.071 10 0 CEAELO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(N)=S)CCO1 ZINC000071265792 176099592 /nfs/dbraw/zinc/09/95/92/176099592.db2.gz UVQMJEFOUINAAC-GFCCVEGCSA-N 1 2 282.384 2.071 10 0 CEAELO Cn1cc[nH+]c1CN[C@@H](c1cccs1)c1nccn1C ZINC000071273265 176105069 /nfs/dbraw/zinc/10/50/69/176105069.db2.gz XIDNFRXDFCTISC-ZDUSSCGKSA-N 1 2 287.392 2.094 10 0 CEAELO Cn1cc[nH+]c1CNC(=O)c1cc2cc(N)ccc2s1 ZINC000071274835 176106067 /nfs/dbraw/zinc/10/60/67/176106067.db2.gz JPLNUZXTGQQHGJ-UHFFFAOYSA-N 1 2 286.360 2.147 10 0 CEAELO Cc1ccc2[nH+]c(CCNC(=O)C(C)(C)C)cn2c1 ZINC000071490497 176190050 /nfs/dbraw/zinc/19/00/50/176190050.db2.gz RTDUICVDJUBBGG-UHFFFAOYSA-N 1 2 259.353 2.348 10 0 CEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC(C2CCC2)CC1 ZINC000662630936 415913497 /nfs/dbraw/zinc/91/34/97/415913497.db2.gz IXSNGZMWAWCKRY-GFCCVEGCSA-N 1 2 272.339 2.022 10 0 CEAELO CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccn1)CC2 ZINC000077141964 177227786 /nfs/dbraw/zinc/22/77/86/177227786.db2.gz KBTXFKGGDVIEOA-UHFFFAOYSA-N 1 2 288.376 2.055 10 0 CEAELO CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccn1)CC2 ZINC000077141964 177227787 /nfs/dbraw/zinc/22/77/87/177227787.db2.gz KBTXFKGGDVIEOA-UHFFFAOYSA-N 1 2 288.376 2.055 10 0 CEAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCCC1=CCCCC1 ZINC000077366651 177258682 /nfs/dbraw/zinc/25/86/82/177258682.db2.gz SVRLBWDLKVLAEG-KBPBESRZSA-N 1 2 280.412 2.102 10 0 CEAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccncc1 ZINC000078612645 177360207 /nfs/dbraw/zinc/36/02/07/177360207.db2.gz UKYADYLLIRZRHR-NSHDSACASA-N 1 2 250.342 2.244 10 0 CEAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccncc1 ZINC000078612645 177360209 /nfs/dbraw/zinc/36/02/09/177360209.db2.gz UKYADYLLIRZRHR-NSHDSACASA-N 1 2 250.342 2.244 10 0 CEAELO O=C(NCCc1c[nH+]c[nH]1)c1ccc(-n2cccc2)cc1 ZINC000078723395 177375770 /nfs/dbraw/zinc/37/57/70/177375770.db2.gz HLXAEQYNUCTWRS-UHFFFAOYSA-N 1 2 280.331 2.173 10 0 CEAELO O=C(NCCc1c[nH]c[nH+]1)c1ccc(-n2cccc2)cc1 ZINC000078723395 177375772 /nfs/dbraw/zinc/37/57/72/177375772.db2.gz HLXAEQYNUCTWRS-UHFFFAOYSA-N 1 2 280.331 2.173 10 0 CEAELO CCc1sc(C(=O)NCCc2c[nH+]c[nH]2)cc1C ZINC000078723477 177375976 /nfs/dbraw/zinc/37/59/76/177375976.db2.gz HMYMEHXBEGRALX-UHFFFAOYSA-N 1 2 263.366 2.315 10 0 CEAELO CCc1sc(C(=O)NCCc2c[nH]c[nH+]2)cc1C ZINC000078723477 177375977 /nfs/dbraw/zinc/37/59/77/177375977.db2.gz HMYMEHXBEGRALX-UHFFFAOYSA-N 1 2 263.366 2.315 10 0 CEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC(C)(C)C)C2 ZINC000157279732 278074020 /nfs/dbraw/zinc/07/40/20/278074020.db2.gz RZPQWMJQIMCEFW-UHFFFAOYSA-N 1 2 278.400 2.410 10 0 CEAELO Cc1ncc(C[NH+]2CCN(Cc3cnoc3C)CC2)s1 ZINC000128534678 279890140 /nfs/dbraw/zinc/89/01/40/279890140.db2.gz BAPJAJJUZOBEKI-UHFFFAOYSA-N 1 2 292.408 2.066 10 0 CEAELO CCC(CC)(CC)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000153838878 289124629 /nfs/dbraw/zinc/12/46/29/289124629.db2.gz BLWRQNRUGWWRTN-AWEZNQCLSA-N 1 2 299.459 2.223 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)N(C)CC(F)(F)F)C(=O)OCC ZINC000068627575 520142135 /nfs/dbraw/zinc/14/21/35/520142135.db2.gz LZGMDAKONYBKFU-JQWIXIFHSA-N 1 2 298.349 2.190 10 0 CEAELO CCOC(=O)[C@@H](COc1cccc(F)c1F)[NH2+]C(C)C ZINC000062653867 521067045 /nfs/dbraw/zinc/06/70/45/521067045.db2.gz AZLKGZTYWVFSLM-LLVKDONJSA-N 1 2 287.306 2.273 10 0 CEAELO CCOC(=O)[C@](C)(C[C@@H](C)Sc1cc(C)nn1C)[NH2+]C ZINC000068640808 521322897 /nfs/dbraw/zinc/32/28/97/521322897.db2.gz CSJRNIISPSJILG-RISCZKNCSA-N 1 2 299.440 2.140 10 0 CEAELO CC(C)(C)c1[nH+]c(-c2cc(F)ccc2F)c(N)n1N ZINC000052839732 519089246 /nfs/dbraw/zinc/08/92/46/519089246.db2.gz XOAGICMYROMYJW-UHFFFAOYSA-N 1 2 266.295 2.422 10 0 CEAELO CC(C)C[N@H+](C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CC1 ZINC000069132021 519717960 /nfs/dbraw/zinc/71/79/60/519717960.db2.gz OGRYLSFCLIYDCL-MRXNPFEDSA-N 1 2 280.412 2.092 10 0 CEAELO CC(C)C[N@@H+](C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1)C1CC1 ZINC000069132021 519717961 /nfs/dbraw/zinc/71/79/61/519717961.db2.gz OGRYLSFCLIYDCL-MRXNPFEDSA-N 1 2 280.412 2.092 10 0 CEAELO CCC1CC[NH+](C[C@]([NH2+]C(C)C)(C(=O)[O-])C2CC2)CC1 ZINC000069183841 519859301 /nfs/dbraw/zinc/85/93/01/519859301.db2.gz ARVGLLYTLHFFEH-MRXNPFEDSA-N 1 2 282.428 2.340 10 0 CEAELO CCCc1[nH]n(Cc2cccc(C)c2)c(=O)c1CC[NH3+] ZINC000069506461 519893567 /nfs/dbraw/zinc/89/35/67/519893567.db2.gz AFYTUFKNEMVQOX-AWEZNQCLSA-N 1 2 273.380 2.458 10 0 CEAELO CCC[NH2+][C@@H](CCOc1cccc(OC)c1)C(=O)OCC ZINC000062548432 520004631 /nfs/dbraw/zinc/00/46/31/520004631.db2.gz HATVGROHKAINMS-HNNXBMFYSA-N 1 2 295.379 2.395 10 0 CEAELO CCC[NH2+][C@@H](Cn1nc(C)c(Cl)c1C)C(=O)OCC ZINC000050588186 520016222 /nfs/dbraw/zinc/01/62/22/520016222.db2.gz KOYSUROZPUFDSH-NSHDSACASA-N 1 2 287.791 2.085 10 0 CEAELO CCC[NH2+][C@H](CCOCCC(C)C)C(=O)OCC ZINC000062543941 520076493 /nfs/dbraw/zinc/07/64/93/520076493.db2.gz FAMUWPKNYKYYHC-CYBMUJFWSA-N 1 2 259.390 2.371 10 0 CEAELO CC[NH2+][C@@H](CCOc1cccc(OC)c1)C(=O)OCC ZINC000062548458 520092313 /nfs/dbraw/zinc/09/23/13/520092313.db2.gz FYMHVQWPVIQKTB-AWEZNQCLSA-N 1 2 281.352 2.005 10 0 CEAELO CC[NH2+][C@@H](CCOc1ccc2c(c1)CCCC2)C(=O)OC ZINC000062542230 520093469 /nfs/dbraw/zinc/09/34/69/520093469.db2.gz VCNIEWVNXSAEOV-INIZCTEOSA-N 1 2 291.391 2.485 10 0 CEAELO CCC[NH2+][C@](C)(COc1cccc(COC)c1)C(=O)OC ZINC000069508438 520109913 /nfs/dbraw/zinc/10/99/13/520109913.db2.gz ZLHAOWJSSZMGJQ-MRXNPFEDSA-N 1 2 295.379 2.143 10 0 CEAELO CC[NH2+][C@@](C)(C[C@@H](C)[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000068641943 520140211 /nfs/dbraw/zinc/14/02/11/520140211.db2.gz RNLNYLPLWGFBCI-WBMJQRKESA-N 1 2 276.380 2.234 10 0 CEAELO CC[NH2+][C@@](C)(C[C@H](C)Oc1ccc(OC)cc1)C(=O)OC ZINC000068656818 520146835 /nfs/dbraw/zinc/14/68/35/520146835.db2.gz DZPOVAGBVWVACB-LRDDRELGSA-N 1 2 295.379 2.394 10 0 CEAELO CC[NH2+][C@@](COc1ccc(F)c(F)c1)(C(=O)OC)C1CC1 ZINC000069198146 520158619 /nfs/dbraw/zinc/15/86/19/520158619.db2.gz FNCAKSKKCFMAPU-OAHLLOKOSA-N 1 2 299.317 2.275 10 0 CEAELO CC[NH2+][C@H](CCOc1ccc2c(c1)CCC2)C(=O)OCC ZINC000062545567 520193292 /nfs/dbraw/zinc/19/32/92/520193292.db2.gz ZCLOPMKZTVIZRT-MRXNPFEDSA-N 1 2 291.391 2.485 10 0 CEAELO CCCCSC[C@@]([NH2+]C)(C(=O)OCC)C1CC1 ZINC000069184207 520957297 /nfs/dbraw/zinc/95/72/97/520957297.db2.gz GIYWYLKWLPRMCB-ZDUSSCGKSA-N 1 2 259.415 2.451 10 0 CEAELO CCOC(=O)[C@@H](CCOCCCc1ccccc1)[NH2+]C ZINC000062595506 521058971 /nfs/dbraw/zinc/05/89/71/521058971.db2.gz HVDOOODNWSRHIZ-OAHLLOKOSA-N 1 2 279.380 2.177 10 0 CEAELO CCOC(=O)[C@@](C)(CCOC1CCC1)[NH2+]C(C)C ZINC000050521609 521145297 /nfs/dbraw/zinc/14/52/97/521145297.db2.gz RGZNAPWMBVOMBI-CQSZACIVSA-N 1 2 257.374 2.265 10 0 CEAELO CCOC(=O)[C@@](C)(CCOc1cc(F)cc(F)c1)[NH2+]C ZINC000054934052 521145363 /nfs/dbraw/zinc/14/53/63/521145363.db2.gz GYIDRSFZODAXSA-CQSZACIVSA-N 1 2 287.306 2.275 10 0 CEAELO CCOC(=O)[C@@](C)(C[C@H](C)Oc1ccccc1OC)[NH2+]C ZINC000068656591 521151432 /nfs/dbraw/zinc/15/14/32/521151432.db2.gz VBKOEHQVNVYWLV-BLLLJJGKSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@@](CO[C@H](C)CC(C)C)([NH2+]C)C1CC1 ZINC000069196533 521168828 /nfs/dbraw/zinc/16/88/28/521168828.db2.gz VBSCERQLXRRZND-DOMZBBRYSA-N 1 2 271.401 2.369 10 0 CEAELO CCOc1ccc(O[C@@H](C)C[C@](C)([NH2+]C)C(=O)OC)cc1 ZINC000068655140 521180037 /nfs/dbraw/zinc/18/00/37/521180037.db2.gz ZOIPGNWKUCFHLR-LRDDRELGSA-N 1 2 295.379 2.394 10 0 CEAELO CCOC(=O)[C@H](CCSCc1ccco1)[NH2+]C ZINC000062596492 521248241 /nfs/dbraw/zinc/24/82/41/521248241.db2.gz VXVOPSRIVVDMDS-NSHDSACASA-N 1 2 257.355 2.054 10 0 CEAELO CCOC(=O)[C@H](CCn1nc(C)c(C)c1C)[NH2+]C(C)C ZINC000062536695 521250351 /nfs/dbraw/zinc/25/03/51/521250351.db2.gz PAFLRVYUPUPHSL-AWEZNQCLSA-N 1 2 281.400 2.128 10 0 CEAELO CCOC(=O)[C@](C)(Cn1ncc2ccccc21)[NH2+]C(C)C ZINC000050528228 521324086 /nfs/dbraw/zinc/32/40/86/521324086.db2.gz ZVNLGAASZNSZEF-INIZCTEOSA-N 1 2 289.379 2.356 10 0 CEAELO CCOC(=O)[C@](CN(C)c1ccccc1)([NH2+]C)C1CC1 ZINC000069094343 521338786 /nfs/dbraw/zinc/33/87/86/521338786.db2.gz NBJAKKLTAKRBPK-MRXNPFEDSA-N 1 2 276.380 2.054 10 0 CEAELO CCOC(=O)[C@](COCC(F)(F)F)([NH2+]C1CC1)C1CC1 ZINC000069196830 521343116 /nfs/dbraw/zinc/34/31/16/521343116.db2.gz FMPSNNPOWDLWJG-GFCCVEGCSA-N 1 2 295.301 2.029 10 0 CEAELO CCCc1cc(N)nc(-c2ccc(O)c(OC)c2)[nH+]1 ZINC000050866591 521365530 /nfs/dbraw/zinc/36/55/30/521365530.db2.gz HNOYBPDDWSIYIQ-UHFFFAOYSA-N 1 2 259.309 2.393 10 0 CEAELO CCc1[nH+]c(-c2ccc(C(F)(F)F)cc2)c(N)n1N ZINC000052838719 522145197 /nfs/dbraw/zinc/14/51/97/522145197.db2.gz IHEPCNORRUSOSH-UHFFFAOYSA-N 1 2 270.258 2.427 10 0 CEAELO C[NH2+][C@@](CSc1ccc(OC)cc1)(C(=O)OC)C1CC1 ZINC000069186945 522432132 /nfs/dbraw/zinc/43/21/32/522432132.db2.gz XVAKXNDROLONMR-OAHLLOKOSA-N 1 2 295.404 2.329 10 0 CEAELO C[NH2+][C@H](CCOc1cccc2ccc(C)nc21)C(=O)OC ZINC000062594719 522463921 /nfs/dbraw/zinc/46/39/21/522463921.db2.gz BPHCCASPFSAOBZ-CYBMUJFWSA-N 1 2 288.347 2.073 10 0 CEAELO CNc1cc(CN2c3ccccc3O[C@@H](C)C2=O)cc[nH+]1 ZINC000052733282 522564757 /nfs/dbraw/zinc/56/47/57/522564757.db2.gz GBBLEOBGEZGMRZ-NSHDSACASA-N 1 2 283.331 2.437 10 0 CEAELO CNc1nc(C[N@H+](C)CCOC)nc2sc(C)c(C)c21 ZINC000050817494 522680345 /nfs/dbraw/zinc/68/03/45/522680345.db2.gz YQXAABBLWUUYOD-UHFFFAOYSA-N 1 2 294.424 2.428 10 0 CEAELO CNc1nc(C[N@@H+](C)CCOC)nc2sc(C)c(C)c21 ZINC000050817494 522680352 /nfs/dbraw/zinc/68/03/52/522680352.db2.gz YQXAABBLWUUYOD-UHFFFAOYSA-N 1 2 294.424 2.428 10 0 CEAELO CNc1nc(C[N@H+](C)C[C@H]2CCCO2)nc2sccc21 ZINC000050815886 522681040 /nfs/dbraw/zinc/68/10/40/522681040.db2.gz WGKINGHMJHQAQY-SNVBAGLBSA-N 1 2 292.408 2.344 10 0 CEAELO CNc1nc(C[N@@H+](C)C[C@H]2CCCO2)nc2sccc21 ZINC000050815886 522681047 /nfs/dbraw/zinc/68/10/47/522681047.db2.gz WGKINGHMJHQAQY-SNVBAGLBSA-N 1 2 292.408 2.344 10 0 CEAELO CNc1[nH+]cccc1CN1c2ccccc2O[C@@H](C)C1=O ZINC000052733268 522710012 /nfs/dbraw/zinc/71/00/12/522710012.db2.gz OGEOGWTWANAKRL-NSHDSACASA-N 1 2 283.331 2.437 10 0 CEAELO COCc1cc(NN)[nH+]c(C(C)(C)c2ccc(F)cc2)n1 ZINC000069399148 522935964 /nfs/dbraw/zinc/93/59/64/522935964.db2.gz JYADTQKEUBGCNQ-UHFFFAOYSA-N 1 2 290.342 2.374 10 0 CEAELO CC[C@@H]1CCC[N@@H+]1C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069088305 523267403 /nfs/dbraw/zinc/26/74/03/523267403.db2.gz XMIXOBSDQMWOJB-UKRRQHHQSA-N 1 2 268.401 2.092 10 0 CEAELO CC[C@@H]1CCC[N@H+]1C[C@]([NH2+]C(C)C)(C(=O)[O-])C1CC1 ZINC000069088305 523267409 /nfs/dbraw/zinc/26/74/09/523267409.db2.gz XMIXOBSDQMWOJB-UKRRQHHQSA-N 1 2 268.401 2.092 10 0 CEAELO C[N@H+](Cc1cccnc1)Cc1nc2sccc2c(N)n1 ZINC000050813896 523418212 /nfs/dbraw/zinc/41/82/12/523418212.db2.gz ZPMZBUPVVDQANO-UHFFFAOYSA-N 1 2 285.376 2.301 10 0 CEAELO C[N@@H+](Cc1cccnc1)Cc1nc2sccc2c(N)n1 ZINC000050813896 523418216 /nfs/dbraw/zinc/41/82/16/523418216.db2.gz ZPMZBUPVVDQANO-UHFFFAOYSA-N 1 2 285.376 2.301 10 0 CEAELO CCn1cc[nH+]c1CN1C(=O)C(=O)c2cccc(Cl)c21 ZINC000054743669 523527641 /nfs/dbraw/zinc/52/76/41/523527641.db2.gz AJNSKUCDVRHWLW-UHFFFAOYSA-N 1 2 289.722 2.286 10 0 CEAELO CCn1cc[nH+]c1CN1C(=O)C(=O)c2ccc(Cl)cc21 ZINC000054743662 523530155 /nfs/dbraw/zinc/53/01/55/523530155.db2.gz HZBUHKRASJQQTO-UHFFFAOYSA-N 1 2 289.722 2.286 10 0 CEAELO CCn1ccnc1[C@@H]([NH3+])c1ccc2ccccc2n1 ZINC000069498892 523553545 /nfs/dbraw/zinc/55/35/45/523553545.db2.gz ZBSMNYYMVJCUBL-AWEZNQCLSA-N 1 2 252.321 2.499 10 0 CEAELO C[N@@H+](Cc1nc(N)ccc1Cl)C[C@@H]1CCCCO1 ZINC000061631621 523554992 /nfs/dbraw/zinc/55/49/92/523554992.db2.gz YHKDKZYKKNACQY-JTQLQIEISA-N 1 2 269.776 2.318 10 0 CEAELO C[N@H+](Cc1nc(N)ccc1Cl)C[C@@H]1CCCCO1 ZINC000061631621 523555001 /nfs/dbraw/zinc/55/50/01/523555001.db2.gz YHKDKZYKKNACQY-JTQLQIEISA-N 1 2 269.776 2.318 10 0 CEAELO COC(=O)[C@@](C)(COc1ccccc1F)[NH2+]C(C)C ZINC000045514661 523814837 /nfs/dbraw/zinc/81/48/37/523814837.db2.gz BKWNCGZKWDQDJG-CQSZACIVSA-N 1 2 269.316 2.134 10 0 CEAELO CCc1cc(NC)nc(-c2ccc3c(c2)OCO3)[nH+]1 ZINC000050865105 523819706 /nfs/dbraw/zinc/81/97/06/523819706.db2.gz NHBUCCOWDAJAON-UHFFFAOYSA-N 1 2 257.293 2.476 10 0 CEAELO COC(=O)[C@@](COCCC(C)C)([NH2+]C1CC1)C1CC1 ZINC000069196241 523823184 /nfs/dbraw/zinc/82/31/84/523823184.db2.gz UOQMBKUHNNUNKL-HNNXBMFYSA-N 1 2 269.385 2.123 10 0 CEAELO CN1CCCc2cc([C@H](O)c3ccc[nH+]c3N)ccc21 ZINC000070319250 523864830 /nfs/dbraw/zinc/86/48/30/523864830.db2.gz UGSDVWFLPSIWAR-HNNXBMFYSA-N 1 2 269.348 2.128 10 0 CEAELO COC(=O)[C@H](CCOc1ccc(F)cc1)[NH2+]C(C)C ZINC000062550025 523899794 /nfs/dbraw/zinc/89/97/94/523899794.db2.gz VGPQGSHNLWPBHR-ZDUSSCGKSA-N 1 2 269.316 2.134 10 0 CEAELO C[C@H](C[C@@](C)([NH3+])C(=O)[O-])n1cc[nH+]c1-c1ccccc1 ZINC000068649079 524630653 /nfs/dbraw/zinc/63/06/53/524630653.db2.gz CAMCWAVJAKMITP-IAQYHMDHSA-N 1 2 273.336 2.303 10 0 CEAELO Cc1ccc(N(C)C(=O)c2cccc(NN)[nH+]2)c(C)c1 ZINC000051117187 524884091 /nfs/dbraw/zinc/88/40/91/524884091.db2.gz RBVJCLCTOARKKG-UHFFFAOYSA-N 1 2 270.336 2.261 10 0 CEAELO Cc1ccc(NC(=O)c2cccc(NN)[nH+]2)cc1F ZINC000051096734 525244996 /nfs/dbraw/zinc/24/49/96/525244996.db2.gz PFRTUJJOXPGHAB-UHFFFAOYSA-N 1 2 260.272 2.067 10 0 CEAELO CSCCn1c2ccc(N)cc2[nH+]c1[C@H](C)O ZINC000069444328 525604041 /nfs/dbraw/zinc/60/40/41/525604041.db2.gz PPPKUFSMUQBRMV-QMMMGPOBSA-N 1 2 251.355 2.035 10 0 CEAELO Cc1ccc(C(=O)[O-])c(N[C@@H](C[NH+](C)C)C(C)C)[nH+]1 ZINC000054531023 526232476 /nfs/dbraw/zinc/23/24/76/526232476.db2.gz UOWFAKJZBYHVBR-LBPRGKRZSA-N 1 2 265.357 2.086 10 0 CEAELO O[C@H]1CCc2c1cccc2OCCCn1cc[nH+]c1 ZINC000062800586 526314446 /nfs/dbraw/zinc/31/44/46/526314446.db2.gz GNBJAQVQLLAFSZ-AWEZNQCLSA-N 1 2 258.321 2.332 10 0 CEAELO Cc1[nH+]c(-c2ccccc2C(F)(F)F)c(N)n1N ZINC000052838461 526605836 /nfs/dbraw/zinc/60/58/36/526605836.db2.gz IZJBTDKMZRJMJR-UHFFFAOYSA-N 1 2 256.231 2.173 10 0 CEAELO Cc1[nH]c(CNc2ccc(-c3nnco3)cc2)c[nH+]1 ZINC000054798590 526895371 /nfs/dbraw/zinc/89/53/71/526895371.db2.gz VBDZOYLVFIXVNE-UHFFFAOYSA-N 1 2 255.281 2.380 10 0 CEAELO Cc1[nH]cc(CNc2ccc(-c3nnco3)cc2)[nH+]1 ZINC000054798590 526895374 /nfs/dbraw/zinc/89/53/74/526895374.db2.gz VBDZOYLVFIXVNE-UHFFFAOYSA-N 1 2 255.281 2.380 10 0 CEAELO Cc1[nH]c(CNc2ccccc2N2CCOCC2)c[nH+]1 ZINC000054821939 526901726 /nfs/dbraw/zinc/90/17/26/526901726.db2.gz TVFWEMVJHINNOY-UHFFFAOYSA-N 1 2 272.352 2.167 10 0 CEAELO Cc1[nH]cc(CNc2ccccc2N2CCOCC2)[nH+]1 ZINC000054821939 526901730 /nfs/dbraw/zinc/90/17/30/526901730.db2.gz TVFWEMVJHINNOY-UHFFFAOYSA-N 1 2 272.352 2.167 10 0 CEAELO Clc1nc(NC2CCCC2)nc(-n2cc[nH+]c2)n1 ZINC000061536057 527005367 /nfs/dbraw/zinc/00/53/67/527005367.db2.gz LLQSMCKXGBLOGV-UHFFFAOYSA-N 1 2 264.720 2.065 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000054795042 527215995 /nfs/dbraw/zinc/21/59/95/527215995.db2.gz CWKORHQZMCOFKU-VIFPVBQESA-N 1 2 272.308 2.050 10 0 CEAELO Cc1[nH+]c[nH]c1CNc1ccccc1N1CCCC1=O ZINC000054794283 527216318 /nfs/dbraw/zinc/21/63/18/527216318.db2.gz HLDGGRDSAMUUAQ-UHFFFAOYSA-N 1 2 270.336 2.457 10 0 CEAELO [NH3+][C@@H](c1nnc([C@@H]2CCCCO2)o1)c1ccccc1 ZINC000050973764 527339931 /nfs/dbraw/zinc/33/99/31/527339931.db2.gz ACDMEBLFWIHETJ-NWDGAFQWSA-N 1 2 259.309 2.359 10 0 CEAELO Nc1c(-c2ccc3ncccc3c2)[nH+]c(C2CC2)n1N ZINC000069501653 527423376 /nfs/dbraw/zinc/42/33/76/527423376.db2.gz ILFNDGPRAVRYMT-UHFFFAOYSA-N 1 2 265.320 2.272 10 0 CEAELO Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)c[nH+]1 ZINC000061680399 527492584 /nfs/dbraw/zinc/49/25/84/527492584.db2.gz XMLVFNPWAPANPG-UHFFFAOYSA-N 1 2 261.712 2.498 10 0 CEAELO Nc1nc(-c2ccc3c(c2)CCO3)[nH+]c2c1CCC2 ZINC000050866191 527539522 /nfs/dbraw/zinc/53/95/22/527539522.db2.gz ZTLWNQKHWGWFNE-UHFFFAOYSA-N 1 2 253.305 2.149 10 0 CEAELO Nc1nc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cs1 ZINC000055185802 527547431 /nfs/dbraw/zinc/54/74/31/527547431.db2.gz FCPRUCYLKWDUSV-UHFFFAOYSA-N 1 2 299.359 2.222 10 0 CEAELO Brc1sccc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000706827166 570280391 /nfs/dbraw/zinc/28/03/91/570280391.db2.gz QSWTVBWSBVPYQC-QMMMGPOBSA-N 1 2 284.182 2.469 10 0 CEAELO Cc1cccc(-c2oncc2C[NH+]2CCOCC2)c1 ZINC000064551346 641325530 /nfs/dbraw/zinc/32/55/30/641325530.db2.gz OZXCNFPDEIARFA-UHFFFAOYSA-N 1 2 258.321 2.482 10 0 CEAELO