smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1cccc(-c2ccccn2)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000160379011 326963787 /nfs/dbraw/zinc/96/37/87/326963787.db2.gz GDIXSYOMSKJNBE-IBGZPJMESA-N 1 2 366.465 2.365 10 70 FEIELO CS(=O)(=O)CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161106324 546100435 /nfs/dbraw/zinc/10/04/35/546100435.db2.gz BOBSETOLEFBCOC-UONOGXRCSA-N 1 2 351.390 2.248 10 70 FEIELO CS(=O)(=O)CCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161106324 546100438 /nfs/dbraw/zinc/10/04/38/546100438.db2.gz BOBSETOLEFBCOC-UONOGXRCSA-N 1 2 351.390 2.248 10 70 FEIELO C[C@H](NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000161181825 546107477 /nfs/dbraw/zinc/10/74/77/546107477.db2.gz KJEICUJBCZOYAC-ROUUACIJSA-N 1 2 352.482 2.465 10 70 FEIELO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000161181825 546107481 /nfs/dbraw/zinc/10/74/81/546107481.db2.gz KJEICUJBCZOYAC-ROUUACIJSA-N 1 2 352.482 2.465 10 70 FEIELO CCOc1cc(C)nc(N2CC[NH+](Cc3cnc4ccccn34)CC2)n1 ZINC000160048037 326951662 /nfs/dbraw/zinc/95/16/62/326951662.db2.gz KBVWWLZZCYCKLD-UHFFFAOYSA-N 1 2 352.442 2.154 10 70 FEIELO CC(C)n1cccc1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000160932034 546085715 /nfs/dbraw/zinc/08/57/15/546085715.db2.gz KWHKDKCVXPNCSG-GOSISDBHSA-N 1 2 371.481 2.267 10 70 FEIELO CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1CCS(=O)(=O)[C@@H](C)C1 ZINC000160732838 326975213 /nfs/dbraw/zinc/97/52/13/326975213.db2.gz AGQJXHJUDMPMII-ZDUSSCGKSA-N 1 2 362.451 2.343 10 70 FEIELO CC(C)n1cccc1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000160931878 326982464 /nfs/dbraw/zinc/98/24/64/326982464.db2.gz KWHKDKCVXPNCSG-SFHVURJKSA-N 1 2 371.481 2.267 10 70 FEIELO COCCC1(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CC1 ZINC000161071816 546098479 /nfs/dbraw/zinc/09/84/79/546098479.db2.gz DEFVXZYADNSOOS-UHFFFAOYSA-N 1 2 352.504 2.095 10 70 FEIELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160602928 546055928 /nfs/dbraw/zinc/05/59/28/546055928.db2.gz KFYLVIHVLDUGGS-ZFWWWQNUSA-N 1 2 359.392 2.180 10 70 FEIELO COC[C@@H](NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1)C1CC1 ZINC000160720304 326975040 /nfs/dbraw/zinc/97/50/40/326975040.db2.gz DCUMTGGSULYJBP-HZPDHXFCSA-N 1 2 367.515 2.154 10 70 FEIELO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1nnc2n1CCCC2 ZINC000159373419 545947855 /nfs/dbraw/zinc/94/78/55/545947855.db2.gz ZWFNFIAERNXSLZ-AWEZNQCLSA-N 1 2 369.473 2.170 10 70 FEIELO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161145878 546104226 /nfs/dbraw/zinc/10/42/26/546104226.db2.gz QMWIBFLGWGGSHO-ZIAGYGMSSA-N 1 2 373.375 2.049 10 70 FEIELO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161145878 546104231 /nfs/dbraw/zinc/10/42/31/546104231.db2.gz QMWIBFLGWGGSHO-ZIAGYGMSSA-N 1 2 373.375 2.049 10 70 FEIELO Brc1ccc2[nH]c(CN3CC[C@@H]([NH+]4CCOCC4)C3)nc2c1 ZINC000159825105 545984292 /nfs/dbraw/zinc/98/42/92/545984292.db2.gz LZQDJHUEAOTWCD-CYBMUJFWSA-N 1 2 365.275 2.232 10 70 FEIELO CCC(CC)CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000160561095 326969716 /nfs/dbraw/zinc/96/97/16/326969716.db2.gz QGIXXBPAXCUHIL-SFHVURJKSA-N 1 2 363.502 2.190 10 70 FEIELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCCc3cscn3)CC2)cs1 ZINC000159484651 545957766 /nfs/dbraw/zinc/95/77/66/545957766.db2.gz FDBCTEDVHXIXJH-UHFFFAOYSA-N 1 2 365.528 2.368 10 70 FEIELO Cc1nc(C[N@H+]2CCCN(C(=O)NCCc3cscn3)CC2)cs1 ZINC000159484651 545957769 /nfs/dbraw/zinc/95/77/69/545957769.db2.gz FDBCTEDVHXIXJH-UHFFFAOYSA-N 1 2 365.528 2.368 10 70 FEIELO COC[C@H](NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000160721471 546066203 /nfs/dbraw/zinc/06/62/03/546066203.db2.gz FJHNEARRIKDKIM-KBMXLJTQSA-N 1 2 367.515 2.234 10 70 FEIELO COC[C@H](NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000160721471 546066208 /nfs/dbraw/zinc/06/62/08/546066208.db2.gz FJHNEARRIKDKIM-KBMXLJTQSA-N 1 2 367.515 2.234 10 70 FEIELO CS(=O)(=O)CCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161106207 546100768 /nfs/dbraw/zinc/10/07/68/546100768.db2.gz BOBSETOLEFBCOC-ZIAGYGMSSA-N 1 2 351.390 2.248 10 70 FEIELO CS(=O)(=O)CCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161106207 546100774 /nfs/dbraw/zinc/10/07/74/546100774.db2.gz BOBSETOLEFBCOC-ZIAGYGMSSA-N 1 2 351.390 2.248 10 70 FEIELO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000161167006 546106278 /nfs/dbraw/zinc/10/62/78/546106278.db2.gz KZLVOBLVMDJRJK-ZDUSSCGKSA-N 1 2 353.260 2.304 10 70 FEIELO C[C@H](CNC(=O)Cc1cccc(OCC(F)(F)F)c1)[NH+]1CCOCC1 ZINC000160832550 326978886 /nfs/dbraw/zinc/97/88/86/326978886.db2.gz HJQXNNKLYQKVDE-CYBMUJFWSA-N 1 2 360.376 2.007 10 70 FEIELO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000160206643 546018273 /nfs/dbraw/zinc/01/82/73/546018273.db2.gz IPWFEFSJPIWACX-CYBMUJFWSA-N 1 2 367.877 2.385 10 70 FEIELO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCOCC1 ZINC000161207515 546109323 /nfs/dbraw/zinc/10/93/23/546109323.db2.gz NWBRJTRSYCEUCN-CVEARBPZSA-N 1 2 372.387 2.108 10 70 FEIELO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCOCC1 ZINC000161207515 546109328 /nfs/dbraw/zinc/10/93/28/546109328.db2.gz NWBRJTRSYCEUCN-CVEARBPZSA-N 1 2 372.387 2.108 10 70 FEIELO C[C@@H](CNC(=O)Cc1cccc(OCC(F)(F)F)c1)[NH+]1CCOCC1 ZINC000160832414 546076698 /nfs/dbraw/zinc/07/66/98/546076698.db2.gz HJQXNNKLYQKVDE-ZDUSSCGKSA-N 1 2 360.376 2.007 10 70 FEIELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000159600123 326936582 /nfs/dbraw/zinc/93/65/82/326936582.db2.gz FKUMIRWVZOQQNH-QFBILLFUSA-N 1 2 355.442 2.104 10 70 FEIELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000159600256 545966622 /nfs/dbraw/zinc/96/66/22/545966622.db2.gz FKUMIRWVZOQQNH-LPHOPBHVSA-N 1 2 355.442 2.104 10 70 FEIELO C[C@@H](CNC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)[NH+]1CCOCC1 ZINC000159663706 545971468 /nfs/dbraw/zinc/97/14/68/545971468.db2.gz MJUZLXNGEUGHJY-WMLDXEAASA-N 1 2 367.877 2.223 10 70 FEIELO Cn1cnc(-c2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc2)n1 ZINC000160941117 546086267 /nfs/dbraw/zinc/08/62/67/546086267.db2.gz HGCAYGLUOOEYJA-MRXNPFEDSA-N 1 2 351.414 2.375 10 70 FEIELO Cc1c(C(=O)NC[C@H](C)[NH+]2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000161200890 546109659 /nfs/dbraw/zinc/10/96/59/546109659.db2.gz WVBOZEWYXOFQPK-INIZCTEOSA-N 1 2 356.470 2.248 10 70 FEIELO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000159408940 545951263 /nfs/dbraw/zinc/95/12/63/545951263.db2.gz XMPZNXCQNSPQDY-CYBMUJFWSA-N 1 2 372.517 2.215 10 70 FEIELO COC[C@H](NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1)C1CC1 ZINC000160720020 326974988 /nfs/dbraw/zinc/97/49/88/326974988.db2.gz DCUMTGGSULYJBP-JKSUJKDBSA-N 1 2 367.515 2.154 10 70 FEIELO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000159527069 326934231 /nfs/dbraw/zinc/93/42/31/326934231.db2.gz YPRJAICWHVLEMR-HZPDHXFCSA-N 1 2 368.485 2.228 10 70 FEIELO CC[C@H]1CN(C(=O)c2ccc(Br)c(O)c2)CC[N@@H+]1CCOC ZINC000160925781 546085488 /nfs/dbraw/zinc/08/54/88/546085488.db2.gz NACOJDZUHUQJOG-ZDUSSCGKSA-N 1 2 371.275 2.338 10 70 FEIELO CC[C@H]1CN(C(=O)c2ccc(Br)c(O)c2)CC[N@H+]1CCOC ZINC000160925781 546085492 /nfs/dbraw/zinc/08/54/92/546085492.db2.gz NACOJDZUHUQJOG-ZDUSSCGKSA-N 1 2 371.275 2.338 10 70 FEIELO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1nnc2n1CCCC2 ZINC000159373558 545948215 /nfs/dbraw/zinc/94/82/15/545948215.db2.gz ZWFNFIAERNXSLZ-CQSZACIVSA-N 1 2 369.473 2.170 10 70 FEIELO CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1CCS(=O)(=O)[C@H](C)C1 ZINC000160732703 546066772 /nfs/dbraw/zinc/06/67/72/546066772.db2.gz AGQJXHJUDMPMII-CYBMUJFWSA-N 1 2 362.451 2.343 10 70 FEIELO C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)[NH+]1CCOCC1 ZINC000159899571 326946300 /nfs/dbraw/zinc/94/63/00/326946300.db2.gz WJYNDOHHQZEXBO-DZGCQCFKSA-N 1 2 359.392 2.180 10 70 FEIELO CC(C)c1cc(C[N@@H+]2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)on1 ZINC000218401027 519833057 /nfs/dbraw/zinc/83/30/57/519833057.db2.gz LOMDOCQEAXUKKF-LJQANCHMSA-N 1 2 370.457 2.216 10 70 FEIELO CC(C)c1cc(C[N@H+]2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)on1 ZINC000218401027 519833058 /nfs/dbraw/zinc/83/30/58/519833058.db2.gz LOMDOCQEAXUKKF-LJQANCHMSA-N 1 2 370.457 2.216 10 70 FEIELO Cc1ncc(C[NH+]2CCN(C(=O)NCCCC(=O)OC(C)C)CC2)s1 ZINC000160142191 326955081 /nfs/dbraw/zinc/95/50/81/326955081.db2.gz OUAQNQITNCLWDV-UHFFFAOYSA-N 1 2 368.503 2.011 10 70 FEIELO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000160603181 326971047 /nfs/dbraw/zinc/97/10/47/326971047.db2.gz KFYLVIHVLDUGGS-DZGCQCFKSA-N 1 2 359.392 2.180 10 70 FEIELO CC(C)c1cc(C[N@@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)on1 ZINC000218401103 519832927 /nfs/dbraw/zinc/83/29/27/519832927.db2.gz LOMDOCQEAXUKKF-IBGZPJMESA-N 1 2 370.457 2.216 10 70 FEIELO CC(C)c1cc(C[N@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)on1 ZINC000218401103 519832928 /nfs/dbraw/zinc/83/29/28/519832928.db2.gz LOMDOCQEAXUKKF-IBGZPJMESA-N 1 2 370.457 2.216 10 70 FEIELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCOCC1 ZINC000161207390 546109471 /nfs/dbraw/zinc/10/94/71/546109471.db2.gz NWBRJTRSYCEUCN-JKSUJKDBSA-N 1 2 372.387 2.108 10 70 FEIELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCOCC1 ZINC000161207390 546109475 /nfs/dbraw/zinc/10/94/75/546109475.db2.gz NWBRJTRSYCEUCN-JKSUJKDBSA-N 1 2 372.387 2.108 10 70 FEIELO Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000160527441 546049096 /nfs/dbraw/zinc/04/90/96/546049096.db2.gz ZRHJTCOXVBKDHG-UHFFFAOYSA-N 1 2 351.458 2.392 10 70 FEIELO COc1nc(C)nc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1C ZINC000159423794 545952633 /nfs/dbraw/zinc/95/26/33/545952633.db2.gz HLLHBWGEDCBWRF-ZWKOTPCHSA-N 1 2 354.454 2.192 10 70 FEIELO COc1nc(C)nc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1C ZINC000159423794 545952636 /nfs/dbraw/zinc/95/26/36/545952636.db2.gz HLLHBWGEDCBWRF-ZWKOTPCHSA-N 1 2 354.454 2.192 10 70 FEIELO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000159527193 545960511 /nfs/dbraw/zinc/96/05/11/545960511.db2.gz YPRJAICWHVLEMR-CVEARBPZSA-N 1 2 368.485 2.228 10 70 FEIELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCOCC1 ZINC000161207643 546109062 /nfs/dbraw/zinc/10/90/62/546109062.db2.gz NWBRJTRSYCEUCN-HZPDHXFCSA-N 1 2 372.387 2.108 10 70 FEIELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCOCC1 ZINC000161207643 546109065 /nfs/dbraw/zinc/10/90/65/546109065.db2.gz NWBRJTRSYCEUCN-HZPDHXFCSA-N 1 2 372.387 2.108 10 70 FEIELO Clc1ccc(C2=NO[C@H](C[NH+]3CCN(c4ncccn4)CC3)C2)cc1 ZINC000159703710 326939720 /nfs/dbraw/zinc/93/97/20/326939720.db2.gz JJQMCLPEVPVVHY-INIZCTEOSA-N 1 2 357.845 2.445 10 70 FEIELO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000159527405 545960492 /nfs/dbraw/zinc/96/04/92/545960492.db2.gz YPRJAICWHVLEMR-HOTGVXAUSA-N 1 2 368.485 2.228 10 70 FEIELO COC[C@H](NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000160721612 546065957 /nfs/dbraw/zinc/06/59/57/546065957.db2.gz FJHNEARRIKDKIM-BPUTZDHNSA-N 1 2 367.515 2.234 10 70 FEIELO COC[C@H](NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000160721612 546065962 /nfs/dbraw/zinc/06/59/62/546065962.db2.gz FJHNEARRIKDKIM-BPUTZDHNSA-N 1 2 367.515 2.234 10 70 FEIELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000159599823 545966102 /nfs/dbraw/zinc/96/61/02/545966102.db2.gz FKUMIRWVZOQQNH-VQIMIIECSA-N 1 2 355.442 2.104 10 70 FEIELO COC(=O)[C@@H](c1cccnc1)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000159951638 545995219 /nfs/dbraw/zinc/99/52/19/545995219.db2.gz HLMXDUCJWIBCDZ-GOSISDBHSA-N 1 2 371.485 2.065 10 70 FEIELO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000161200762 546109497 /nfs/dbraw/zinc/10/94/97/546109497.db2.gz WVBOZEWYXOFQPK-MRXNPFEDSA-N 1 2 356.470 2.248 10 70 FEIELO COc1cc2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)[nH]c(=O)c2cc1OC ZINC000160541415 546050166 /nfs/dbraw/zinc/05/01/66/546050166.db2.gz RBGZBILWQRDSES-UHFFFAOYSA-N 1 2 369.425 2.043 10 70 FEIELO COC[C@@H](NC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1)C1CC1 ZINC000160720436 546066278 /nfs/dbraw/zinc/06/62/78/546066278.db2.gz DCUMTGGSULYJBP-CVEARBPZSA-N 1 2 367.515 2.154 10 70 FEIELO Cc1c(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cnn1-c1cc(C)ccc1C ZINC000160783006 546072749 /nfs/dbraw/zinc/07/27/49/546072749.db2.gz XDARTXLCOGHGLA-INIZCTEOSA-N 1 2 357.458 2.250 10 70 FEIELO Cc1c(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cnn1-c1cc(C)ccc1C ZINC000160783006 546072754 /nfs/dbraw/zinc/07/27/54/546072754.db2.gz XDARTXLCOGHGLA-INIZCTEOSA-N 1 2 357.458 2.250 10 70 FEIELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC2)s1 ZINC000160478078 546044359 /nfs/dbraw/zinc/04/43/59/546044359.db2.gz XLBFFCVTRHBQLK-WBVHZDCISA-N 1 2 364.515 2.236 10 70 FEIELO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000161167128 546106106 /nfs/dbraw/zinc/10/61/06/546106106.db2.gz KZLVOBLVMDJRJK-CYBMUJFWSA-N 1 2 353.260 2.304 10 70 FEIELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)CC2)s1 ZINC000160478471 546044146 /nfs/dbraw/zinc/04/41/46/546044146.db2.gz XLBFFCVTRHBQLK-DOTOQJQBSA-N 1 2 364.515 2.236 10 70 FEIELO O=C(NCc1cccc(-c2ccccn2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000160379119 326963790 /nfs/dbraw/zinc/96/37/90/326963790.db2.gz GDIXSYOMSKJNBE-LJQANCHMSA-N 1 2 366.465 2.365 10 70 FEIELO Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CCc4nc(C(C)C)nn4C3)cn21 ZINC000159544053 545961699 /nfs/dbraw/zinc/96/16/99/545961699.db2.gz OWACDSCYBCHRQY-CQSZACIVSA-N 1 2 367.457 2.172 10 70 FEIELO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160603043 546055950 /nfs/dbraw/zinc/05/59/50/546055950.db2.gz KFYLVIHVLDUGGS-HIFRSBDPSA-N 1 2 359.392 2.180 10 70 FEIELO COC[C@H](NC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1)C1CC1 ZINC000160720155 546065572 /nfs/dbraw/zinc/06/55/72/546065572.db2.gz DCUMTGGSULYJBP-HOTGVXAUSA-N 1 2 367.515 2.154 10 70 FEIELO CCC1CCC(NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000160845435 546077638 /nfs/dbraw/zinc/07/76/38/546077638.db2.gz XSRFHOCIPVWHIC-UHFFFAOYSA-N 1 2 374.485 2.250 10 70 FEIELO COC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000160116922 546008934 /nfs/dbraw/zinc/00/89/34/546008934.db2.gz DKULDYUGROCJJI-DOMZBBRYSA-N 1 2 369.412 2.162 10 70 FEIELO CC(C)OC(=O)CCCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000160205985 326957381 /nfs/dbraw/zinc/95/73/81/326957381.db2.gz IRODJRQHCGVGRE-UHFFFAOYSA-N 1 2 350.463 2.343 10 70 FEIELO CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)CC2 ZINC000161408438 326998781 /nfs/dbraw/zinc/99/87/81/326998781.db2.gz PUSUSHVKWROZNC-OAHLLOKOSA-N 1 2 371.489 2.303 10 70 FEIELO CN(Cc1nsc(N(C)C)n1)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000159964535 545996434 /nfs/dbraw/zinc/99/64/34/545996434.db2.gz HZLJZMSBIHMERJ-CYBMUJFWSA-N 1 2 367.544 2.171 10 70 FEIELO CN(CC[NH+](C)Cc1ccc(F)cc1)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000161179512 546106926 /nfs/dbraw/zinc/10/69/26/546106926.db2.gz UEQHHTKMVJJFOZ-UHFFFAOYSA-N 1 2 350.526 2.215 10 70 FEIELO CN(CC[NH+](C)Cc1ccc(F)cc1)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000161179512 546106930 /nfs/dbraw/zinc/10/69/30/546106930.db2.gz UEQHHTKMVJJFOZ-UHFFFAOYSA-N 1 2 350.526 2.215 10 70 FEIELO C[C@](O)(CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)c1ccccc1Cl ZINC000160183568 546014627 /nfs/dbraw/zinc/01/46/27/546014627.db2.gz SFJHSQQWKHOTTD-ACJLOTCBSA-N 1 2 362.861 2.411 10 70 FEIELO C[C@](O)(CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccccc1Cl ZINC000160183568 546014629 /nfs/dbraw/zinc/01/46/29/546014629.db2.gz SFJHSQQWKHOTTD-ACJLOTCBSA-N 1 2 362.861 2.411 10 70 FEIELO C[C@H](CNC(=O)NOCc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000161071719 546098608 /nfs/dbraw/zinc/09/86/08/546098608.db2.gz VAEZHGPKVSVCIR-GFCCVEGCSA-N 1 2 361.364 2.157 10 70 FEIELO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)[NH+]1CCOCC1 ZINC000159899475 326946154 /nfs/dbraw/zinc/94/61/54/326946154.db2.gz WJYNDOHHQZEXBO-HIFRSBDPSA-N 1 2 359.392 2.180 10 70 FEIELO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000159527314 326934469 /nfs/dbraw/zinc/93/44/69/326934469.db2.gz YPRJAICWHVLEMR-JKSUJKDBSA-N 1 2 368.485 2.228 10 70 FEIELO Brc1ccc2[nH]c(CN3CC[C@H]([NH+]4CCOCC4)C3)nc2c1 ZINC000159824966 545984100 /nfs/dbraw/zinc/98/41/00/545984100.db2.gz LZQDJHUEAOTWCD-ZDUSSCGKSA-N 1 2 365.275 2.232 10 70 FEIELO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000159408813 545951284 /nfs/dbraw/zinc/95/12/84/545951284.db2.gz XMPZNXCQNSPQDY-ZDUSSCGKSA-N 1 2 372.517 2.215 10 70 FEIELO C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1nnc2n1CCCC2 ZINC000159545781 545962321 /nfs/dbraw/zinc/96/23/21/545962321.db2.gz GJIUQSWSECWRDD-CQSZACIVSA-N 1 2 369.473 2.170 10 70 FEIELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000159599982 545966014 /nfs/dbraw/zinc/96/60/14/545966014.db2.gz FKUMIRWVZOQQNH-APWZRJJASA-N 1 2 355.442 2.104 10 70 FEIELO Clc1ccc(C2=NO[C@@H](C[NH+]3CCN(c4ncccn4)CC3)C2)cc1 ZINC000159703844 545974233 /nfs/dbraw/zinc/97/42/33/545974233.db2.gz JJQMCLPEVPVVHY-MRXNPFEDSA-N 1 2 357.845 2.445 10 70 FEIELO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000160603300 546055530 /nfs/dbraw/zinc/05/55/30/546055530.db2.gz KFYLVIHVLDUGGS-UKRRQHHQSA-N 1 2 359.392 2.180 10 70 FEIELO Cc1c(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cnn1-c1cc(C)ccc1C ZINC000160782868 546072620 /nfs/dbraw/zinc/07/26/20/546072620.db2.gz XDARTXLCOGHGLA-MRXNPFEDSA-N 1 2 357.458 2.250 10 70 FEIELO Cc1c(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnn1-c1cc(C)ccc1C ZINC000160782868 546072627 /nfs/dbraw/zinc/07/26/27/546072627.db2.gz XDARTXLCOGHGLA-MRXNPFEDSA-N 1 2 357.458 2.250 10 70 FEIELO C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)[NH+]1CCOCC1 ZINC000159899341 326946305 /nfs/dbraw/zinc/94/63/05/326946305.db2.gz WJYNDOHHQZEXBO-ZFWWWQNUSA-N 1 2 359.392 2.180 10 70 FEIELO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000160206768 326957304 /nfs/dbraw/zinc/95/73/04/326957304.db2.gz IPWFEFSJPIWACX-ZDUSSCGKSA-N 1 2 367.877 2.385 10 70 FEIELO C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1nnc2n1CCCC2 ZINC000159545660 545962880 /nfs/dbraw/zinc/96/28/80/545962880.db2.gz GJIUQSWSECWRDD-AWEZNQCLSA-N 1 2 369.473 2.170 10 70 FEIELO C[C@@](O)(CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)c1ccccc1Cl ZINC000160183435 546014727 /nfs/dbraw/zinc/01/47/27/546014727.db2.gz SFJHSQQWKHOTTD-FZKQIMNGSA-N 1 2 362.861 2.411 10 70 FEIELO C[C@@](O)(CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccccc1Cl ZINC000160183435 546014729 /nfs/dbraw/zinc/01/47/29/546014729.db2.gz SFJHSQQWKHOTTD-FZKQIMNGSA-N 1 2 362.861 2.411 10 70 FEIELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CCO[C@H](C4CC4)C3)CC2)s1 ZINC000160478209 546043863 /nfs/dbraw/zinc/04/38/63/546043863.db2.gz XLBFFCVTRHBQLK-RDJZCZTQSA-N 1 2 364.515 2.236 10 70 FEIELO CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)CC2 ZINC000161408566 326998770 /nfs/dbraw/zinc/99/87/70/326998770.db2.gz PUSUSHVKWROZNC-HNNXBMFYSA-N 1 2 371.489 2.303 10 70 FEIELO COC(=O)[C@H](c1cccnc1)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000159951515 545994815 /nfs/dbraw/zinc/99/48/15/545994815.db2.gz HLMXDUCJWIBCDZ-SFHVURJKSA-N 1 2 371.485 2.065 10 70 FEIELO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@H]1C ZINC000160883823 546081293 /nfs/dbraw/zinc/08/12/93/546081293.db2.gz ONSGNQBFNPHXMN-GFCCVEGCSA-N 1 2 371.275 2.338 10 70 FEIELO CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@H]1C ZINC000160883823 546081297 /nfs/dbraw/zinc/08/12/97/546081297.db2.gz ONSGNQBFNPHXMN-GFCCVEGCSA-N 1 2 371.275 2.338 10 70 FEIELO C[C@@H](CNC(=O)NOCc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000161071597 326987292 /nfs/dbraw/zinc/98/72/92/326987292.db2.gz VAEZHGPKVSVCIR-LBPRGKRZSA-N 1 2 361.364 2.157 10 70 FEIELO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCOCC1 ZINC000161207256 546109122 /nfs/dbraw/zinc/10/91/22/546109122.db2.gz NWBRJTRSYCEUCN-HOTGVXAUSA-N 1 2 372.387 2.108 10 70 FEIELO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCOCC1 ZINC000161207256 546109127 /nfs/dbraw/zinc/10/91/27/546109127.db2.gz NWBRJTRSYCEUCN-HOTGVXAUSA-N 1 2 372.387 2.108 10 70 FEIELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)CC2)s1 ZINC000160478342 326967396 /nfs/dbraw/zinc/96/73/96/326967396.db2.gz XLBFFCVTRHBQLK-NVXWUHKLSA-N 1 2 364.515 2.236 10 70 FEIELO Cn1cc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(C(F)(F)F)n1 ZINC000160868400 326979912 /nfs/dbraw/zinc/97/99/12/326979912.db2.gz MAFZMGKFNAVNEU-GFCCVEGCSA-N 1 2 356.352 2.010 10 70 FEIELO C[C@H](CNC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)[NH+]1CCOCC1 ZINC000159663808 545971209 /nfs/dbraw/zinc/97/12/09/545971209.db2.gz MJUZLXNGEUGHJY-RHSMWYFYSA-N 1 2 367.877 2.223 10 70 FEIELO COc1c(CN2CC[NH+](Cc3cc(OC)ccc3OC)CC2)c(C)nn1C ZINC000161044766 546095157 /nfs/dbraw/zinc/09/51/57/546095157.db2.gz DEJPCVBYMYCQDL-UHFFFAOYSA-N 1 2 374.485 2.072 10 70 FEIELO COC(=O)[C@@H]1CCCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000160117053 546008584 /nfs/dbraw/zinc/00/85/84/546008584.db2.gz DKULDYUGROCJJI-IUODEOHRSA-N 1 2 369.412 2.162 10 70 FEIELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161181560 546107431 /nfs/dbraw/zinc/10/74/31/546107431.db2.gz KJEICUJBCZOYAC-ZWKOTPCHSA-N 1 2 352.482 2.465 10 70 FEIELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161181560 546107435 /nfs/dbraw/zinc/10/74/35/546107435.db2.gz KJEICUJBCZOYAC-ZWKOTPCHSA-N 1 2 352.482 2.465 10 70 FEIELO C[C@H](CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)[NH+]1CCOCC1 ZINC000159899653 326946316 /nfs/dbraw/zinc/94/63/16/326946316.db2.gz WJYNDOHHQZEXBO-UKRRQHHQSA-N 1 2 359.392 2.180 10 70 FEIELO CCC(CC)CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000160561225 326969567 /nfs/dbraw/zinc/96/95/67/326969567.db2.gz QGIXXBPAXCUHIL-GOSISDBHSA-N 1 2 363.502 2.190 10 70 FEIELO COc1nc(C)nc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)c1C ZINC000159423648 545951730 /nfs/dbraw/zinc/95/17/30/545951730.db2.gz HLLHBWGEDCBWRF-QZTJIDSGSA-N 1 2 354.454 2.192 10 70 FEIELO COc1nc(C)nc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1C ZINC000159423648 545951734 /nfs/dbraw/zinc/95/17/34/545951734.db2.gz HLLHBWGEDCBWRF-QZTJIDSGSA-N 1 2 354.454 2.192 10 70 FEIELO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@@H]1C ZINC000160883679 546081355 /nfs/dbraw/zinc/08/13/55/546081355.db2.gz ONSGNQBFNPHXMN-LBPRGKRZSA-N 1 2 371.275 2.338 10 70 FEIELO CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@@H]1C ZINC000160883679 546081360 /nfs/dbraw/zinc/08/13/60/546081360.db2.gz ONSGNQBFNPHXMN-LBPRGKRZSA-N 1 2 371.275 2.338 10 70 FEIELO CC[C@@H]1CN(C(=O)c2ccc(Br)c(O)c2)CC[N@@H+]1CCOC ZINC000160925649 546085762 /nfs/dbraw/zinc/08/57/62/546085762.db2.gz NACOJDZUHUQJOG-CYBMUJFWSA-N 1 2 371.275 2.338 10 70 FEIELO CC[C@@H]1CN(C(=O)c2ccc(Br)c(O)c2)CC[N@H+]1CCOC ZINC000160925649 546085765 /nfs/dbraw/zinc/08/57/65/546085765.db2.gz NACOJDZUHUQJOG-CYBMUJFWSA-N 1 2 371.275 2.338 10 70 FEIELO Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CCc4nc(C(C)C)nn4C3)cn21 ZINC000159544200 545961878 /nfs/dbraw/zinc/96/18/78/545961878.db2.gz OWACDSCYBCHRQY-AWEZNQCLSA-N 1 2 367.457 2.172 10 70 FEIELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2noc(-c3ccsc3)n2)CC1 ZINC000160837515 546076125 /nfs/dbraw/zinc/07/61/25/546076125.db2.gz BUTCJMBUDSXRDK-UHFFFAOYSA-N 1 2 372.498 2.466 10 70 FEIELO CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161146019 546104307 /nfs/dbraw/zinc/10/43/07/546104307.db2.gz QMWIBFLGWGGSHO-UONOGXRCSA-N 1 2 373.375 2.049 10 70 FEIELO CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161146019 546104309 /nfs/dbraw/zinc/10/43/09/546104309.db2.gz QMWIBFLGWGGSHO-UONOGXRCSA-N 1 2 373.375 2.049 10 70 FEIELO CN(Cc1nsc(N(C)C)n1)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000159964427 326948894 /nfs/dbraw/zinc/94/88/94/326948894.db2.gz HZLJZMSBIHMERJ-ZDUSSCGKSA-N 1 2 367.544 2.171 10 70 FEIELO