smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CCn1cccn1)[NH2+]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000159435615 206246321 /nfs/dbraw/zinc/24/63/21/206246321.db2.gz APADTLKGBHWESF-ULQDDVLXSA-N 1 2 328.460 3.387 10 70 EGIELO CCCCc1nc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)no1 ZINC000159483822 307874698 /nfs/dbraw/zinc/87/46/98/307874698.db2.gz GMMZOXLZJIZUGC-OAHLLOKOSA-N 1 2 346.450 3.430 10 70 EGIELO CCCCc1nc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)no1 ZINC000159483694 307874774 /nfs/dbraw/zinc/87/47/74/307874774.db2.gz GMMZOXLZJIZUGC-HNNXBMFYSA-N 1 2 346.450 3.430 10 70 EGIELO Cc1ccn(-c2ccccc2NC(=O)c2ccnc(-n3cc[nH+]c3)c2)n1 ZINC000161164057 455541986 /nfs/dbraw/zinc/54/19/86/455541986.db2.gz ZOQIGDKOFIJNBF-UHFFFAOYSA-N 1 2 344.378 3.014 10 70 EGIELO CC(C)c1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cn1 ZINC000161483791 455573847 /nfs/dbraw/zinc/57/38/47/455573847.db2.gz JMEYINIGTJFSQU-UHFFFAOYSA-N 1 2 328.803 3.436 10 70 EGIELO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000160588523 455477756 /nfs/dbraw/zinc/47/77/56/455477756.db2.gz LTYIALSUTUHOFO-KRWDZBQOSA-N 1 2 326.444 3.350 10 70 EGIELO COc1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000160588523 455477761 /nfs/dbraw/zinc/47/77/61/455477761.db2.gz LTYIALSUTUHOFO-KRWDZBQOSA-N 1 2 326.444 3.350 10 70 EGIELO C[N@H+](CCc1ccccn1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000161142776 455538957 /nfs/dbraw/zinc/53/89/57/455538957.db2.gz BBSRTZYGFSWPGA-UHFFFAOYSA-N 1 2 345.244 3.395 10 70 EGIELO C[N@@H+](CCc1ccccn1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000161142776 455538961 /nfs/dbraw/zinc/53/89/61/455538961.db2.gz BBSRTZYGFSWPGA-UHFFFAOYSA-N 1 2 345.244 3.395 10 70 EGIELO O=C(NCCC1=CCCC1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161111939 206329695 /nfs/dbraw/zinc/32/96/95/206329695.db2.gz COXPPKUARFVLRB-UHFFFAOYSA-N 1 2 329.444 3.141 10 70 EGIELO COc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccccc3)n1C)CC2 ZINC000160847694 455504382 /nfs/dbraw/zinc/50/43/82/455504382.db2.gz DCVMQCCZQZPXRZ-UHFFFAOYSA-N 1 2 334.423 3.049 10 70 EGIELO COc1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccccc3)n1C)CC2 ZINC000160847694 455504387 /nfs/dbraw/zinc/50/43/87/455504387.db2.gz DCVMQCCZQZPXRZ-UHFFFAOYSA-N 1 2 334.423 3.049 10 70 EGIELO CCCCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159900566 455413544 /nfs/dbraw/zinc/41/35/44/455413544.db2.gz QZAHDWRYBLUZDM-UONOGXRCSA-N 1 2 340.431 3.405 10 70 EGIELO C[C@@H](c1nnc(-c2ccccc2)o1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161206243 455547403 /nfs/dbraw/zinc/54/74/03/455547403.db2.gz SSNUUWLRLQIEIH-INIZCTEOSA-N 1 2 349.438 3.010 10 70 EGIELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1cc(-c2ccccc2)on1 ZINC000161211172 455548358 /nfs/dbraw/zinc/54/83/58/455548358.db2.gz DOHRESOPDVYOLK-UHFFFAOYSA-N 1 2 345.424 3.234 10 70 EGIELO O[C@@H](C[C@H]1COCC[N@@H+]1CCSc1ccccc1)c1ccco1 ZINC000159616062 206254982 /nfs/dbraw/zinc/25/49/82/206254982.db2.gz ZPBSDCJBIFZDSM-RDJZCZTQSA-N 1 2 333.453 3.196 10 70 EGIELO O[C@@H](C[C@H]1COCC[N@H+]1CCSc1ccccc1)c1ccco1 ZINC000159616062 206254987 /nfs/dbraw/zinc/25/49/87/206254987.db2.gz ZPBSDCJBIFZDSM-RDJZCZTQSA-N 1 2 333.453 3.196 10 70 EGIELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)Cc1ccccc1F)C2 ZINC000159985436 206273777 /nfs/dbraw/zinc/27/37/77/206273777.db2.gz UWAKQOLCSIAXLE-AWEZNQCLSA-N 1 2 343.446 3.446 10 70 EGIELO CSc1ccccc1NC(=O)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000160716485 206309449 /nfs/dbraw/zinc/30/94/49/206309449.db2.gz NEJUEXLTEQUSRS-UHFFFAOYSA-N 1 2 328.441 3.151 10 70 EGIELO CC[N@H+](C/C=C/c1ccccc1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159898012 455413765 /nfs/dbraw/zinc/41/37/65/455413765.db2.gz ZRPQSLOIUDTQJU-CSKARUKUSA-N 1 2 349.434 3.467 10 70 EGIELO CC[N@@H+](C/C=C/c1ccccc1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159898012 455413767 /nfs/dbraw/zinc/41/37/67/455413767.db2.gz ZRPQSLOIUDTQJU-CSKARUKUSA-N 1 2 349.434 3.467 10 70 EGIELO CC1(C)C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)c2ccccc2O1 ZINC000159948884 455417586 /nfs/dbraw/zinc/41/75/86/455417586.db2.gz RZIKPUMQXCGVIT-MRXNPFEDSA-N 1 2 348.406 3.300 10 70 EGIELO CCCc1noc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000159494007 455380578 /nfs/dbraw/zinc/38/05/78/455380578.db2.gz ASXPOXIQQMCWQD-CQSZACIVSA-N 1 2 332.423 3.040 10 70 EGIELO CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000159837397 455408142 /nfs/dbraw/zinc/40/81/42/455408142.db2.gz AZMNLLXGCLQEEV-GOSISDBHSA-N 1 2 325.456 3.279 10 70 EGIELO CC(=O)c1ccccc1NC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159736914 455399236 /nfs/dbraw/zinc/39/92/36/455399236.db2.gz KHNFSPICYAYPMU-UHFFFAOYSA-N 1 2 345.468 3.237 10 70 EGIELO CC(=O)c1ccccc1NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159736914 455399239 /nfs/dbraw/zinc/39/92/39/455399239.db2.gz KHNFSPICYAYPMU-UHFFFAOYSA-N 1 2 345.468 3.237 10 70 EGIELO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1)c1nccs1 ZINC000161083222 455531007 /nfs/dbraw/zinc/53/10/07/455531007.db2.gz SVKOLMSQAACYCZ-NHYWBVRUSA-N 1 2 331.441 3.414 10 70 EGIELO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C(C)=O)c1)c1nccs1 ZINC000161084506 455532051 /nfs/dbraw/zinc/53/20/51/455532051.db2.gz MFVBGCIBZPXHJW-ABAIWWIYSA-N 1 2 331.441 3.414 10 70 EGIELO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC)c1nccs1 ZINC000161160987 455542244 /nfs/dbraw/zinc/54/22/44/455542244.db2.gz NSROBNSTGFEHTL-YPMHNXCESA-N 1 2 349.456 3.228 10 70 EGIELO C[C@H](CCn1cccn1)[NH2+]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000159382440 206242972 /nfs/dbraw/zinc/24/29/72/206242972.db2.gz HWUQZAHQSYTNAR-AYOQOUSVSA-N 1 2 329.444 3.456 10 70 EGIELO C[C@H](CCn1cccn1)[NH2+]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000159382701 206243058 /nfs/dbraw/zinc/24/30/58/206243058.db2.gz HWUQZAHQSYTNAR-MNEFBYGVSA-N 1 2 329.444 3.456 10 70 EGIELO CC1(C)C[C@@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)c2ccccc2O1 ZINC000159828740 206264968 /nfs/dbraw/zinc/26/49/68/206264968.db2.gz ROGKRAYMXGPUFN-MRXNPFEDSA-N 1 2 348.406 3.300 10 70 EGIELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)Cc1ccccc1F)C2 ZINC000159985566 206272760 /nfs/dbraw/zinc/27/27/60/206272760.db2.gz UWAKQOLCSIAXLE-CQSZACIVSA-N 1 2 343.446 3.446 10 70 EGIELO Cc1cc(N[C@@H](CC(N)=O)C2CCCCC2)nc(-c2cccnc2)[nH+]1 ZINC000161402899 206346067 /nfs/dbraw/zinc/34/60/67/206346067.db2.gz NOCMWIDNGOTGKI-INIZCTEOSA-N 1 2 339.443 3.083 10 70 EGIELO CC[N@H+](Cc1nsc(N(C)C)n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000160132520 455432146 /nfs/dbraw/zinc/43/21/46/455432146.db2.gz ZOQRMJDUZXFQBT-ZDUSSCGKSA-N 1 2 334.489 3.066 10 70 EGIELO CC[N@@H+](Cc1nsc(N(C)C)n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000160132520 455432151 /nfs/dbraw/zinc/43/21/51/455432151.db2.gz ZOQRMJDUZXFQBT-ZDUSSCGKSA-N 1 2 334.489 3.066 10 70 EGIELO CC(=O)c1ccc(NC(=O)C[N@@H+](CCc2nccs2)C(C)C)cc1 ZINC000159901292 455414773 /nfs/dbraw/zinc/41/47/73/455414773.db2.gz COTVSRKUEDSXKB-UHFFFAOYSA-N 1 2 345.468 3.237 10 70 EGIELO CC(=O)c1ccc(NC(=O)C[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000159901292 455414777 /nfs/dbraw/zinc/41/47/77/455414777.db2.gz COTVSRKUEDSXKB-UHFFFAOYSA-N 1 2 345.468 3.237 10 70 EGIELO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000161189713 455546889 /nfs/dbraw/zinc/54/68/89/455546889.db2.gz AGFSRJKNEIZISK-HNNXBMFYSA-N 1 2 341.480 3.431 10 70 EGIELO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000161189713 455546893 /nfs/dbraw/zinc/54/68/93/455546893.db2.gz AGFSRJKNEIZISK-HNNXBMFYSA-N 1 2 341.480 3.431 10 70 EGIELO CCOc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1OC ZINC000161368773 455564149 /nfs/dbraw/zinc/56/41/49/455564149.db2.gz DSTLZCYJPVDABF-UHFFFAOYSA-N 1 2 331.416 3.344 10 70 EGIELO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1F)c1nccs1 ZINC000161091885 307898409 /nfs/dbraw/zinc/89/84/09/307898409.db2.gz PDRZQVDUVPGPSN-SKDRFNHKSA-N 1 2 325.384 3.489 10 70 EGIELO Cc1ccc(C(=O)CC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000160298792 455446411 /nfs/dbraw/zinc/44/64/11/455446411.db2.gz WNWCJWPTDUQHAU-HXUWFJFHSA-N 1 2 325.408 3.347 10 70 EGIELO Cc1ccc(C(=O)CC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000160298792 455446414 /nfs/dbraw/zinc/44/64/14/455446414.db2.gz WNWCJWPTDUQHAU-HXUWFJFHSA-N 1 2 325.408 3.347 10 70 EGIELO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000160897789 455510612 /nfs/dbraw/zinc/51/06/12/455510612.db2.gz ASMSEVIJDAOXPN-HUUCEWRRSA-N 1 2 338.436 3.057 10 70 EGIELO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000161284873 455555431 /nfs/dbraw/zinc/55/54/31/455555431.db2.gz GLDXUJNHOZLHCP-HNNXBMFYSA-N 1 2 331.441 3.123 10 70 EGIELO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000161284873 455555434 /nfs/dbraw/zinc/55/54/34/455555434.db2.gz GLDXUJNHOZLHCP-HNNXBMFYSA-N 1 2 331.441 3.123 10 70 EGIELO C[C@@H](CCn1cccn1)[NH2+]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000159382597 533697243 /nfs/dbraw/zinc/69/72/43/533697243.db2.gz HWUQZAHQSYTNAR-SNRMKQJTSA-N 1 2 329.444 3.456 10 70 EGIELO COc1cccc(Cl)c1CC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000160506553 455468023 /nfs/dbraw/zinc/46/80/23/455468023.db2.gz AUJZYPWWCNRWQV-UHFFFAOYSA-N 1 2 333.819 3.015 10 70 EGIELO CCc1cc(=O)[nH]c(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)n1 ZINC000160885774 455508382 /nfs/dbraw/zinc/50/83/82/455508382.db2.gz RFHUOFXRQKPJDI-UHFFFAOYSA-N 1 2 349.381 3.066 10 70 EGIELO Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)cc1F ZINC000161253370 307900691 /nfs/dbraw/zinc/90/06/91/307900691.db2.gz XPEDTLIHZNDNMC-UHFFFAOYSA-N 1 2 333.794 3.145 10 70 EGIELO COCc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)o1 ZINC000159928338 455416656 /nfs/dbraw/zinc/41/66/56/455416656.db2.gz ZEAGEGLNPJWCMZ-UHFFFAOYSA-N 1 2 349.456 3.367 10 70 EGIELO Cc1ccccc1OCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159616805 225249628 /nfs/dbraw/zinc/24/96/28/225249628.db2.gz QWCGBTUNXDIYAX-MSOLQXFVSA-N 1 2 345.439 3.181 10 70 EGIELO Cc1ccccc1OCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159616805 225249634 /nfs/dbraw/zinc/24/96/34/225249634.db2.gz QWCGBTUNXDIYAX-MSOLQXFVSA-N 1 2 345.439 3.181 10 70 EGIELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1F)c1nccs1 ZINC000161091782 307898461 /nfs/dbraw/zinc/89/84/61/307898461.db2.gz PDRZQVDUVPGPSN-JOYOIKCWSA-N 1 2 325.384 3.489 10 70 EGIELO Cc1cc(N[C@@H](CC(N)=O)C2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000161405807 307902459 /nfs/dbraw/zinc/90/24/59/307902459.db2.gz ISZHHIBDGJUNEA-INIZCTEOSA-N 1 2 339.443 3.083 10 70 EGIELO CC1(C)C[C@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)c2ccccc2O1 ZINC000159828600 455408097 /nfs/dbraw/zinc/40/80/97/455408097.db2.gz ROGKRAYMXGPUFN-INIZCTEOSA-N 1 2 348.406 3.300 10 70 EGIELO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160703096 455489576 /nfs/dbraw/zinc/48/95/76/455489576.db2.gz SXGZKZBSPUUTMA-MSOLQXFVSA-N 1 2 345.393 3.209 10 70 EGIELO C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160703096 455489582 /nfs/dbraw/zinc/48/95/82/455489582.db2.gz SXGZKZBSPUUTMA-MSOLQXFVSA-N 1 2 345.393 3.209 10 70 EGIELO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160702953 455490299 /nfs/dbraw/zinc/49/02/99/455490299.db2.gz SXGZKZBSPUUTMA-ROUUACIJSA-N 1 2 345.393 3.209 10 70 EGIELO C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160702953 455490306 /nfs/dbraw/zinc/49/03/06/455490306.db2.gz SXGZKZBSPUUTMA-ROUUACIJSA-N 1 2 345.393 3.209 10 70 EGIELO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159813615 455406086 /nfs/dbraw/zinc/40/60/86/455406086.db2.gz HVARIEIGCJITHD-OLZOCXBDSA-N 1 2 326.404 3.186 10 70 EGIELO CC[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1nccs1 ZINC000161163078 455542042 /nfs/dbraw/zinc/54/20/42/455542042.db2.gz BQQRMEIJQFSUEG-LSDHHAIUSA-N 1 2 333.432 3.343 10 70 EGIELO c1cnn(CC2CC[NH+](Cc3noc(C4CCCCC4)n3)CC2)c1 ZINC000159979259 225313743 /nfs/dbraw/zinc/31/37/43/225313743.db2.gz YFVZVUARMHWKMM-UHFFFAOYSA-N 1 2 329.448 3.226 10 70 EGIELO CCCc1noc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000159493864 307874748 /nfs/dbraw/zinc/87/47/48/307874748.db2.gz ASXPOXIQQMCWQD-AWEZNQCLSA-N 1 2 332.423 3.040 10 70 EGIELO CC(C)Oc1nccnc1N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000159709087 455397607 /nfs/dbraw/zinc/39/76/07/455397607.db2.gz QSXWXMSFOGJAQO-UHFFFAOYSA-N 1 2 337.427 3.145 10 70 EGIELO Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160545976 455473155 /nfs/dbraw/zinc/47/31/55/455473155.db2.gz UMUJNEUGCAUPMA-UHFFFAOYSA-N 1 2 329.835 3.329 10 70 EGIELO CC[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1nccs1 ZINC000161163205 455542255 /nfs/dbraw/zinc/54/22/55/455542255.db2.gz BQQRMEIJQFSUEG-HUUCEWRRSA-N 1 2 333.432 3.343 10 70 EGIELO CCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000161435181 455570241 /nfs/dbraw/zinc/57/02/41/455570241.db2.gz WWZFZCGXAMSOFL-INIZCTEOSA-N 1 2 343.427 3.113 10 70 EGIELO CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000161435277 455570457 /nfs/dbraw/zinc/57/04/57/455570457.db2.gz WWZFZCGXAMSOFL-MRXNPFEDSA-N 1 2 343.427 3.113 10 70 EGIELO CCc1nnc([C@@H](C)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000159466503 307874363 /nfs/dbraw/zinc/87/43/63/307874363.db2.gz GWYOHYRYIFPWBY-ZIAGYGMSSA-N 1 2 332.423 3.211 10 70 EGIELO C[C@H](NC(=O)N(C)CC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000159580669 307876112 /nfs/dbraw/zinc/87/61/12/307876112.db2.gz GXLWFIHZXMPIKR-HNNXBMFYSA-N 1 2 342.443 3.001 10 70 EGIELO Cc1cccc2c(CCC(=O)NCc3ccc[nH+]c3N(C)C)c[nH]c21 ZINC000160483554 455464515 /nfs/dbraw/zinc/46/45/15/455464515.db2.gz FTWZDSRUBILCDT-UHFFFAOYSA-N 1 2 336.439 3.186 10 70 EGIELO CCCn1cc(C[N@H+](CCC)CC(=O)Nc2ccccc2OC)cn1 ZINC000160895854 455510914 /nfs/dbraw/zinc/51/09/14/455510914.db2.gz ZZPLWGBENNQVAL-UHFFFAOYSA-N 1 2 344.459 3.152 10 70 EGIELO CCCn1cc(C[N@@H+](CCC)CC(=O)Nc2ccccc2OC)cn1 ZINC000160895854 455510919 /nfs/dbraw/zinc/51/09/19/455510919.db2.gz ZZPLWGBENNQVAL-UHFFFAOYSA-N 1 2 344.459 3.152 10 70 EGIELO O=C(/C=C/c1cccc2cccnc12)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161270428 455554741 /nfs/dbraw/zinc/55/47/41/455554741.db2.gz JEWFFUSKUWVUMK-QZEKMECESA-N 1 2 344.418 3.038 10 70 EGIELO CC1(C)CCC(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000159554168 528903860 /nfs/dbraw/zinc/90/38/60/528903860.db2.gz OSJDZUTXCLQOMP-UHFFFAOYSA-N 1 2 341.459 3.283 10 70 EGIELO COC(=O)c1ccc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000159462414 307874268 /nfs/dbraw/zinc/87/42/68/307874268.db2.gz RHGFTLIOSNJRLV-CQSZACIVSA-N 1 2 346.402 3.084 10 70 EGIELO CCc1cccc(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000159766766 307879185 /nfs/dbraw/zinc/87/91/85/307879185.db2.gz RXNKHHVFEYWQMZ-UHFFFAOYSA-N 1 2 338.451 3.262 10 70 EGIELO C[N@@H+]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160706756 455489716 /nfs/dbraw/zinc/48/97/16/455489716.db2.gz FIYLCSYNMLKMFN-IRXDYDNUSA-N 1 2 337.414 3.342 10 70 EGIELO C[N@H+]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160706756 455489719 /nfs/dbraw/zinc/48/97/19/455489719.db2.gz FIYLCSYNMLKMFN-IRXDYDNUSA-N 1 2 337.414 3.342 10 70 EGIELO O=C(Nc1cccc(OCC(F)(F)F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159777321 455402647 /nfs/dbraw/zinc/40/26/47/455402647.db2.gz WHNAQOCQCNFMNE-NSHDSACASA-N 1 2 339.317 3.025 10 70 EGIELO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000160608474 455480239 /nfs/dbraw/zinc/48/02/39/455480239.db2.gz NDVORXFXGBFYCV-ROUUACIJSA-N 1 2 345.487 3.152 10 70 EGIELO Cc1ccn(-c2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000161413714 455568184 /nfs/dbraw/zinc/56/81/84/455568184.db2.gz NMISKVRQVGEFHG-UHFFFAOYSA-N 1 2 344.378 3.014 10 70 EGIELO OC[C@@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC000161431392 455569267 /nfs/dbraw/zinc/56/92/67/455569267.db2.gz KUOOQAKJSZOPJW-OAHLLOKOSA-N 1 2 346.228 3.149 10 70 EGIELO CC(C)Oc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159469472 528222325 /nfs/dbraw/zinc/22/23/25/528222325.db2.gz GXJBFMJGZIBTMX-HKUYNNGSSA-N 1 2 345.439 3.391 10 70 EGIELO CC(C)Oc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159469472 528222335 /nfs/dbraw/zinc/22/23/35/528222335.db2.gz GXJBFMJGZIBTMX-HKUYNNGSSA-N 1 2 345.439 3.391 10 70 EGIELO COCC[N@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccccc1 ZINC000160685391 455487979 /nfs/dbraw/zinc/48/79/79/455487979.db2.gz VTJZSYLFWYEHEK-UHFFFAOYSA-N 1 2 336.439 3.131 10 70 EGIELO COCC[N@@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccccc1 ZINC000160685391 455487984 /nfs/dbraw/zinc/48/79/84/455487984.db2.gz VTJZSYLFWYEHEK-UHFFFAOYSA-N 1 2 336.439 3.131 10 70 EGIELO C[C@H](NC(=O)NC1C[C@@H](C)O[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000159580483 455386887 /nfs/dbraw/zinc/38/68/87/455386887.db2.gz IHWLBTHRMCYYEJ-KFWWJZLASA-N 1 2 342.443 3.189 10 70 EGIELO CC(C)(C)C(=O)N1CCC(C[N@H+](CCCO)c2ccccc2)CC1 ZINC000160106830 455429323 /nfs/dbraw/zinc/42/93/23/455429323.db2.gz KLBAVSZQKNWSCO-UHFFFAOYSA-N 1 2 332.488 3.160 10 70 EGIELO CC(C)(C)C(=O)N1CCC(C[N@@H+](CCCO)c2ccccc2)CC1 ZINC000160106830 455429329 /nfs/dbraw/zinc/42/93/29/455429329.db2.gz KLBAVSZQKNWSCO-UHFFFAOYSA-N 1 2 332.488 3.160 10 70 EGIELO Cc1ccc(C(=O)CC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000160298646 455446858 /nfs/dbraw/zinc/44/68/58/455446858.db2.gz WNWCJWPTDUQHAU-FQEVSTJZSA-N 1 2 325.408 3.347 10 70 EGIELO Cc1ccc(C(=O)CC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000160298646 455446865 /nfs/dbraw/zinc/44/68/65/455446865.db2.gz WNWCJWPTDUQHAU-FQEVSTJZSA-N 1 2 325.408 3.347 10 70 EGIELO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1ccc(F)cc1 ZINC000161151190 455540872 /nfs/dbraw/zinc/54/08/72/455540872.db2.gz MHXWSXRFCVEYQF-UHFFFAOYSA-N 1 2 345.340 3.441 10 70 EGIELO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000161151190 455540874 /nfs/dbraw/zinc/54/08/74/455540874.db2.gz MHXWSXRFCVEYQF-UHFFFAOYSA-N 1 2 345.340 3.441 10 70 EGIELO CC(C)c1nc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)no1 ZINC000159487927 307874663 /nfs/dbraw/zinc/87/46/63/307874663.db2.gz VCCFQVGQYRSMBJ-CQSZACIVSA-N 1 2 332.423 3.211 10 70 EGIELO CC(C)Cc1noc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000159490608 307874723 /nfs/dbraw/zinc/87/47/23/307874723.db2.gz ZPNBONNJZITSDD-OAHLLOKOSA-N 1 2 346.450 3.286 10 70 EGIELO CCC(CC)c1cc(C(=O)NCc2cccnc2-n2cc[nH+]c2)on1 ZINC000159950934 455418568 /nfs/dbraw/zinc/41/85/68/455418568.db2.gz MEKORLNHRISDLE-UHFFFAOYSA-N 1 2 339.399 3.089 10 70 EGIELO Clc1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc2c1OCCO2 ZINC000160655906 455485354 /nfs/dbraw/zinc/48/53/54/455485354.db2.gz UOOMFANFMRTHOT-UHFFFAOYSA-N 1 2 333.819 3.214 10 70 EGIELO Cc1ccc(C(=O)CC[N@@H+](C)Cc2nc(-c3cccnc3)no2)cc1 ZINC000160700376 455488865 /nfs/dbraw/zinc/48/88/65/455488865.db2.gz BFPLJWCTOPYBOM-UHFFFAOYSA-N 1 2 336.395 3.145 10 70 EGIELO Cc1ccc(C(=O)CC[N@H+](C)Cc2nc(-c3cccnc3)no2)cc1 ZINC000160700376 455488869 /nfs/dbraw/zinc/48/88/69/455488869.db2.gz BFPLJWCTOPYBOM-UHFFFAOYSA-N 1 2 336.395 3.145 10 70 EGIELO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1nc(C(C)(C)C)no1 ZINC000159939249 307882507 /nfs/dbraw/zinc/88/25/07/307882507.db2.gz CWKBAABHWVFUOG-STQMWFEESA-N 1 2 340.431 3.360 10 70 EGIELO O=C(C/C=C/c1ccc(F)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161243409 225582993 /nfs/dbraw/zinc/58/29/93/225582993.db2.gz HQGLLFKXMHGSCQ-REMYHPOOSA-N 1 2 325.387 3.019 10 70 EGIELO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1nc(C(C)(C)C)no1 ZINC000159939645 455417645 /nfs/dbraw/zinc/41/76/45/455417645.db2.gz CWKBAABHWVFUOG-CHWSQXEVSA-N 1 2 340.431 3.360 10 70 EGIELO C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161291086 455556789 /nfs/dbraw/zinc/55/67/89/455556789.db2.gz GSEQTMIQTLSWRM-AINHQSCGSA-N 1 2 325.387 3.019 10 70 EGIELO CC(C)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000159478855 529034040 /nfs/dbraw/zinc/03/40/40/529034040.db2.gz YIUFETMFSAHUOH-IBGZPJMESA-N 1 2 348.450 3.398 10 70 EGIELO Cc1cccc2[nH+]c(CN[C@H](C)c3cn(-c4ccccc4)nn3)cn21 ZINC000160307476 455446380 /nfs/dbraw/zinc/44/63/80/455446380.db2.gz NPPCVPITNXPENQ-OAHLLOKOSA-N 1 2 332.411 3.074 10 70 EGIELO Cc1cccc2nc(C[NH2+][C@H](C)c3cn(-c4ccccc4)nn3)cn21 ZINC000160307476 455446384 /nfs/dbraw/zinc/44/63/84/455446384.db2.gz NPPCVPITNXPENQ-OAHLLOKOSA-N 1 2 332.411 3.074 10 70 EGIELO Cc1cc(N2CCN(c3cccs3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000160665485 455485711 /nfs/dbraw/zinc/48/57/11/455485711.db2.gz YHTYAYADIGTPIA-UHFFFAOYSA-N 1 2 337.452 3.235 10 70 EGIELO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160665150 455486139 /nfs/dbraw/zinc/48/61/39/455486139.db2.gz IOVZCDHZLBMTSX-KRWDZBQOSA-N 1 2 326.444 3.350 10 70 EGIELO COc1cccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160665150 455486142 /nfs/dbraw/zinc/48/61/42/455486142.db2.gz IOVZCDHZLBMTSX-KRWDZBQOSA-N 1 2 326.444 3.350 10 70 EGIELO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cncs1 ZINC000160744015 455493688 /nfs/dbraw/zinc/49/36/88/455493688.db2.gz HXWLEFJUMYMXHQ-UHFFFAOYSA-N 1 2 343.374 3.411 10 70 EGIELO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cncs1 ZINC000160744015 455493690 /nfs/dbraw/zinc/49/36/90/455493690.db2.gz HXWLEFJUMYMXHQ-UHFFFAOYSA-N 1 2 343.374 3.411 10 70 EGIELO CC[C@H](C)[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)C(=O)OC(C)(C)C ZINC000160949253 455516833 /nfs/dbraw/zinc/51/68/33/455516833.db2.gz FCKMCBSJWNAPEC-YOEHRIQHSA-N 1 2 344.459 3.113 10 70 EGIELO CC1(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000161131693 455538132 /nfs/dbraw/zinc/53/81/32/455538132.db2.gz GEARXJQXSJLOEU-ZDUSSCGKSA-N 1 2 337.414 3.171 10 70 EGIELO CC1(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000161131693 455538135 /nfs/dbraw/zinc/53/81/35/455538135.db2.gz GEARXJQXSJLOEU-ZDUSSCGKSA-N 1 2 337.414 3.171 10 70 EGIELO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160539014 535465733 /nfs/dbraw/zinc/46/57/33/535465733.db2.gz CSCTYTYPWBGLKG-IBGZPJMESA-N 1 2 340.471 3.199 10 70 EGIELO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(F)ccc1F)c1nccs1 ZINC000161137345 455539242 /nfs/dbraw/zinc/53/92/42/455539242.db2.gz PDEGPOGQTOKCCO-BXKDBHETSA-N 1 2 325.384 3.489 10 70 EGIELO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)C[C@@H]1CCCO1 ZINC000160276033 225377882 /nfs/dbraw/zinc/37/78/82/225377882.db2.gz VGRAUENZBYDIPP-DOMZBBRYSA-N 1 2 335.835 3.486 10 70 EGIELO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000160276033 225377887 /nfs/dbraw/zinc/37/78/87/225377887.db2.gz VGRAUENZBYDIPP-DOMZBBRYSA-N 1 2 335.835 3.486 10 70 EGIELO C[C@@H]1C[N@H+](Cc2cnc3ccccn23)C[C@H](c2ccc(F)cc2)O1 ZINC000160611031 274357724 /nfs/dbraw/zinc/35/77/24/274357724.db2.gz CRPBVZVTKZRPCK-RDTXWAMCSA-N 1 2 325.387 3.435 10 70 EGIELO C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)C[C@H](c2ccc(F)cc2)O1 ZINC000160611031 274357725 /nfs/dbraw/zinc/35/77/25/274357725.db2.gz CRPBVZVTKZRPCK-RDTXWAMCSA-N 1 2 325.387 3.435 10 70 EGIELO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159813502 307880288 /nfs/dbraw/zinc/88/02/88/307880288.db2.gz HVARIEIGCJITHD-CHWSQXEVSA-N 1 2 326.404 3.186 10 70 EGIELO CCCCn1ncc(NC(=O)NCc2[nH+]ccn2CC(C)C)c1C ZINC000159864577 307881313 /nfs/dbraw/zinc/88/13/13/307881313.db2.gz WUMNKWPERPFMOG-UHFFFAOYSA-N 1 2 332.452 3.166 10 70 EGIELO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1F)c1nccs1 ZINC000161091653 307898421 /nfs/dbraw/zinc/89/84/21/307898421.db2.gz PDRZQVDUVPGPSN-CABZTGNLSA-N 1 2 325.384 3.489 10 70 EGIELO CCCn1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC)cn1 ZINC000160884528 455508858 /nfs/dbraw/zinc/50/88/58/455508858.db2.gz VNOUIVLINCFAMT-UHFFFAOYSA-N 1 2 332.473 3.086 10 70 EGIELO CCCn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)cn1 ZINC000160884528 455508862 /nfs/dbraw/zinc/50/88/62/455508862.db2.gz VNOUIVLINCFAMT-UHFFFAOYSA-N 1 2 332.473 3.086 10 70 EGIELO C[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2O)C[C@@H]1n1cc[nH+]c1 ZINC000160966115 455518790 /nfs/dbraw/zinc/51/87/90/455518790.db2.gz FWGUGWIBFIKBPO-YGRLFVJLSA-N 1 2 337.782 3.105 10 70 EGIELO Cn1c(C[NH+]2CCC(OC3CCCC3)CC2)nnc1-c1ccccc1 ZINC000160890716 307895771 /nfs/dbraw/zinc/89/57/71/307895771.db2.gz UIMXEFXOROVLPY-UHFFFAOYSA-N 1 2 340.471 3.406 10 70 EGIELO CC(C)n1cc[nH+]c1CS(=O)(=O)CCc1ccccc1Cl ZINC000161221662 455549091 /nfs/dbraw/zinc/54/90/91/455549091.db2.gz HZSJRUXQKHTXKT-UHFFFAOYSA-N 1 2 326.849 3.275 10 70 EGIELO O[C@@H](C[C@@H]1COCC[N@@H+]1CCSc1ccccc1)c1ccco1 ZINC000159616222 534405251 /nfs/dbraw/zinc/40/52/51/534405251.db2.gz ZPBSDCJBIFZDSM-WBVHZDCISA-N 1 2 333.453 3.196 10 70 EGIELO O[C@@H](C[C@@H]1COCC[N@H+]1CCSc1ccccc1)c1ccco1 ZINC000159616222 534405260 /nfs/dbraw/zinc/40/52/60/534405260.db2.gz ZPBSDCJBIFZDSM-WBVHZDCISA-N 1 2 333.453 3.196 10 70 EGIELO CCS[C@@H](C)c1noc(C[N@H+](CC)CCc2nccs2)n1 ZINC000159413366 529203715 /nfs/dbraw/zinc/20/37/15/529203715.db2.gz IPDUVMGWDYWDLA-NSHDSACASA-N 1 2 326.491 3.405 10 70 EGIELO CCS[C@@H](C)c1noc(C[N@@H+](CC)CCc2nccs2)n1 ZINC000159413366 529203716 /nfs/dbraw/zinc/20/37/16/529203716.db2.gz IPDUVMGWDYWDLA-NSHDSACASA-N 1 2 326.491 3.405 10 70 EGIELO CC(C)Cc1noc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000159490469 307874789 /nfs/dbraw/zinc/87/47/89/307874789.db2.gz ZPNBONNJZITSDD-HNNXBMFYSA-N 1 2 346.450 3.286 10 70 EGIELO C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000159413273 455375531 /nfs/dbraw/zinc/37/55/31/455375531.db2.gz JUMXBLKWOOHHQT-CQSZACIVSA-N 1 2 341.436 3.449 10 70 EGIELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C(C)=O)c1)c1nccs1 ZINC000161084398 455531812 /nfs/dbraw/zinc/53/18/12/455531812.db2.gz MFVBGCIBZPXHJW-XHDPSFHLSA-N 1 2 331.441 3.414 10 70 EGIELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1nccs1 ZINC000161137136 455538177 /nfs/dbraw/zinc/53/81/77/455538177.db2.gz PDEGPOGQTOKCCO-JOYOIKCWSA-N 1 2 325.384 3.489 10 70 EGIELO O=C(C/C=C/c1ccc(F)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161243281 455552535 /nfs/dbraw/zinc/55/25/35/455552535.db2.gz HQGLLFKXMHGSCQ-IDOMTICXSA-N 1 2 325.387 3.019 10 70 EGIELO C[C@@H](CCn1cccn1)[NH2+]c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000159435735 533697028 /nfs/dbraw/zinc/69/70/28/533697028.db2.gz APADTLKGBHWESF-GVDBMIGSSA-N 1 2 328.460 3.387 10 70 EGIELO CCOCC[N@H+](CC)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159554631 455385566 /nfs/dbraw/zinc/38/55/66/455385566.db2.gz LSILWPMBTVYEHX-UHFFFAOYSA-N 1 2 326.238 3.184 10 70 EGIELO CCOCC[N@@H+](CC)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159554631 455385570 /nfs/dbraw/zinc/38/55/70/455385570.db2.gz LSILWPMBTVYEHX-UHFFFAOYSA-N 1 2 326.238 3.184 10 70 EGIELO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC(c3ccccc3)=N2)n1 ZINC000160086279 455427479 /nfs/dbraw/zinc/42/74/79/455427479.db2.gz YJQOWGPHFYVALF-HXUWFJFHSA-N 1 2 348.450 3.164 10 70 EGIELO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCC(c3ccccc3)=N2)n1 ZINC000160086279 455427483 /nfs/dbraw/zinc/42/74/83/455427483.db2.gz YJQOWGPHFYVALF-HXUWFJFHSA-N 1 2 348.450 3.164 10 70 EGIELO C[N@H+](CCOCC1CC1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000160124344 455430984 /nfs/dbraw/zinc/43/09/84/455430984.db2.gz PFBCHANWPIFAKK-UHFFFAOYSA-N 1 2 338.249 3.184 10 70 EGIELO C[N@@H+](CCOCC1CC1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000160124344 455430987 /nfs/dbraw/zinc/43/09/87/455430987.db2.gz PFBCHANWPIFAKK-UHFFFAOYSA-N 1 2 338.249 3.184 10 70 EGIELO C[N@H+](CCOCC1CC1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000160124344 455430991 /nfs/dbraw/zinc/43/09/91/455430991.db2.gz PFBCHANWPIFAKK-UHFFFAOYSA-N 1 2 338.249 3.184 10 70 EGIELO C[N@@H+](CCOCC1CC1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000160124344 455430995 /nfs/dbraw/zinc/43/09/95/455430995.db2.gz PFBCHANWPIFAKK-UHFFFAOYSA-N 1 2 338.249 3.184 10 70 EGIELO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000160897916 455511235 /nfs/dbraw/zinc/51/12/35/455511235.db2.gz ASMSEVIJDAOXPN-LSDHHAIUSA-N 1 2 338.436 3.057 10 70 EGIELO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(F)ccc1F)c1nccs1 ZINC000161137250 455538103 /nfs/dbraw/zinc/53/81/03/455538103.db2.gz PDEGPOGQTOKCCO-SKDRFNHKSA-N 1 2 325.384 3.489 10 70 EGIELO O=C(/C=C/c1cccc2cccnc12)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161270304 152774044 /nfs/dbraw/zinc/77/40/44/152774044.db2.gz JEWFFUSKUWVUMK-BBVFFXRHSA-N 1 2 344.418 3.038 10 70 EGIELO COC(=O)c1cccc(CNc2cc(C)[nH+]c(-c3cccnc3)n2)c1 ZINC000161229471 455550583 /nfs/dbraw/zinc/55/05/83/455550583.db2.gz LWNIQQXJRWSJSR-UHFFFAOYSA-N 1 2 334.379 3.246 10 70 EGIELO C[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2O)C[C@H]1n1cc[nH+]c1 ZINC000160966321 455518733 /nfs/dbraw/zinc/51/87/33/455518733.db2.gz FWGUGWIBFIKBPO-QMTHXVAHSA-N 1 2 337.782 3.105 10 70 EGIELO Cc1ccn(-c2ccccc2NC(=O)Cc2cn3ccccc3[nH+]2)n1 ZINC000161226993 455550667 /nfs/dbraw/zinc/55/06/67/455550667.db2.gz NMTNFCZNWVKHSI-UHFFFAOYSA-N 1 2 331.379 3.010 10 70 EGIELO Cc1ccccc1OCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159616649 225250326 /nfs/dbraw/zinc/25/03/26/225250326.db2.gz QWCGBTUNXDIYAX-ROUUACIJSA-N 1 2 345.439 3.181 10 70 EGIELO Cc1ccccc1OCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159616649 225250330 /nfs/dbraw/zinc/25/03/30/225250330.db2.gz QWCGBTUNXDIYAX-ROUUACIJSA-N 1 2 345.439 3.181 10 70 EGIELO CCc1nnc([C@H](C)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000159466652 307874203 /nfs/dbraw/zinc/87/42/03/307874203.db2.gz GWYOHYRYIFPWBY-KGLIPLIRSA-N 1 2 332.423 3.211 10 70 EGIELO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(-n2ccnn2)cc1 ZINC000159939395 307882342 /nfs/dbraw/zinc/88/23/42/307882342.db2.gz CWKBAABHWVFUOG-OLZOCXBDSA-N 1 2 340.431 3.360 10 70 EGIELO COCC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000159642264 455392880 /nfs/dbraw/zinc/39/28/80/455392880.db2.gz NGUCBCDWZZXQAM-UHFFFAOYSA-N 1 2 338.249 3.184 10 70 EGIELO CCSc1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000160941939 455515490 /nfs/dbraw/zinc/51/54/90/455515490.db2.gz AAGCKWUQPPIKTG-UHFFFAOYSA-N 1 2 327.453 3.156 10 70 EGIELO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)C[C@@H]1CCCO1 ZINC000160275895 225377700 /nfs/dbraw/zinc/37/77/00/225377700.db2.gz VGRAUENZBYDIPP-WFASDCNBSA-N 1 2 335.835 3.486 10 70 EGIELO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000160275895 225377705 /nfs/dbraw/zinc/37/77/05/225377705.db2.gz VGRAUENZBYDIPP-WFASDCNBSA-N 1 2 335.835 3.486 10 70 EGIELO CCCCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159900824 307881954 /nfs/dbraw/zinc/88/19/54/307881954.db2.gz QZAHDWRYBLUZDM-ZIAGYGMSSA-N 1 2 340.431 3.405 10 70 EGIELO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160536886 455472032 /nfs/dbraw/zinc/47/20/32/455472032.db2.gz CQCGLNRVDQUEAS-OAHLLOKOSA-N 1 2 326.444 3.233 10 70 EGIELO FC(F)(F)c1cnc(N2CCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000160418765 455457040 /nfs/dbraw/zinc/45/70/40/455457040.db2.gz CRJOYMAQDHJHNB-GFCCVEGCSA-N 1 2 349.784 3.055 10 70 EGIELO COC(=O)c1occc1CN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000159476693 455379547 /nfs/dbraw/zinc/37/95/47/455379547.db2.gz QXDOKHJEHCJRTP-AWEZNQCLSA-N 1 2 346.402 3.084 10 70 EGIELO CC(C)n1cc[nH+]c1CS(=O)(=O)c1ncc(C(C)(C)C)s1 ZINC000160365814 528607252 /nfs/dbraw/zinc/60/72/52/528607252.db2.gz RUCZGDGUHBGXTK-UHFFFAOYSA-N 1 2 327.475 3.192 10 70 EGIELO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC)c1nccs1 ZINC000161160808 307899507 /nfs/dbraw/zinc/89/95/07/307899507.db2.gz NSROBNSTGFEHTL-AAEUAGOBSA-N 1 2 349.456 3.228 10 70 EGIELO Cc1cccc2[nH]c(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)nc21 ZINC000160575512 455475953 /nfs/dbraw/zinc/47/59/53/455475953.db2.gz UGQJJMXSQGQBHE-UHFFFAOYSA-N 1 2 345.406 3.046 10 70 EGIELO Cc1cccc2nc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)[nH]c21 ZINC000160575512 455475956 /nfs/dbraw/zinc/47/59/56/455475956.db2.gz UGQJJMXSQGQBHE-UHFFFAOYSA-N 1 2 345.406 3.046 10 70 EGIELO CCc1nnc([C@@H](C)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000159466215 455378208 /nfs/dbraw/zinc/37/82/08/455378208.db2.gz GWYOHYRYIFPWBY-UONOGXRCSA-N 1 2 332.423 3.211 10 70 EGIELO CC[N@H+](Cc1nsc(N(C)C)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000160132639 455431666 /nfs/dbraw/zinc/43/16/66/455431666.db2.gz ZOQRMJDUZXFQBT-CYBMUJFWSA-N 1 2 334.489 3.066 10 70 EGIELO CC[N@@H+](Cc1nsc(N(C)C)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000160132639 455431672 /nfs/dbraw/zinc/43/16/72/455431672.db2.gz ZOQRMJDUZXFQBT-CYBMUJFWSA-N 1 2 334.489 3.066 10 70 EGIELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1)c1nccs1 ZINC000161083345 455530897 /nfs/dbraw/zinc/53/08/97/455530897.db2.gz SVKOLMSQAACYCZ-XHDPSFHLSA-N 1 2 331.441 3.414 10 70 EGIELO COc1cc(C[N@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)ccc1O ZINC000161366488 455562835 /nfs/dbraw/zinc/56/28/35/455562835.db2.gz WNEILTHOHKXHKM-UHFFFAOYSA-N 1 2 343.383 3.293 10 70 EGIELO COc1cc(C[N@@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)ccc1O ZINC000161366488 455562838 /nfs/dbraw/zinc/56/28/38/455562838.db2.gz WNEILTHOHKXHKM-UHFFFAOYSA-N 1 2 343.383 3.293 10 70 EGIELO CN(CCCn1cc[nH+]c1)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160168478 455434267 /nfs/dbraw/zinc/43/42/67/455434267.db2.gz KKPSWGFDGJPTAM-UHFFFAOYSA-N 1 2 349.438 3.177 10 70 EGIELO C[C@]1(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCS1 ZINC000160614592 455479819 /nfs/dbraw/zinc/47/98/19/455479819.db2.gz WJDVZZAFIAZLKA-GOSISDBHSA-N 1 2 344.484 3.016 10 70 EGIELO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000160608221 455480057 /nfs/dbraw/zinc/48/00/57/455480057.db2.gz NDVORXFXGBFYCV-MSOLQXFVSA-N 1 2 345.487 3.152 10 70 EGIELO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC)c1nccs1 ZINC000161161085 455542078 /nfs/dbraw/zinc/54/20/78/455542078.db2.gz NSROBNSTGFEHTL-DGCLKSJQSA-N 1 2 349.456 3.228 10 70 EGIELO C[C@@H]1C[N@H+](CC[S@@](=O)c2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000216904658 241219895 /nfs/dbraw/zinc/21/98/95/241219895.db2.gz FCBNKGFQRBHDTL-BVZALQNUSA-N 1 2 329.465 3.256 10 70 EGIELO C[C@@H]1C[N@@H+](CC[S@@](=O)c2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000216904658 241219898 /nfs/dbraw/zinc/21/98/98/241219898.db2.gz FCBNKGFQRBHDTL-BVZALQNUSA-N 1 2 329.465 3.256 10 70 EGIELO O=C(Nc1cccc(OCC(F)(F)F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159777206 455402819 /nfs/dbraw/zinc/40/28/19/455402819.db2.gz WHNAQOCQCNFMNE-LLVKDONJSA-N 1 2 339.317 3.025 10 70 EGIELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC)c1nccs1 ZINC000161160900 455541999 /nfs/dbraw/zinc/54/19/99/455541999.db2.gz NSROBNSTGFEHTL-WCQYABFASA-N 1 2 349.456 3.228 10 70 EGIELO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000161189829 455546594 /nfs/dbraw/zinc/54/65/94/455546594.db2.gz AGFSRJKNEIZISK-OAHLLOKOSA-N 1 2 341.480 3.431 10 70 EGIELO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000161189829 455546600 /nfs/dbraw/zinc/54/66/00/455546600.db2.gz AGFSRJKNEIZISK-OAHLLOKOSA-N 1 2 341.480 3.431 10 70 EGIELO CC1(C)C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)c2ccccc2O1 ZINC000159948786 206271908 /nfs/dbraw/zinc/27/19/08/206271908.db2.gz RZIKPUMQXCGVIT-INIZCTEOSA-N 1 2 348.406 3.300 10 70 EGIELO CCc1nnc([C@H](C)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000159466347 307874332 /nfs/dbraw/zinc/87/43/32/307874332.db2.gz GWYOHYRYIFPWBY-KBPBESRZSA-N 1 2 332.423 3.211 10 70 EGIELO CC(C)c1ccc(/C=C/CC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000159549301 307875565 /nfs/dbraw/zinc/87/55/65/307875565.db2.gz KYCDLMJZABVRRV-LAQIPUCWSA-N 1 2 330.472 3.050 10 70 EGIELO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(C)=O)cc1)c1nccs1 ZINC000161083477 307898143 /nfs/dbraw/zinc/89/81/43/307898143.db2.gz SVKOLMSQAACYCZ-ABAIWWIYSA-N 1 2 331.441 3.414 10 70 EGIELO CCCc1ccc(-c2cc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)n[nH]2)cc1 ZINC000160111671 455429806 /nfs/dbraw/zinc/42/98/06/455429806.db2.gz NQMGXGDHHPIVJH-MRXNPFEDSA-N 1 2 349.438 3.427 10 70 EGIELO Cc1cc(C[C@H](C)NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)[nH]n1 ZINC000161292968 455556396 /nfs/dbraw/zinc/55/63/96/455556396.db2.gz ZMZKPJHANNJQQM-ZDUSSCGKSA-N 1 2 336.395 3.266 10 70 EGIELO CCCCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159900946 307881757 /nfs/dbraw/zinc/88/17/57/307881757.db2.gz QZAHDWRYBLUZDM-KGLIPLIRSA-N 1 2 340.431 3.405 10 70 EGIELO CCOC(=O)c1nc(C[N@H+](CCc2nccs2)C(C)C)cs1 ZINC000159752755 455400888 /nfs/dbraw/zinc/40/08/88/455400888.db2.gz XJIRMSYACJYMDV-UHFFFAOYSA-N 1 2 339.486 3.229 10 70 EGIELO CCOC(=O)c1nc(C[N@@H+](CCc2nccs2)C(C)C)cs1 ZINC000159752755 455400891 /nfs/dbraw/zinc/40/08/91/455400891.db2.gz XJIRMSYACJYMDV-UHFFFAOYSA-N 1 2 339.486 3.229 10 70 EGIELO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000160897659 455511148 /nfs/dbraw/zinc/51/11/48/455511148.db2.gz ASMSEVIJDAOXPN-GJZGRUSLSA-N 1 2 338.436 3.057 10 70 EGIELO CCc1c(C(=O)C[N@H+](CC)CCc2nccs2)[nH]c(C)c1C(C)=O ZINC000159363288 206241366 /nfs/dbraw/zinc/24/13/66/206241366.db2.gz RCOGLMJCWQCCRO-UHFFFAOYSA-N 1 2 347.484 3.292 10 70 EGIELO CCc1c(C(=O)C[N@@H+](CC)CCc2nccs2)[nH]c(C)c1C(C)=O ZINC000159363288 206241370 /nfs/dbraw/zinc/24/13/70/206241370.db2.gz RCOGLMJCWQCCRO-UHFFFAOYSA-N 1 2 347.484 3.292 10 70 EGIELO CC(C)CCn1ccc(NC(=O)NCc2[nH+]ccn2CC(C)C)n1 ZINC000159559013 455385648 /nfs/dbraw/zinc/38/56/48/455385648.db2.gz QMDTUNUISDPYCR-UHFFFAOYSA-N 1 2 332.452 3.103 10 70 EGIELO C[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2O)C[C@@H]1n1cc[nH+]c1 ZINC000160966210 455518716 /nfs/dbraw/zinc/51/87/16/455518716.db2.gz FWGUGWIBFIKBPO-HZMBPMFUSA-N 1 2 337.782 3.105 10 70 EGIELO CC(C)n1cc[nH+]c1CSc1nnc(COc2ccccc2)n1C ZINC000159395622 206243951 /nfs/dbraw/zinc/24/39/51/206243951.db2.gz LMHXCGFOFAXHHA-UHFFFAOYSA-N 1 2 343.456 3.464 10 70 EGIELO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160588409 455477453 /nfs/dbraw/zinc/47/74/53/455477453.db2.gz LTYIALSUTUHOFO-QGZVFWFLSA-N 1 2 326.444 3.350 10 70 EGIELO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160588409 455477457 /nfs/dbraw/zinc/47/74/57/455477457.db2.gz LTYIALSUTUHOFO-QGZVFWFLSA-N 1 2 326.444 3.350 10 70 EGIELO Cc1cc(C[C@@H](C)NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)[nH]n1 ZINC000161292823 455556427 /nfs/dbraw/zinc/55/64/27/455556427.db2.gz ZMZKPJHANNJQQM-CYBMUJFWSA-N 1 2 336.395 3.266 10 70 EGIELO CN(C)c1[nH+]cccc1CNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000159834396 282326744 /nfs/dbraw/zinc/32/67/44/282326744.db2.gz FWASCMJHPVNUDU-UHFFFAOYSA-N 1 2 342.830 3.141 10 70 EGIELO CCS[C@H](C)c1noc(C[N@H+](CC)CCc2nccs2)n1 ZINC000159413187 206244580 /nfs/dbraw/zinc/24/45/80/206244580.db2.gz IPDUVMGWDYWDLA-LLVKDONJSA-N 1 2 326.491 3.405 10 70 EGIELO CCS[C@H](C)c1noc(C[N@@H+](CC)CCc2nccs2)n1 ZINC000159413187 206244584 /nfs/dbraw/zinc/24/45/84/206244584.db2.gz IPDUVMGWDYWDLA-LLVKDONJSA-N 1 2 326.491 3.405 10 70 EGIELO CC(C)c1ccc(/C=C/CC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000159549160 455384298 /nfs/dbraw/zinc/38/42/98/455384298.db2.gz KYCDLMJZABVRRV-BDUNBXCCSA-N 1 2 330.472 3.050 10 70 EGIELO Cn1c(C[N@H+](C)CCOc2ccccc2F)nnc1-c1ccccc1 ZINC000160721215 455491728 /nfs/dbraw/zinc/49/17/28/455491728.db2.gz NNMIOBILGVFMCB-UHFFFAOYSA-N 1 2 340.402 3.132 10 70 EGIELO Cn1c(C[N@@H+](C)CCOc2ccccc2F)nnc1-c1ccccc1 ZINC000160721215 455491731 /nfs/dbraw/zinc/49/17/31/455491731.db2.gz NNMIOBILGVFMCB-UHFFFAOYSA-N 1 2 340.402 3.132 10 70 EGIELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1c(F)cccc1Cl ZINC000161210368 455548700 /nfs/dbraw/zinc/54/87/00/455548700.db2.gz IEUBXDFISMEZLS-UHFFFAOYSA-N 1 2 330.812 3.372 10 70 EGIELO CC(C)c1nc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)no1 ZINC000159487794 455380156 /nfs/dbraw/zinc/38/01/56/455380156.db2.gz VCCFQVGQYRSMBJ-AWEZNQCLSA-N 1 2 332.423 3.211 10 70 EGIELO CCCCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159900689 455413633 /nfs/dbraw/zinc/41/36/33/455413633.db2.gz QZAHDWRYBLUZDM-KBPBESRZSA-N 1 2 340.431 3.405 10 70 EGIELO CC[C@]1(C)C[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000160287557 455445428 /nfs/dbraw/zinc/44/54/28/455445428.db2.gz CTZWZRDZQWVXJG-TXPKVOOTSA-N 1 2 327.428 3.071 10 70 EGIELO c1cc(C2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)[nH]n1 ZINC000160534427 455471020 /nfs/dbraw/zinc/47/10/20/455471020.db2.gz BAVPKDAJUNFOTA-UHFFFAOYSA-N 1 2 325.441 3.308 10 70 EGIELO C[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2O)C[C@H]1n1cc[nH+]c1 ZINC000160966420 455518619 /nfs/dbraw/zinc/51/86/19/455518619.db2.gz FWGUGWIBFIKBPO-IINYFYTJSA-N 1 2 337.782 3.105 10 70 EGIELO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000160559908 455474091 /nfs/dbraw/zinc/47/40/91/455474091.db2.gz GQAIWXDAHZXFDI-OAHLLOKOSA-N 1 2 343.452 3.127 10 70 EGIELO Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000160559908 455474094 /nfs/dbraw/zinc/47/40/94/455474094.db2.gz GQAIWXDAHZXFDI-OAHLLOKOSA-N 1 2 343.452 3.127 10 70 EGIELO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(C)=O)cc1)c1nccs1 ZINC000161083612 455531001 /nfs/dbraw/zinc/53/10/01/455531001.db2.gz SVKOLMSQAACYCZ-IAQYHMDHSA-N 1 2 331.441 3.414 10 70 EGIELO COC(=O)c1cc(C[N@H+](C)Cc2cc(OC)ccc2OC)oc1C ZINC000159405524 533780938 /nfs/dbraw/zinc/78/09/38/533780938.db2.gz FKHLOMXUGPRGIX-UHFFFAOYSA-N 1 2 333.384 3.024 10 70 EGIELO COC(=O)c1cc(C[N@@H+](C)Cc2cc(OC)ccc2OC)oc1C ZINC000159405524 533780946 /nfs/dbraw/zinc/78/09/46/533780946.db2.gz FKHLOMXUGPRGIX-UHFFFAOYSA-N 1 2 333.384 3.024 10 70 EGIELO FC(F)Oc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000161447812 455571675 /nfs/dbraw/zinc/57/16/75/455571675.db2.gz FZWSYYMLABNRFI-CYBMUJFWSA-N 1 2 326.368 3.318 10 70 EGIELO FC(F)Oc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000161447812 455571680 /nfs/dbraw/zinc/57/16/80/455571680.db2.gz FZWSYYMLABNRFI-CYBMUJFWSA-N 1 2 326.368 3.318 10 70 EGIELO CCc1ccc(CC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000159619109 307876682 /nfs/dbraw/zinc/87/66/82/307876682.db2.gz NJLFUQTWCGUOJL-UHFFFAOYSA-N 1 2 327.815 3.409 10 70 EGIELO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C(C)=O)c1)c1nccs1 ZINC000161084275 307898038 /nfs/dbraw/zinc/89/80/38/307898038.db2.gz MFVBGCIBZPXHJW-NHYWBVRUSA-N 1 2 331.441 3.414 10 70 EGIELO C[C@H]1C[NH+]=C(N2CCN(c3ccnc4c(F)cc(F)cc34)CC2)S1 ZINC000159658640 455393768 /nfs/dbraw/zinc/39/37/68/455393768.db2.gz SJAZKONXWIYFCB-NSHDSACASA-N 1 2 348.422 3.126 10 70 EGIELO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000160608109 455480628 /nfs/dbraw/zinc/48/06/28/455480628.db2.gz NDVORXFXGBFYCV-QZTJIDSGSA-N 1 2 345.487 3.152 10 70 EGIELO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)sc2C1 ZINC000161280982 455555483 /nfs/dbraw/zinc/55/54/83/455555483.db2.gz YWLZHNITFQCSEJ-ZYHUDNBSSA-N 1 2 349.406 3.151 10 70 EGIELO C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)sc2C1 ZINC000161280982 455555487 /nfs/dbraw/zinc/55/54/87/455555487.db2.gz YWLZHNITFQCSEJ-ZYHUDNBSSA-N 1 2 349.406 3.151 10 70 EGIELO FC(F)Oc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000161447664 455571175 /nfs/dbraw/zinc/57/11/75/455571175.db2.gz FZWSYYMLABNRFI-ZDUSSCGKSA-N 1 2 326.368 3.318 10 70 EGIELO FC(F)Oc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000161447664 455571179 /nfs/dbraw/zinc/57/11/79/455571179.db2.gz FZWSYYMLABNRFI-ZDUSSCGKSA-N 1 2 326.368 3.318 10 70 EGIELO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1nccs1 ZINC000161137028 307898885 /nfs/dbraw/zinc/89/88/85/307898885.db2.gz PDEGPOGQTOKCCO-CABZTGNLSA-N 1 2 325.384 3.489 10 70 EGIELO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159813199 455406165 /nfs/dbraw/zinc/40/61/65/455406165.db2.gz HVARIEIGCJITHD-QWHCGFSZSA-N 1 2 326.404 3.186 10 70 EGIELO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC(c3ccccc3)=N2)n1 ZINC000160086141 455427633 /nfs/dbraw/zinc/42/76/33/455427633.db2.gz YJQOWGPHFYVALF-FQEVSTJZSA-N 1 2 348.450 3.164 10 70 EGIELO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC(c3ccccc3)=N2)n1 ZINC000160086141 455427636 /nfs/dbraw/zinc/42/76/36/455427636.db2.gz YJQOWGPHFYVALF-FQEVSTJZSA-N 1 2 348.450 3.164 10 70 EGIELO Cc1cc(NCc2nnc(C3CC3)n2C2CC2)nc(-c2cccnc2)[nH+]1 ZINC000160336448 534001554 /nfs/dbraw/zinc/00/15/54/534001554.db2.gz WJFQSYZXCZXDGR-UHFFFAOYSA-N 1 2 347.426 3.263 10 70 EGIELO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCC(F)(F)CC1 ZINC000159946038 225308394 /nfs/dbraw/zinc/30/83/94/225308394.db2.gz KVSBNSZVILNXCL-UHFFFAOYSA-N 1 2 337.345 3.453 10 70 EGIELO C[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000159413171 455375560 /nfs/dbraw/zinc/37/55/60/455375560.db2.gz JUMXBLKWOOHHQT-AWEZNQCLSA-N 1 2 341.436 3.449 10 70 EGIELO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160665010 455486094 /nfs/dbraw/zinc/48/60/94/455486094.db2.gz IOVZCDHZLBMTSX-QGZVFWFLSA-N 1 2 326.444 3.350 10 70 EGIELO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160665010 455486098 /nfs/dbraw/zinc/48/60/98/455486098.db2.gz IOVZCDHZLBMTSX-QGZVFWFLSA-N 1 2 326.444 3.350 10 70 EGIELO Cc1ccc(C[N@@H+](C)Cc2c(C)nn(C)c2OCC(F)(F)F)o1 ZINC000160874410 455507252 /nfs/dbraw/zinc/50/72/52/455507252.db2.gz FYVKJZRXXDHESX-UHFFFAOYSA-N 1 2 331.338 3.203 10 70 EGIELO Cc1ccc(C[N@H+](C)Cc2c(C)nn(C)c2OCC(F)(F)F)o1 ZINC000160874410 455507260 /nfs/dbraw/zinc/50/72/60/455507260.db2.gz FYVKJZRXXDHESX-UHFFFAOYSA-N 1 2 331.338 3.203 10 70 EGIELO CC1(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000161131567 455538252 /nfs/dbraw/zinc/53/82/52/455538252.db2.gz GEARXJQXSJLOEU-CYBMUJFWSA-N 1 2 337.414 3.171 10 70 EGIELO CC1(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000161131567 455538254 /nfs/dbraw/zinc/53/82/54/455538254.db2.gz GEARXJQXSJLOEU-CYBMUJFWSA-N 1 2 337.414 3.171 10 70 EGIELO Cc1cc(N[C@H](CC(N)=O)C2CCCCC2)nc(-c2cccnc2)[nH+]1 ZINC000161403027 455567117 /nfs/dbraw/zinc/56/71/17/455567117.db2.gz NOCMWIDNGOTGKI-MRXNPFEDSA-N 1 2 339.443 3.083 10 70 EGIELO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159813350 307880506 /nfs/dbraw/zinc/88/05/06/307880506.db2.gz HVARIEIGCJITHD-STQMWFEESA-N 1 2 326.404 3.186 10 70 EGIELO C[C@@H](CCn1cccn1)[NH2+]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000159382301 533697660 /nfs/dbraw/zinc/69/76/60/533697660.db2.gz HWUQZAHQSYTNAR-ZYSHUDEJSA-N 1 2 329.444 3.456 10 70 EGIELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1c(F)cc(F)cc1F ZINC000159619532 455390396 /nfs/dbraw/zinc/39/03/96/455390396.db2.gz OQNCCBBWXDWSKN-UHFFFAOYSA-N 1 2 339.704 3.335 10 70 EGIELO O=C(Cc1cn2ccccc2[nH+]1)N1CC=C(c2ccccc2F)CC1 ZINC000159648176 455393101 /nfs/dbraw/zinc/39/31/01/455393101.db2.gz PDPVVJKJGMZIRT-UHFFFAOYSA-N 1 2 335.382 3.332 10 70 EGIELO Cc1[nH]nc(C(C)C)c1C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000159551906 455385665 /nfs/dbraw/zinc/38/56/65/455385665.db2.gz CKXFGVOPUQAKQK-UHFFFAOYSA-N 1 2 339.443 3.320 10 70 EGIELO Cc1n[nH]c(C(C)C)c1C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000159551906 455385668 /nfs/dbraw/zinc/38/56/68/455385668.db2.gz CKXFGVOPUQAKQK-UHFFFAOYSA-N 1 2 339.443 3.320 10 70 EGIELO Cc1ccc2oc(N3CC[NH+](Cc4cnc5ccccn45)CC3)nc2c1 ZINC000159919525 455415208 /nfs/dbraw/zinc/41/52/08/455415208.db2.gz MXUAYZLRPBHINS-UHFFFAOYSA-N 1 2 347.422 3.106 10 70 EGIELO C[C@@]1(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCS1 ZINC000160614711 455480637 /nfs/dbraw/zinc/48/06/37/455480637.db2.gz WJDVZZAFIAZLKA-SFHVURJKSA-N 1 2 344.484 3.016 10 70 EGIELO CC[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1nccs1 ZINC000161162797 455542030 /nfs/dbraw/zinc/54/20/30/455542030.db2.gz BQQRMEIJQFSUEG-GJZGRUSLSA-N 1 2 333.432 3.343 10 70 EGIELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1ccc(OC(F)F)cc1 ZINC000161221793 455549233 /nfs/dbraw/zinc/54/92/33/455549233.db2.gz FDMRHYHWQKMIGS-UHFFFAOYSA-N 1 2 344.383 3.180 10 70 EGIELO C[N@@H+]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160706913 455489973 /nfs/dbraw/zinc/48/99/73/455489973.db2.gz FIYLCSYNMLKMFN-SJORKVTESA-N 1 2 337.414 3.342 10 70 EGIELO C[N@H+]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160706913 455489977 /nfs/dbraw/zinc/48/99/77/455489977.db2.gz FIYLCSYNMLKMFN-SJORKVTESA-N 1 2 337.414 3.342 10 70 EGIELO Cc1cccc2[nH+]c(CN[C@@H](C)c3cn(-c4ccccc4)nn3)cn21 ZINC000160307355 455446466 /nfs/dbraw/zinc/44/64/66/455446466.db2.gz NPPCVPITNXPENQ-HNNXBMFYSA-N 1 2 332.411 3.074 10 70 EGIELO Cc1cccc2nc(C[NH2+][C@@H](C)c3cn(-c4ccccc4)nn3)cn21 ZINC000160307355 455446473 /nfs/dbraw/zinc/44/64/73/455446473.db2.gz NPPCVPITNXPENQ-HNNXBMFYSA-N 1 2 332.411 3.074 10 70 EGIELO C[C@H]1C[N@H+](Cc2cnc3ccccn23)C[C@H](c2ccc(F)cc2)O1 ZINC000160611152 455479984 /nfs/dbraw/zinc/47/99/84/455479984.db2.gz CRPBVZVTKZRPCK-KBXCAEBGSA-N 1 2 325.387 3.435 10 70 EGIELO C[C@H]1C[N@@H+](Cc2cnc3ccccn23)C[C@H](c2ccc(F)cc2)O1 ZINC000160611152 455479990 /nfs/dbraw/zinc/47/99/90/455479990.db2.gz CRPBVZVTKZRPCK-KBXCAEBGSA-N 1 2 325.387 3.435 10 70 EGIELO CCc1cccc(CC)c1NC(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161082269 455530681 /nfs/dbraw/zinc/53/06/81/455530681.db2.gz RMNAHIFPTUPNNW-UHFFFAOYSA-N 1 2 328.460 3.006 10 70 EGIELO CCc1cccc(CC)c1NC(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161082269 455530684 /nfs/dbraw/zinc/53/06/84/455530684.db2.gz RMNAHIFPTUPNNW-UHFFFAOYSA-N 1 2 328.460 3.006 10 70 EGIELO Cc1cc(NCc2nnc(C3CC3)n2C2CC2)nc(-c2ccncc2)[nH+]1 ZINC000160332779 534000237 /nfs/dbraw/zinc/00/02/37/534000237.db2.gz CNPWIDZMZSMFGW-UHFFFAOYSA-N 1 2 347.426 3.263 10 70 EGIELO CCc1cccc(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000160930463 546952282 /nfs/dbraw/zinc/95/22/82/546952282.db2.gz OTHMEZDEBPOHIL-UHFFFAOYSA-N 1 2 338.451 3.262 10 70 EGIELO CC(C)(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1F ZINC000161461570 455572154 /nfs/dbraw/zinc/57/21/54/455572154.db2.gz GFKYLURNGKGITP-UHFFFAOYSA-N 1 2 338.386 3.000 10 70 EGIELO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)no1 ZINC000160723460 546949807 /nfs/dbraw/zinc/94/98/07/546949807.db2.gz GEQXJOPMYGENRS-BEFAXECRSA-N 1 2 327.428 3.172 10 70 EGIELO Cc1ccccc1-c1nc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)no1 ZINC000160723460 546949810 /nfs/dbraw/zinc/94/98/10/546949810.db2.gz GEQXJOPMYGENRS-BEFAXECRSA-N 1 2 327.428 3.172 10 70 EGIELO CC[C@]1(C)C[C@@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000160287294 455445345 /nfs/dbraw/zinc/44/53/45/455445345.db2.gz CTZWZRDZQWVXJG-JTDSTZFVSA-N 1 2 327.428 3.071 10 70 EGIELO Cc1cc(N[C@H](CC(N)=O)C2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000161405930 455566399 /nfs/dbraw/zinc/56/63/99/455566399.db2.gz ISZHHIBDGJUNEA-MRXNPFEDSA-N 1 2 339.443 3.083 10 70 EGIELO C[C@H](c1nnc(-c2ccccc2)o1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161206359 307900265 /nfs/dbraw/zinc/90/02/65/307900265.db2.gz SSNUUWLRLQIEIH-MRXNPFEDSA-N 1 2 349.438 3.010 10 70 EGIELO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)no1 ZINC000160723334 546949707 /nfs/dbraw/zinc/94/97/07/546949707.db2.gz GEQXJOPMYGENRS-DNVCBOLYSA-N 1 2 327.428 3.172 10 70 EGIELO Cc1ccccc1-c1nc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)no1 ZINC000160723334 546949716 /nfs/dbraw/zinc/94/97/16/546949716.db2.gz GEQXJOPMYGENRS-DNVCBOLYSA-N 1 2 327.428 3.172 10 70 EGIELO CCCC1(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CCC1 ZINC000160178538 528051939 /nfs/dbraw/zinc/05/19/39/528051939.db2.gz UYYFOAVEVAOOPL-UHFFFAOYSA-N 1 2 327.432 3.037 10 70 EGIELO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1CCC(F)(F)CC1 ZINC000159515629 546939415 /nfs/dbraw/zinc/93/94/15/546939415.db2.gz JKKVNSHRRRSKIA-UHFFFAOYSA-N 1 2 338.398 3.283 10 70 EGIELO CC1(C)CCC[C@@H](CC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000160265029 455442886 /nfs/dbraw/zinc/44/28/86/455442886.db2.gz YRPHOXHRFYEJJP-SFHVURJKSA-N 1 2 329.488 3.332 10 70 EGIELO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)n1 ZINC000160577573 455476643 /nfs/dbraw/zinc/47/66/43/455476643.db2.gz XCWRBQAFVRFEJO-INIZCTEOSA-N 1 2 343.427 3.099 10 70 EGIELO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)n1 ZINC000160577573 455476648 /nfs/dbraw/zinc/47/66/48/455476648.db2.gz XCWRBQAFVRFEJO-INIZCTEOSA-N 1 2 343.427 3.099 10 70 EGIELO C[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)sc2C1 ZINC000161281127 455555814 /nfs/dbraw/zinc/55/58/14/455555814.db2.gz YWLZHNITFQCSEJ-PWSUYJOCSA-N 1 2 349.406 3.151 10 70 EGIELO C[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)sc2C1 ZINC000161281127 455555819 /nfs/dbraw/zinc/55/58/19/455555819.db2.gz YWLZHNITFQCSEJ-PWSUYJOCSA-N 1 2 349.406 3.151 10 70 EGIELO CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000159478728 528492302 /nfs/dbraw/zinc/49/23/02/528492302.db2.gz YIUFETMFSAHUOH-LJQANCHMSA-N 1 2 348.450 3.398 10 70 EGIELO COC(=O)c1occc1CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000159476832 307874328 /nfs/dbraw/zinc/87/43/28/307874328.db2.gz QXDOKHJEHCJRTP-CQSZACIVSA-N 1 2 346.402 3.084 10 70 EGIELO CCCC1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000160679487 455487214 /nfs/dbraw/zinc/48/72/14/455487214.db2.gz MTZSELUFZCXCTB-UHFFFAOYSA-N 1 2 330.476 3.320 10 70 EGIELO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000160897519 455510931 /nfs/dbraw/zinc/51/09/31/455510931.db2.gz ASMSEVIJDAOXPN-CABCVRRESA-N 1 2 338.436 3.057 10 70 EGIELO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cn1 ZINC000161464497 546956051 /nfs/dbraw/zinc/95/60/51/546956051.db2.gz RAKBJMAKCYXSSO-UHFFFAOYSA-N 1 2 339.443 3.487 10 70 EGIELO C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161290970 455556196 /nfs/dbraw/zinc/55/61/96/455556196.db2.gz GSEQTMIQTLSWRM-BHEFUSTPSA-N 1 2 325.387 3.019 10 70 EGIELO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000160593049 546948502 /nfs/dbraw/zinc/94/85/02/546948502.db2.gz YPXWHTDAYCIQPK-LURJTMIESA-N 1 2 347.139 3.462 10 70 EGIELO CC(C)c1nnc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000159492507 307874779 /nfs/dbraw/zinc/87/47/79/307874779.db2.gz SZDGNNCDRRUJCR-AWEZNQCLSA-N 1 2 332.423 3.211 10 70 EGIELO CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1[nH+]ccn1C ZINC000160729006 455492970 /nfs/dbraw/zinc/49/29/70/455492970.db2.gz JXJYNDJSROPBOB-UHFFFAOYSA-N 1 2 341.242 3.188 10 70 EGIELO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000160608347 455479902 /nfs/dbraw/zinc/47/99/02/455479902.db2.gz NDVORXFXGBFYCV-ZWKOTPCHSA-N 1 2 345.487 3.152 10 70 EGIELO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C(C)=O)c1)c1nccs1 ZINC000161084648 455531442 /nfs/dbraw/zinc/53/14/42/455531442.db2.gz MFVBGCIBZPXHJW-IAQYHMDHSA-N 1 2 331.441 3.414 10 70 EGIELO OC[C@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC000161431523 455569858 /nfs/dbraw/zinc/56/98/58/455569858.db2.gz KUOOQAKJSZOPJW-HNNXBMFYSA-N 1 2 346.228 3.149 10 70 EGIELO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000160593174 546948767 /nfs/dbraw/zinc/94/87/67/546948767.db2.gz YPXWHTDAYCIQPK-ZCFIWIBFSA-N 1 2 347.139 3.462 10 70 EGIELO C[C@@H](NC(=O)N(C)CC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000159580807 307876069 /nfs/dbraw/zinc/87/60/69/307876069.db2.gz GXLWFIHZXMPIKR-OAHLLOKOSA-N 1 2 342.443 3.001 10 70 EGIELO COC(=O)c1cccc(CNc2cc(C)[nH+]c(-c3ccncc3)n2)c1 ZINC000161213629 307900121 /nfs/dbraw/zinc/90/01/21/307900121.db2.gz FRRLBOIFDQHSGT-UHFFFAOYSA-N 1 2 334.379 3.246 10 70 EGIELO Brc1ccc2nc(C[N@@H+]3CCCSCC3)[nH]c2c1 ZINC000161184263 455545762 /nfs/dbraw/zinc/54/57/62/455545762.db2.gz DBCAEVQBJBAKQW-UHFFFAOYSA-N 1 2 326.263 3.264 10 70 EGIELO Brc1ccc2nc(C[N@H+]3CCCSCC3)[nH]c2c1 ZINC000161184263 455545766 /nfs/dbraw/zinc/54/57/66/455545766.db2.gz DBCAEVQBJBAKQW-UHFFFAOYSA-N 1 2 326.263 3.264 10 70 EGIELO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1F)c1nccs1 ZINC000161092023 307898260 /nfs/dbraw/zinc/89/82/60/307898260.db2.gz PDRZQVDUVPGPSN-BXKDBHETSA-N 1 2 325.384 3.489 10 70 EGIELO CCc1cccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000161154888 307899135 /nfs/dbraw/zinc/89/91/35/307899135.db2.gz FKOVXIAVQHSKGP-UHFFFAOYSA-N 1 2 337.398 3.433 10 70 EGIELO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)n1 ZINC000160577436 455476779 /nfs/dbraw/zinc/47/67/79/455476779.db2.gz XCWRBQAFVRFEJO-MRXNPFEDSA-N 1 2 343.427 3.099 10 70 EGIELO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)n1 ZINC000160577436 455476781 /nfs/dbraw/zinc/47/67/81/455476781.db2.gz XCWRBQAFVRFEJO-MRXNPFEDSA-N 1 2 343.427 3.099 10 70 EGIELO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160538878 455471594 /nfs/dbraw/zinc/47/15/94/455471594.db2.gz CSCTYTYPWBGLKG-LJQANCHMSA-N 1 2 340.471 3.199 10 70 EGIELO COC(=O)CCN(Cc1ccc(F)c(F)c1)c1cc[nH+]c(C2CC2)n1 ZINC000161245712 455552477 /nfs/dbraw/zinc/55/24/77/455552477.db2.gz VSJOFCVIZNRMCI-UHFFFAOYSA-N 1 2 347.365 3.202 10 70 EGIELO C[C@@H]1C[NH+]=C(N2CCN(c3ccnc4c(F)cc(F)cc34)CC2)S1 ZINC000159658503 274375352 /nfs/dbraw/zinc/37/53/52/274375352.db2.gz SJAZKONXWIYFCB-LLVKDONJSA-N 1 2 348.422 3.126 10 70 EGIELO CCCCc1noc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000159482242 307874738 /nfs/dbraw/zinc/87/47/38/307874738.db2.gz XPGWVEOLMNIIQG-HNNXBMFYSA-N 1 2 346.450 3.430 10 70 EGIELO CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000159837541 455407704 /nfs/dbraw/zinc/40/77/04/455407704.db2.gz AZMNLLXGCLQEEV-SFHVURJKSA-N 1 2 325.456 3.279 10 70 EGIELO Cc1ccc(C(=O)CCN2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000159513700 225232078 /nfs/dbraw/zinc/23/20/78/225232078.db2.gz IVOGAVSYMHGWGO-UHFFFAOYSA-N 1 2 325.456 3.483 10 70 EGIELO CC[N@H+](CCc1nccs1)Cc1nc(CCc2ccccc2)no1 ZINC000159419014 455376740 /nfs/dbraw/zinc/37/67/40/455376740.db2.gz LFCMRJHBRCVDBS-UHFFFAOYSA-N 1 2 342.468 3.376 10 70 EGIELO CC[N@@H+](CCc1nccs1)Cc1nc(CCc2ccccc2)no1 ZINC000159419014 455376744 /nfs/dbraw/zinc/37/67/44/455376744.db2.gz LFCMRJHBRCVDBS-UHFFFAOYSA-N 1 2 342.468 3.376 10 70 EGIELO COC(=O)c1ccc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000159462264 455378089 /nfs/dbraw/zinc/37/80/89/455378089.db2.gz RHGFTLIOSNJRLV-AWEZNQCLSA-N 1 2 346.402 3.084 10 70 EGIELO CC(=O)c1cccc(NC(=O)C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159879960 455412535 /nfs/dbraw/zinc/41/25/35/455412535.db2.gz CGHKPXVGPHYYNF-UHFFFAOYSA-N 1 2 345.468 3.237 10 70 EGIELO CC(=O)c1cccc(NC(=O)C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159879960 455412538 /nfs/dbraw/zinc/41/25/38/455412538.db2.gz CGHKPXVGPHYYNF-UHFFFAOYSA-N 1 2 345.468 3.237 10 70 EGIELO CCCc1ccc(-c2cc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)n[nH]2)cc1 ZINC000160111819 455429838 /nfs/dbraw/zinc/42/98/38/455429838.db2.gz NQMGXGDHHPIVJH-INIZCTEOSA-N 1 2 349.438 3.427 10 70 EGIELO CC(C)Oc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159469613 528221969 /nfs/dbraw/zinc/22/19/69/528221969.db2.gz GXJBFMJGZIBTMX-MJGOQNOKSA-N 1 2 345.439 3.391 10 70 EGIELO CC(C)Oc1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159469613 528221976 /nfs/dbraw/zinc/22/19/76/528221976.db2.gz GXJBFMJGZIBTMX-MJGOQNOKSA-N 1 2 345.439 3.391 10 70 EGIELO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1nc(C(C)(C)C)no1 ZINC000159939517 455417673 /nfs/dbraw/zinc/41/76/73/455417673.db2.gz CWKBAABHWVFUOG-QWHCGFSZSA-N 1 2 340.431 3.360 10 70 EGIELO CCCCc1noc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000159482385 455379305 /nfs/dbraw/zinc/37/93/05/455379305.db2.gz XPGWVEOLMNIIQG-OAHLLOKOSA-N 1 2 346.450 3.430 10 70 EGIELO CC(C)c1nnc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000159492628 455380276 /nfs/dbraw/zinc/38/02/76/455380276.db2.gz SZDGNNCDRRUJCR-CQSZACIVSA-N 1 2 332.423 3.211 10 70 EGIELO Cc1[nH]nc(C(C)C)c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159825650 455407293 /nfs/dbraw/zinc/40/72/93/455407293.db2.gz LMYCVGZQZZTLBU-UHFFFAOYSA-N 1 2 337.427 3.016 10 70 EGIELO Cc1n[nH]c(C(C)C)c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159825650 455407296 /nfs/dbraw/zinc/40/72/96/455407296.db2.gz LMYCVGZQZZTLBU-UHFFFAOYSA-N 1 2 337.427 3.016 10 70 EGIELO CCCCn1ncc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1C ZINC000161483951 455573611 /nfs/dbraw/zinc/57/36/11/455573611.db2.gz KOXLQUYCKGDBCN-UHFFFAOYSA-N 1 2 345.834 3.223 10 70 EGIELO CC(=O)c1ccc(CNc2cc(C)[nH+]c(-c3cccnc3)n2)nc1C ZINC000159699618 455396448 /nfs/dbraw/zinc/39/64/48/455396448.db2.gz SSQQWWYBSMVYCT-UHFFFAOYSA-N 1 2 333.395 3.365 10 70 EGIELO CC1(C)CCC[C@H](CC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000160264907 455442251 /nfs/dbraw/zinc/44/22/51/455442251.db2.gz YRPHOXHRFYEJJP-GOSISDBHSA-N 1 2 329.488 3.332 10 70 EGIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)Cc3ccc(C)o3)c2c1 ZINC000160463906 455462752 /nfs/dbraw/zinc/46/27/52/455462752.db2.gz QIZUZEDLSIUHBR-UHFFFAOYSA-N 1 2 340.379 3.171 10 70 EGIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)Cc3ccc(C)o3)c2c1 ZINC000160463906 455462758 /nfs/dbraw/zinc/46/27/58/455462758.db2.gz QIZUZEDLSIUHBR-UHFFFAOYSA-N 1 2 340.379 3.171 10 70 EGIELO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160537011 455471681 /nfs/dbraw/zinc/47/16/81/455471681.db2.gz CQCGLNRVDQUEAS-HNNXBMFYSA-N 1 2 326.444 3.233 10 70 EGIELO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000160560044 455473791 /nfs/dbraw/zinc/47/37/91/455473791.db2.gz GQAIWXDAHZXFDI-HNNXBMFYSA-N 1 2 343.452 3.127 10 70 EGIELO Cc1ccc(C(=O)CC[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000160560044 455473795 /nfs/dbraw/zinc/47/37/95/455473795.db2.gz GQAIWXDAHZXFDI-HNNXBMFYSA-N 1 2 343.452 3.127 10 70 EGIELO CC[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1nccs1 ZINC000161162945 455542390 /nfs/dbraw/zinc/54/23/90/455542390.db2.gz BQQRMEIJQFSUEG-CABCVRRESA-N 1 2 333.432 3.343 10 70 EGIELO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000161285011 455555775 /nfs/dbraw/zinc/55/57/75/455555775.db2.gz GLDXUJNHOZLHCP-OAHLLOKOSA-N 1 2 331.441 3.123 10 70 EGIELO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000161285011 455555780 /nfs/dbraw/zinc/55/57/80/455555780.db2.gz GLDXUJNHOZLHCP-OAHLLOKOSA-N 1 2 331.441 3.123 10 70 EGIELO