smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000160523638 208830150 /nfs/dbraw/zinc/83/01/50/208830150.db2.gz PCAKSGDBEXPUTJ-CQSZACIVSA-N 1 0 363.462 0.722 20 70 FCIDRO CC(C)[NH+](CCSCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000160929287 208833544 /nfs/dbraw/zinc/83/35/44/208833544.db2.gz WMGJVYCFFUHYLI-UHFFFAOYSA-N 1 0 356.492 0.701 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1c(F)cccc1F ZINC000161304564 229196828 /nfs/dbraw/zinc/19/68/28/229196828.db2.gz SAPUPBQAQYMERR-UHFFFAOYSA-N 1 0 352.403 0.526 20 70 FCIDRO CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@@H]([NH2+]C)C3)cc(C3CC3)nc21 ZINC000160524764 229197543 /nfs/dbraw/zinc/19/75/43/229197543.db2.gz SBFNJKSFDKTUTO-LLVKDONJSA-N 1 0 357.414 0.416 20 70 FCIDRO Cc1c(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cnn1-c1ccccc1F ZINC000160139006 229198174 /nfs/dbraw/zinc/19/81/74/229198174.db2.gz OGUQYIVYZQGLSY-LBPRGKRZSA-N 1 0 363.393 0.297 20 70 FCIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000159436473 488785052 /nfs/dbraw/zinc/78/50/52/488785052.db2.gz IMLRUOGXEOTSCN-GFCCVEGCSA-N 1 0 364.421 0.957 20 70 FCIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000159436628 488785232 /nfs/dbraw/zinc/78/52/32/488785232.db2.gz IMLRUOGXEOTSCN-LBPRGKRZSA-N 1 0 364.421 0.957 20 70 FCIDRO Cn1cc(N2CCC[C@@H](N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)C2=O)cn1 ZINC000159412241 488785416 /nfs/dbraw/zinc/78/54/16/488785416.db2.gz IWFXPZAJKJZURU-IAGOWNOFSA-N 1 0 374.489 0.330 20 70 FCIDRO CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)CC(C)(CO)CO ZINC000159568783 488786172 /nfs/dbraw/zinc/78/61/72/488786172.db2.gz XTQHNTKYXPHIFM-UHFFFAOYSA-N 1 0 367.837 0.782 20 70 FCIDRO Cc1cccc(CN2CCN(C(=O)CN(C)CC(C)(CO)CO)CC2)c1 ZINC000159596706 488786190 /nfs/dbraw/zinc/78/61/90/488786190.db2.gz YXBMWIWHNGGIAM-UHFFFAOYSA-N 1 0 363.502 0.562 20 70 FCIDRO O=C([C@H]1CCC[NH2+]C1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159796885 488787391 /nfs/dbraw/zinc/78/73/91/488787391.db2.gz WCNRMIFKCQANJU-WMZOPIPTSA-N 1 0 356.470 0.936 20 70 FCIDRO NC(=O)[C@H]1CC[C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)O1 ZINC000160245849 488790110 /nfs/dbraw/zinc/79/01/10/488790110.db2.gz WIAJUJCSQCWJMR-KCQAQPDRSA-N 1 0 350.419 0.749 20 70 FCIDRO C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160296910 488790270 /nfs/dbraw/zinc/79/02/70/488790270.db2.gz YTXIGWGPHPTYJB-NXEZZACHSA-N 1 0 365.377 0.932 20 70 FCIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000160394793 488791055 /nfs/dbraw/zinc/79/10/55/488791055.db2.gz HTVJVXQWEGVPNM-GFCCVEGCSA-N 1 0 367.881 0.982 20 70 FCIDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000160431394 488791740 /nfs/dbraw/zinc/79/17/40/488791740.db2.gz TYMIEDGXUIEDCP-CQSZACIVSA-N 1 0 357.462 0.866 20 70 FCIDRO C[C@@H](C(=O)NCC1CC[NH+](CCO)CC1)n1nnc(-c2ccccc2)n1 ZINC000160559304 488792250 /nfs/dbraw/zinc/79/22/50/488792250.db2.gz JLJISBURLRHQNZ-AWEZNQCLSA-N 1 0 358.446 0.722 20 70 FCIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160523182 488792285 /nfs/dbraw/zinc/79/22/85/488792285.db2.gz DBPITMKUXSOJDR-ZACQAIPSSA-N 1 0 364.490 0.892 20 70 FCIDRO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160621871 488792618 /nfs/dbraw/zinc/79/26/18/488792618.db2.gz HLJXHINPEWEQJY-CQSZACIVSA-N 1 0 374.441 0.043 20 70 FCIDRO O=C(CCc1nc(-c2ccccn2)no1)NCC1CC[NH+](CCO)CC1 ZINC000160643352 488792843 /nfs/dbraw/zinc/79/28/43/488792843.db2.gz GKWCLOGRCKKFCF-UHFFFAOYSA-N 1 0 359.430 0.885 20 70 FCIDRO CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160695298 488793257 /nfs/dbraw/zinc/79/32/57/488793257.db2.gz UFCJOWVWBQOSFL-INIZCTEOSA-N 1 0 351.495 0.323 20 70 FCIDRO C[NH+]1CCN(c2cc(CNC(=O)N[C@@H]3CCc4n[nH]cc4C3)ccn2)CC1 ZINC000160819142 488793699 /nfs/dbraw/zinc/79/36/99/488793699.db2.gz GXPIEDUTHOVIEI-MRXNPFEDSA-N 1 0 369.473 0.913 20 70 FCIDRO NC(=O)CNC(=O)c1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000160989737 488794536 /nfs/dbraw/zinc/79/45/36/488794536.db2.gz VZSXWLNPPUSHLD-UHFFFAOYSA-N 1 0 354.401 0.721 20 70 FCIDRO C[C@@H]1Cc2cc(S(=O)(=O)NCC3CC[NH+](CCO)CC3)ccc2O1 ZINC000161396492 534059774 /nfs/dbraw/zinc/05/97/74/534059774.db2.gz KHJYOJOINKIHTL-CYBMUJFWSA-N 1 0 354.472 0.993 20 70 FCIDRO Cc1cccc2c(=O)n(CC(=O)NC[C@@H](O)C[NH+]3CCCCC3)cnc12 ZINC000160574355 534778968 /nfs/dbraw/zinc/77/89/68/534778968.db2.gz LWLWZRZKDRVNAR-OAHLLOKOSA-N 1 0 358.442 0.668 20 70 FCIDRO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161387295 546577031 /nfs/dbraw/zinc/57/70/31/546577031.db2.gz ASCNPWJUFHCNET-GDBMZVCRSA-N 1 0 366.487 0.238 20 70 FCIDRO Cn1c(=O)c2cc(C(=O)NCC[NH2+]C3CCCCCC3)cnc2n(C)c1=O ZINC000159634081 208822833 /nfs/dbraw/zinc/82/28/33/208822833.db2.gz MYKVINQCZUXATL-UHFFFAOYSA-N 1 0 373.457 0.674 20 70 FCIDRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161257664 533315159 /nfs/dbraw/zinc/31/51/59/533315159.db2.gz DKJISQRUGRLYDQ-UHFFFAOYSA-N 1 0 359.430 0.814 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(F)cc1F ZINC000161306964 229197415 /nfs/dbraw/zinc/19/74/15/229197415.db2.gz RXCSLXSXYFCMEJ-UHFFFAOYSA-N 1 0 352.403 0.526 20 70 FCIDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000159483054 488785859 /nfs/dbraw/zinc/78/58/59/488785859.db2.gz IELXVWBAWWMWFH-UHFFFAOYSA-N 1 0 359.430 0.332 20 70 FCIDRO CC[N@@H+]1CCCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000159689422 488786959 /nfs/dbraw/zinc/78/69/59/488786959.db2.gz KHRAIFDHPBWGEO-UHFFFAOYSA-N 1 0 368.503 0.843 20 70 FCIDRO C[N@H+](CC(=O)N1CCCN(CC(=O)N2CCCC2)CC1)[C@@H]1CCSC1 ZINC000159735866 488787165 /nfs/dbraw/zinc/78/71/65/488787165.db2.gz QPUROHYAUHPAJU-MRXNPFEDSA-N 1 0 368.547 0.580 20 70 FCIDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCC(=O)NC2CCCC2)CC1 ZINC000159807940 488788052 /nfs/dbraw/zinc/78/80/52/488788052.db2.gz YMVLSEGWTNZFBD-INIZCTEOSA-N 1 0 364.490 0.590 20 70 FCIDRO CC[N@@H+]1CCCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000159961960 488788544 /nfs/dbraw/zinc/78/85/44/488788544.db2.gz SSEMFGIDWCEAEY-UHFFFAOYSA-N 1 0 358.508 0.680 20 70 FCIDRO Cc1cc(O)cc(=O)n1CC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000160173550 488789846 /nfs/dbraw/zinc/78/98/46/488789846.db2.gz HDONWVQMXSAKFO-UHFFFAOYSA-N 1 0 351.447 0.679 20 70 FCIDRO C[C@H](CNC(=O)N[C@H](C)c1nnnn1-c1ccccc1)CN1CCOCC1 ZINC000160176028 488790006 /nfs/dbraw/zinc/79/00/06/488790006.db2.gz XCVWQAKKHOUZCK-HUUCEWRRSA-N 1 0 373.461 0.991 20 70 FCIDRO Cc1conc1NC(=O)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000160382046 488790920 /nfs/dbraw/zinc/79/09/20/488790920.db2.gz IQJPIJCHRRLBOF-UHFFFAOYSA-N 1 0 371.441 0.985 20 70 FCIDRO C[C@@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)CN1CCOCC1 ZINC000160433623 488791634 /nfs/dbraw/zinc/79/16/34/488791634.db2.gz RYDHYTOHUKSMAV-KRWDZBQOSA-N 1 0 355.527 0.282 20 70 FCIDRO CCCC[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160445280 488791649 /nfs/dbraw/zinc/79/16/49/488791649.db2.gz ZBPXFWTXKDNYJZ-IKGGRYGDSA-N 1 0 362.474 0.965 20 70 FCIDRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CC3CC[NH2+]CC3)cn2)C[C@H](C)O1 ZINC000160710924 488793122 /nfs/dbraw/zinc/79/31/22/488793122.db2.gz RGSNWXNARNIOHU-OKILXGFUSA-N 1 0 363.462 0.847 20 70 FCIDRO NC(=O)N[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000160695979 488793213 /nfs/dbraw/zinc/79/32/13/488793213.db2.gz UNOZYZRQCZKRIT-CHWSQXEVSA-N 1 0 354.476 0.811 20 70 FCIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC(=O)N1CCOCC1 ZINC000160973569 488794539 /nfs/dbraw/zinc/79/45/39/488794539.db2.gz UASQCDUMKDCZQK-MRXNPFEDSA-N 1 0 354.495 0.997 20 70 FCIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1cnn(-c2ccccc2)c1 ZINC000161387108 534866517 /nfs/dbraw/zinc/86/65/17/534866517.db2.gz FRAMHISLCGMKQZ-UHFFFAOYSA-N 1 0 364.471 0.855 20 70 FCIDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000161360415 527930820 /nfs/dbraw/zinc/93/08/20/527930820.db2.gz PMVVCBHLYOTLFM-FRRDWIJNSA-N 1 0 365.396 0.749 20 70 FCIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159796615 208823368 /nfs/dbraw/zinc/82/33/68/208823368.db2.gz WCNRMIFKCQANJU-AEFFLSMTSA-N 1 0 356.470 0.936 20 70 FCIDRO O=C([C@H]1CCC[NH2+]C1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159797012 208823394 /nfs/dbraw/zinc/82/33/94/208823394.db2.gz WCNRMIFKCQANJU-FUHWJXTLSA-N 1 0 356.470 0.936 20 70 FCIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000161174435 208835366 /nfs/dbraw/zinc/83/53/66/208835366.db2.gz TXHLQJCWFZZIAF-UHFFFAOYSA-N 1 0 360.458 0.640 20 70 FCIDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000159517192 488785805 /nfs/dbraw/zinc/78/58/05/488785805.db2.gz ZJWCVOJYROAEEN-GFCCVEGCSA-N 1 0 359.430 0.012 20 70 FCIDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC1CCOCC1 ZINC000159794605 488787318 /nfs/dbraw/zinc/78/73/18/488787318.db2.gz QXYXVUDNGOIOJD-INIZCTEOSA-N 1 0 354.495 0.997 20 70 FCIDRO CCCNC(=O)CN1CCC(NC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000160010098 488788977 /nfs/dbraw/zinc/78/89/77/488788977.db2.gz MZBKAIIPLBPNEU-HNNXBMFYSA-N 1 0 356.536 0.531 20 70 FCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000160033167 488789021 /nfs/dbraw/zinc/78/90/21/488789021.db2.gz ZKUIRIWZIWVBHV-QGZVFWFLSA-N 1 0 370.453 0.868 20 70 FCIDRO NC(=O)[C@H]1CC[C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)O1 ZINC000160245720 488790488 /nfs/dbraw/zinc/79/04/88/488790488.db2.gz WIAJUJCSQCWJMR-GZBFAFLISA-N 1 0 350.419 0.749 20 70 FCIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000160734614 488793305 /nfs/dbraw/zinc/79/33/05/488793305.db2.gz KDCQWGBFYWSCSY-GOEBONIOSA-N 1 0 351.472 0.968 20 70 FCIDRO C[NH+]1CCN(c2cc(CNC(=O)CS(=O)(=O)C(C)(C)C)ccn2)CC1 ZINC000160756012 488793561 /nfs/dbraw/zinc/79/35/61/488793561.db2.gz JMBMTZOTMYTJAL-UHFFFAOYSA-N 1 0 368.503 0.663 20 70 FCIDRO CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160838764 488793828 /nfs/dbraw/zinc/79/38/28/488793828.db2.gz YEPKRKUAWUGUIE-AWEZNQCLSA-N 1 0 358.508 0.680 20 70 FCIDRO CCC(CC)(C[NH3+])C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000161282807 488795793 /nfs/dbraw/zinc/79/57/93/488795793.db2.gz CBZJGHVHPRUHAR-OAHLLOKOSA-N 1 0 354.495 0.143 20 70 FCIDRO Cc1c(C(=O)NCC[NH+]2CCCCCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000161285417 488795854 /nfs/dbraw/zinc/79/58/54/488795854.db2.gz KGDLVFCWQZDMRI-UHFFFAOYSA-N 1 0 373.457 0.546 20 70 FCIDRO CCC(=O)N1CC[C@H](C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000161458788 488796991 /nfs/dbraw/zinc/79/69/91/488796991.db2.gz WPWVLKZUOVDZIU-INIZCTEOSA-N 1 0 364.490 0.402 20 70 FCIDRO O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000161354557 534725877 /nfs/dbraw/zinc/72/58/77/534725877.db2.gz ODFNFADNPJSKJQ-MRXNPFEDSA-N 1 0 365.861 0.932 20 70 FCIDRO CC[N@@H+]1CCCN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000159734767 529026779 /nfs/dbraw/zinc/02/67/79/529026779.db2.gz HBVXRGOVXIEDJI-QGZVFWFLSA-N 1 0 356.536 0.932 20 70 FCIDRO Cn1cc(N2CCC[C@H](N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)C2=O)cn1 ZINC000159412120 488785143 /nfs/dbraw/zinc/78/51/43/488785143.db2.gz IWFXPZAJKJZURU-SJORKVTESA-N 1 0 374.489 0.330 20 70 FCIDRO C[C@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000159875134 488788099 /nfs/dbraw/zinc/78/80/99/488788099.db2.gz KTNCBTKWCWVHMP-NSHDSACASA-N 1 0 370.247 0.846 20 70 FCIDRO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159927906 488788505 /nfs/dbraw/zinc/78/85/05/488788505.db2.gz FFHGRXHWNGSLAC-GDBMZVCRSA-N 1 0 351.447 0.997 20 70 FCIDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000160040094 488788701 /nfs/dbraw/zinc/78/87/01/488788701.db2.gz LTDOFWSFYQLMID-GOSISDBHSA-N 1 0 368.437 0.864 20 70 FCIDRO Cc1conc1NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000160035502 488788732 /nfs/dbraw/zinc/78/87/32/488788732.db2.gz ARBGALPBACGMNA-UHFFFAOYSA-N 1 0 371.441 0.856 20 70 FCIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1CC ZINC000160313968 488790651 /nfs/dbraw/zinc/79/06/51/488790651.db2.gz DRPMJNYQNLLVMC-UHFFFAOYSA-N 1 0 365.478 0.493 20 70 FCIDRO Cc1ccnc2nc(C(=O)NC[C@@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)nn21 ZINC000160544995 488792300 /nfs/dbraw/zinc/79/23/00/488792300.db2.gz NUIKLIHFKJLMKX-HOTGVXAUSA-N 1 0 366.425 0.798 20 70 FCIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160641447 488792819 /nfs/dbraw/zinc/79/28/19/488792819.db2.gz FDWMLKPXQMNZPV-IBGZPJMESA-N 1 0 361.486 0.708 20 70 FCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1-n1cnnn1 ZINC000160666820 488793054 /nfs/dbraw/zinc/79/30/54/488793054.db2.gz UCVIRXWMAFKCJV-CYBMUJFWSA-N 1 0 364.837 0.892 20 70 FCIDRO COCCNC(=O)Cn1cc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000160714159 488793268 /nfs/dbraw/zinc/79/32/68/488793268.db2.gz DJCLPRSMYJAVBN-UONOGXRCSA-N 1 0 351.451 0.610 20 70 FCIDRO O=C(CCCNC(=O)c1cccnc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000161105504 488794709 /nfs/dbraw/zinc/79/47/09/488794709.db2.gz KAXOQQKXOVXNFF-UHFFFAOYSA-N 1 0 373.501 0.832 20 70 FCIDRO CC[NH+]1CCC(N(C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000161331085 488796167 /nfs/dbraw/zinc/79/61/67/488796167.db2.gz GLSLJKJEOBMSCX-UHFFFAOYSA-N 1 0 368.503 0.997 20 70 FCIDRO CCC(=O)N1CC[C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000161386536 528337580 /nfs/dbraw/zinc/33/75/80/528337580.db2.gz OQFJAQXZMRRHLT-HUUCEWRRSA-N 1 0 352.479 0.304 20 70 FCIDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(S(=O)(=O)F)nn2)C1 ZINC001164732521 720526033 /nfs/dbraw/zinc/52/60/33/720526033.db2.gz DISCXYISAGNVIZ-LLVKDONJSA-N 1 0 354.411 0.529 20 70 FCIDRO Cn1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C(N)=O ZINC000160168494 208828160 /nfs/dbraw/zinc/82/81/60/208828160.db2.gz AOECXIKLPMCMAP-CYBMUJFWSA-N 1 0 354.476 0.763 20 70 FCIDRO CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160316847 208828201 /nfs/dbraw/zinc/82/82/01/208828201.db2.gz KWTBOENPMGPIOD-CYBMUJFWSA-N 1 0 366.487 0.710 20 70 FCIDRO COCCNC(=O)Cn1cc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000160714288 208831208 /nfs/dbraw/zinc/83/12/08/208831208.db2.gz DJCLPRSMYJAVBN-ZIAGYGMSSA-N 1 0 351.451 0.610 20 70 FCIDRO CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160851253 208833847 /nfs/dbraw/zinc/83/38/47/208833847.db2.gz FOHMUAOABWWKOZ-MRXNPFEDSA-N 1 0 365.522 0.855 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000161301704 229196161 /nfs/dbraw/zinc/19/61/61/229196161.db2.gz KYCSAQMCWOSLMX-UHFFFAOYSA-N 1 0 370.393 0.665 20 70 FCIDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000160718206 229197281 /nfs/dbraw/zinc/19/72/81/229197281.db2.gz ZUWYSTVAQRPXGC-HZPDHXFCSA-N 1 0 363.462 0.978 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cccc(F)c1F ZINC000161302284 229198045 /nfs/dbraw/zinc/19/80/45/229198045.db2.gz CYEQAVSKXCABOG-UHFFFAOYSA-N 1 0 352.403 0.526 20 70 FCIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)NCCOc2ccccc2)CC1 ZINC000159369699 488784517 /nfs/dbraw/zinc/78/45/17/488784517.db2.gz YITYVCJRYBVQGA-SFHVURJKSA-N 1 0 374.485 0.596 20 70 FCIDRO Cn1ccnc1N1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000159416233 488785097 /nfs/dbraw/zinc/78/50/97/488785097.db2.gz JTILZLMWGMQBNI-GOSISDBHSA-N 1 0 370.501 0.961 20 70 FCIDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000159497395 488785619 /nfs/dbraw/zinc/78/56/19/488785619.db2.gz JIGWLMLGBGFIOO-CYBMUJFWSA-N 1 0 371.441 0.155 20 70 FCIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000159634097 488786208 /nfs/dbraw/zinc/78/62/08/488786208.db2.gz ZMCXFTXCHQXXDX-UHFFFAOYSA-N 1 0 354.476 0.832 20 70 FCIDRO Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159800320 488787498 /nfs/dbraw/zinc/78/74/98/488787498.db2.gz PUMRCIDEXLLCSP-RTXFEEFZSA-N 1 0 356.448 0.311 20 70 FCIDRO O=C(NCCCO)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159925129 488788373 /nfs/dbraw/zinc/78/83/73/488788373.db2.gz GMPXIWNOZAHENV-INIZCTEOSA-N 1 0 371.441 0.767 20 70 FCIDRO CC(C)[C@H]([NH3+])C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000160013318 488788710 /nfs/dbraw/zinc/78/87/10/488788710.db2.gz YJWNWKUWUSJZIZ-NSHDSACASA-N 1 0 359.414 0.785 20 70 FCIDRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCC[NH3+] ZINC000160134972 488789421 /nfs/dbraw/zinc/78/94/21/488789421.db2.gz CKEYTVYBKZSASX-VIFPVBQESA-N 1 0 353.366 0.837 20 70 FCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000160305075 488790142 /nfs/dbraw/zinc/79/01/42/488790142.db2.gz XGHHCELXHMAESR-MRXNPFEDSA-N 1 0 374.416 0.948 20 70 FCIDRO CC(C)C[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000160712505 488793164 /nfs/dbraw/zinc/79/31/64/488793164.db2.gz YWWAMRFAIBFOHT-GUTXKFCHSA-N 1 0 351.451 0.831 20 70 FCIDRO O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)N1CCC[NH2+]CC1 ZINC000160847086 488794179 /nfs/dbraw/zinc/79/41/79/488794179.db2.gz ONCMNYBEJWAFKQ-UHFFFAOYSA-N 1 0 357.389 0.981 20 70 FCIDRO Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CC2)c1 ZINC000161363938 488796113 /nfs/dbraw/zinc/79/61/13/488796113.db2.gz VJNSMDOYBUYHMD-ZWKOTPCHSA-N 1 0 374.485 0.656 20 70 FCIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[NH+](CC2CC2)CC1 ZINC000161506786 488797292 /nfs/dbraw/zinc/79/72/92/488797292.db2.gz JTGIOHPQQVYPFH-UHFFFAOYSA-N 1 0 366.487 0.609 20 70 FCIDRO CC[NH+](CC)CCN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000161498125 488797479 /nfs/dbraw/zinc/79/74/79/488797479.db2.gz ZRFKGRNZWCRQRB-CYBMUJFWSA-N 1 0 368.503 0.870 20 70 FCIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(C(=O)N2CCCC2)n1 ZINC000160387051 534626187 /nfs/dbraw/zinc/62/61/87/534626187.db2.gz QDLPRVPDPUIBRS-HNNXBMFYSA-N 1 0 360.458 0.894 20 70 FCIDRO O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000161354706 534726253 /nfs/dbraw/zinc/72/62/53/534726253.db2.gz ODFNFADNPJSKJQ-INIZCTEOSA-N 1 0 365.861 0.932 20 70 FCIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000159548176 528740682 /nfs/dbraw/zinc/74/06/82/528740682.db2.gz NKKIBDOPCLNTQQ-INIZCTEOSA-N 1 0 353.511 0.521 20 70 FCIDRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000160012050 208825905 /nfs/dbraw/zinc/82/59/05/208825905.db2.gz WBZHLEBGSWRZFK-NSHDSACASA-N 1 0 371.425 0.801 20 70 FCIDRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160516444 208829237 /nfs/dbraw/zinc/82/92/37/208829237.db2.gz KLHKEPAYDRJBJC-MOPGFXCFSA-N 1 0 359.470 0.923 20 70 FCIDRO COc1ccccc1CNC(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159375082 488784535 /nfs/dbraw/zinc/78/45/35/488784535.db2.gz MBYFGOZCWMPQSE-KRWDZBQOSA-N 1 0 374.485 0.726 20 70 FCIDRO COCCCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000159436306 488785032 /nfs/dbraw/zinc/78/50/32/488785032.db2.gz XFRPGZPHDOTQQS-HNNXBMFYSA-N 1 0 365.478 0.952 20 70 FCIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000159552693 488785826 /nfs/dbraw/zinc/78/58/26/488785826.db2.gz ABJMVXFNFJUQSZ-HNNXBMFYSA-N 1 0 374.551 0.776 20 70 FCIDRO Cc1cccc(N2CC[NH+](CCCNC(=O)C3(NC(N)=O)CC3)CC2)c1 ZINC000160091052 488789490 /nfs/dbraw/zinc/78/94/90/488789490.db2.gz CUISJUCQYMWBTM-UHFFFAOYSA-N 1 0 359.474 0.824 20 70 FCIDRO C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)CN1CCOCC1 ZINC000160381865 488791260 /nfs/dbraw/zinc/79/12/60/488791260.db2.gz XHJQEKDOIUIERK-IAGOWNOFSA-N 1 0 368.522 0.755 20 70 FCIDRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160422122 488791762 /nfs/dbraw/zinc/79/17/62/488791762.db2.gz MHIOCEPUXZCQMR-BNOWGMLFSA-N 1 0 369.491 0.057 20 70 FCIDRO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[NH+](CC(C)C)CC1)CC2 ZINC000160589471 488792013 /nfs/dbraw/zinc/79/20/13/488792013.db2.gz LNQCXFBRNUALQC-CQSZACIVSA-N 1 0 350.467 0.723 20 70 FCIDRO C[C@H](C(=O)NCC1CC[NH+](CCO)CC1)n1nnc(-c2ccccc2)n1 ZINC000160559417 488792266 /nfs/dbraw/zinc/79/22/66/488792266.db2.gz JLJISBURLRHQNZ-CQSZACIVSA-N 1 0 358.446 0.722 20 70 FCIDRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160656994 488792513 /nfs/dbraw/zinc/79/25/13/488792513.db2.gz GVSYJIQNTKMZPC-HZPDHXFCSA-N 1 0 372.535 0.974 20 70 FCIDRO Cc1c(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)cnn1C ZINC000160616545 488792592 /nfs/dbraw/zinc/79/25/92/488792592.db2.gz RCLIUBZEZLRHLY-UHFFFAOYSA-N 1 0 357.462 0.875 20 70 FCIDRO CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160695187 488793006 /nfs/dbraw/zinc/79/30/06/488793006.db2.gz UFCJOWVWBQOSFL-MRXNPFEDSA-N 1 0 351.495 0.323 20 70 FCIDRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CC3CC[NH2+]CC3)cn2)C[C@@H](C)O1 ZINC000160711150 488793307 /nfs/dbraw/zinc/79/33/07/488793307.db2.gz RGSNWXNARNIOHU-ZIAGYGMSSA-N 1 0 363.462 0.847 20 70 FCIDRO Cc1conc1NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000160920772 488794095 /nfs/dbraw/zinc/79/40/95/488794095.db2.gz YNLOIUNTJJITCZ-GASCZTMLSA-N 1 0 363.462 0.939 20 70 FCIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000161065711 488794593 /nfs/dbraw/zinc/79/45/93/488794593.db2.gz LMPQHABOMDQCJZ-ZIAGYGMSSA-N 1 0 350.467 0.865 20 70 FCIDRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000161116700 488795106 /nfs/dbraw/zinc/79/51/06/488795106.db2.gz SWKWRHFGDQOXHG-ROUUACIJSA-N 1 0 374.485 0.738 20 70 FCIDRO C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)c2)CC1 ZINC000161506953 488797496 /nfs/dbraw/zinc/79/74/96/488797496.db2.gz AAMWGHFPTHONKM-DLBZAZTESA-N 1 0 360.458 0.197 20 70 FCIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000160906599 527966430 /nfs/dbraw/zinc/96/64/30/527966430.db2.gz ZWVZRWSYGZEEAL-MJGOQNOKSA-N 1 0 370.538 0.879 20 70 FCIDRO CCC(=O)N1CC[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000161386400 528362805 /nfs/dbraw/zinc/36/28/05/528362805.db2.gz OQFJAQXZMRRHLT-LSDHHAIUSA-N 1 0 352.479 0.304 20 70 FCIDRO CC(C)N(C)Cc1nn(-c2ccc(S(=O)(=O)F)nn2)c2c1CC[NH2+]C2 ZINC001164680587 719641092 /nfs/dbraw/zinc/64/10/92/719641092.db2.gz XAKORROJHLUVDW-UHFFFAOYSA-N 1 0 368.438 0.806 20 70 FCIDRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000160827520 208833087 /nfs/dbraw/zinc/83/30/87/208833087.db2.gz HUGVFJJYEXGBQU-CABCVRRESA-N 1 0 362.478 0.867 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cc(F)ccc1F ZINC000161305030 229197957 /nfs/dbraw/zinc/19/79/57/229197957.db2.gz QYLQWCMQOYIBOZ-UHFFFAOYSA-N 1 0 352.403 0.526 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000161305162 229198164 /nfs/dbraw/zinc/19/81/64/229198164.db2.gz IQIPPRWUSWQIBS-UHFFFAOYSA-N 1 0 350.868 0.901 20 70 FCIDRO C[N@@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C[C@H]1CCC[C@@H]1O ZINC000159642038 488786164 /nfs/dbraw/zinc/78/61/64/488786164.db2.gz SLWLWZKFIQXRJA-SJORKVTESA-N 1 0 351.491 0.940 20 70 FCIDRO Cn1cc(S(=O)(=O)NCC(=O)NCC[NH2+]C2CCCCCC2)cn1 ZINC000159652072 488786516 /nfs/dbraw/zinc/78/65/16/488786516.db2.gz PDWZHMFFPPJMKA-UHFFFAOYSA-N 1 0 357.480 0.127 20 70 FCIDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000159806314 488787601 /nfs/dbraw/zinc/78/76/01/488787601.db2.gz HGGBXUWNNCZZCU-KRWDZBQOSA-N 1 0 368.441 0.646 20 70 FCIDRO CCn1c(=O)[nH]c2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)ccc2c1=O ZINC000160047138 488788899 /nfs/dbraw/zinc/78/88/99/488788899.db2.gz XYKPGDXVGXOMJV-CQSZACIVSA-N 1 0 374.441 0.286 20 70 FCIDRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160296775 488790150 /nfs/dbraw/zinc/79/01/50/488790150.db2.gz YTXIGWGPHPTYJB-VHSXEESVSA-N 1 0 365.377 0.932 20 70 FCIDRO CCC[C@H]1CN(C(=O)N[C@@H](C)CN2CCOCC2)CC[N@@H+]1CCOC ZINC000160325334 488790410 /nfs/dbraw/zinc/79/04/10/488790410.db2.gz RBHPQTREKGGGAW-IRXDYDNUSA-N 1 0 356.511 0.849 20 70 FCIDRO C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)CN1CCOCC1 ZINC000160381592 488790807 /nfs/dbraw/zinc/79/08/07/488790807.db2.gz XHJQEKDOIUIERK-SJORKVTESA-N 1 0 368.522 0.755 20 70 FCIDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2(NC(N)=O)CC2)CC1 ZINC000160358123 488791174 /nfs/dbraw/zinc/79/11/74/488791174.db2.gz ZPUBYPIASFQBKC-UHFFFAOYSA-N 1 0 359.474 0.641 20 70 FCIDRO CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@H]([NH2+]C)C3)cc(C(C)C)nc21 ZINC000160751067 488793522 /nfs/dbraw/zinc/79/35/22/488793522.db2.gz HRNLVUSEIHLTRC-NSHDSACASA-N 1 0 359.430 0.662 20 70 FCIDRO NC(=O)c1cccnc1N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160749416 488793856 /nfs/dbraw/zinc/79/38/56/488793856.db2.gz VIZHHHXTTKIJLJ-HNNXBMFYSA-N 1 0 372.473 0.496 20 70 FCIDRO CC[NH2+]CC1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000161102434 488794817 /nfs/dbraw/zinc/79/48/17/488794817.db2.gz PTMZNVTZKRYQFK-UHFFFAOYSA-N 1 0 354.476 0.598 20 70 FCIDRO C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000161124526 488795196 /nfs/dbraw/zinc/79/51/96/488795196.db2.gz IPYMIVNOEOKQIT-IRXDYDNUSA-N 1 0 360.458 0.197 20 70 FCIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000161424782 488796758 /nfs/dbraw/zinc/79/67/58/488796758.db2.gz JDGSKNHUEPUQTR-MRXNPFEDSA-N 1 0 352.460 0.522 20 70 FCIDRO NC(=O)[C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000161429934 488796938 /nfs/dbraw/zinc/79/69/38/488796938.db2.gz GFJBGSCFYUXTOV-SJORKVTESA-N 1 0 360.458 0.348 20 70 FCIDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)F)nn3)CC[C@@H]2C1 ZINC001164852855 720877815 /nfs/dbraw/zinc/87/78/15/720877815.db2.gz ACJYDLGMMKFUPF-OLZOCXBDSA-N 1 0 374.438 0.308 20 70 FCIDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(S(=O)(=O)F)ccn3)CC[C@H]2C1 ZINC001164853362 720891866 /nfs/dbraw/zinc/89/18/66/720891866.db2.gz CBWRNHCQFFTVTA-DZGCQCFKSA-N 1 0 373.450 0.913 20 70 FCIDRO C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159366195 208819406 /nfs/dbraw/zinc/81/94/06/208819406.db2.gz IQSMNYKYRYFPQS-SJCJKPOMSA-N 1 0 362.455 0.326 20 70 FCIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000161041160 208834476 /nfs/dbraw/zinc/83/44/76/208834476.db2.gz DNNINFCJBPNDFH-GFCCVEGCSA-N 1 0 372.491 0.806 20 70 FCIDRO CN1CCc2ccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)cc2C1=O ZINC000161189409 208835021 /nfs/dbraw/zinc/83/50/21/208835021.db2.gz RDPJIJQECOGEPT-UHFFFAOYSA-N 1 0 358.442 0.855 20 70 FCIDRO C[NH2+]C[C@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000161184735 208835167 /nfs/dbraw/zinc/83/51/67/208835167.db2.gz QWWREYVHEJKYJT-BEFAXECRSA-N 1 0 358.442 0.972 20 70 FCIDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000160718347 229196575 /nfs/dbraw/zinc/19/65/75/229196575.db2.gz ZUWYSTVAQRPXGC-JKSUJKDBSA-N 1 0 363.462 0.978 20 70 FCIDRO CC(C)[C@@H]([NH3+])C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000160013455 488788944 /nfs/dbraw/zinc/78/89/44/488788944.db2.gz YJWNWKUWUSJZIZ-LLVKDONJSA-N 1 0 359.414 0.785 20 70 FCIDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000159517039 488785757 /nfs/dbraw/zinc/78/57/57/488785757.db2.gz ZJWCVOJYROAEEN-LBPRGKRZSA-N 1 0 359.430 0.012 20 70 FCIDRO CC(C)(CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)NS(C)(=O)=O ZINC000159524377 488785897 /nfs/dbraw/zinc/78/58/97/488785897.db2.gz YESZAJPHTMHYRM-AWEZNQCLSA-N 1 0 360.524 0.974 20 70 FCIDRO O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000159664966 488786917 /nfs/dbraw/zinc/78/69/17/488786917.db2.gz DVSRCJFHWYDRNJ-OAHLLOKOSA-N 1 0 351.472 0.707 20 70 FCIDRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159800190 488787382 /nfs/dbraw/zinc/78/73/82/488787382.db2.gz PUMRCIDEXLLCSP-WCFLWFBJSA-N 1 0 356.448 0.311 20 70 FCIDRO C[C@@H](CNC(=O)N[C@@H](C)c1nnnn1-c1ccccc1)CN1CCOCC1 ZINC000160175688 488789786 /nfs/dbraw/zinc/78/97/86/488789786.db2.gz XCVWQAKKHOUZCK-GJZGRUSLSA-N 1 0 373.461 0.991 20 70 FCIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000160570413 488792274 /nfs/dbraw/zinc/79/22/74/488792274.db2.gz QOBDACJWQZLZMD-UHFFFAOYSA-N 1 0 356.426 0.667 20 70 FCIDRO Cn1cnc2cc(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)cnc21 ZINC000160603905 488792800 /nfs/dbraw/zinc/79/28/00/488792800.db2.gz IVKFBSLFRTXKFK-UHFFFAOYSA-N 1 0 370.417 0.095 20 70 FCIDRO C[C@H](NC(=O)N1C[C@H]2OCCN(C)[C@H]2C1)c1nnnn1-c1ccccc1 ZINC000160877874 488794132 /nfs/dbraw/zinc/79/41/32/488794132.db2.gz NHIBBKFLUZKRMS-AEGPPILISA-N 1 0 357.418 0.448 20 70 FCIDRO Cc1ncncc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000161059149 488794576 /nfs/dbraw/zinc/79/45/76/488794576.db2.gz AQJNUQABLNYPFZ-KRWDZBQOSA-N 1 0 355.442 0.804 20 70 FCIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000161377894 488796382 /nfs/dbraw/zinc/79/63/82/488796382.db2.gz CDBWWYIEWATMTG-RISCZKNCSA-N 1 0 359.430 0.091 20 70 FCIDRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000161456099 488796913 /nfs/dbraw/zinc/79/69/13/488796913.db2.gz SIKXCMYPQFJNTN-CYBMUJFWSA-N 1 0 357.414 0.947 20 70 FCIDRO C[C@@H]1C[NH+](C[C@H](O)CN2CCO[C@@](C)(c3cnn(C)c3)C2)C[C@@H](C)O1 ZINC000159445317 547347146 /nfs/dbraw/zinc/34/71/46/547347146.db2.gz NYASUGXFJWBKPJ-JOCBIADPSA-N 1 0 352.479 0.438 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000161303595 229197170 /nfs/dbraw/zinc/19/71/70/229197170.db2.gz LJJALMJETJBSIZ-UHFFFAOYSA-N 1 0 352.403 0.526 20 70 FCIDRO C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159366343 488784531 /nfs/dbraw/zinc/78/45/31/488784531.db2.gz IQSMNYKYRYFPQS-PXAZEXFGSA-N 1 0 362.455 0.326 20 70 FCIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)NCc2cccs2)CC1 ZINC000159380538 488784643 /nfs/dbraw/zinc/78/46/43/488784643.db2.gz GZCIGDFTDZTXSC-OAHLLOKOSA-N 1 0 350.488 0.778 20 70 FCIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000159770654 488787358 /nfs/dbraw/zinc/78/73/58/488787358.db2.gz KQARXSQQOSDAMB-ZDUSSCGKSA-N 1 0 373.457 0.545 20 70 FCIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159796754 488787440 /nfs/dbraw/zinc/78/74/40/488787440.db2.gz WCNRMIFKCQANJU-SJLPKXTDSA-N 1 0 356.470 0.936 20 70 FCIDRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000159901591 488788065 /nfs/dbraw/zinc/78/80/65/488788065.db2.gz TXSZKLKIYREEKZ-GJZGRUSLSA-N 1 0 351.451 0.840 20 70 FCIDRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCC(C)(C)[NH3+])n(C)c2)C1 ZINC000160024821 488788768 /nfs/dbraw/zinc/78/87/68/488788768.db2.gz YNUOKKYDVSVPGD-GFCCVEGCSA-N 1 0 356.492 0.913 20 70 FCIDRO CCCNC(=O)CN1CCC(NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000160009968 488788855 /nfs/dbraw/zinc/78/88/55/488788855.db2.gz MZBKAIIPLBPNEU-OAHLLOKOSA-N 1 0 356.536 0.531 20 70 FCIDRO Cc1ccc(CCC(=O)NCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000160083499 488789557 /nfs/dbraw/zinc/78/95/57/488789557.db2.gz LBJTXIVHSXREBN-UHFFFAOYSA-N 1 0 374.485 0.276 20 70 FCIDRO [NH3+]CCCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000160072213 488789603 /nfs/dbraw/zinc/78/96/03/488789603.db2.gz WFOZCGZQWWKOQQ-UHFFFAOYSA-N 1 0 364.265 0.583 20 70 FCIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000160394944 488790885 /nfs/dbraw/zinc/79/08/85/488790885.db2.gz HTVJVXQWEGVPNM-LBPRGKRZSA-N 1 0 367.881 0.982 20 70 FCIDRO C[C@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000160385535 488790982 /nfs/dbraw/zinc/79/09/82/488790982.db2.gz VFGQKLUEYDGUSR-GOSISDBHSA-N 1 0 374.533 0.792 20 70 FCIDRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160421959 488791621 /nfs/dbraw/zinc/79/16/21/488791621.db2.gz MHIOCEPUXZCQMR-FPMFFAJLSA-N 1 0 369.491 0.057 20 70 FCIDRO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160565040 488791929 /nfs/dbraw/zinc/79/19/29/488791929.db2.gz JXPTYJAWZHIKOI-MSOLQXFVSA-N 1 0 372.473 0.728 20 70 FCIDRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160657094 488792757 /nfs/dbraw/zinc/79/27/57/488792757.db2.gz GVSYJIQNTKMZPC-HOTGVXAUSA-N 1 0 372.535 0.974 20 70 FCIDRO O=C(CCn1cnc2sccc2c1=O)NCC1CC[NH+](CCO)CC1 ZINC000160619305 488792848 /nfs/dbraw/zinc/79/28/48/488792848.db2.gz CJEWQBVAXKTYGQ-UHFFFAOYSA-N 1 0 364.471 0.669 20 70 FCIDRO CNS(=O)(=O)c1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)co1 ZINC000160699721 488793181 /nfs/dbraw/zinc/79/31/81/488793181.db2.gz CEVSIDMRAVRDGQ-UHFFFAOYSA-N 1 0 370.475 0.041 20 70 FCIDRO Cc1cccc2c(=O)n(CCC(=O)NCC3CC[NH+](CCO)CC3)cnc12 ZINC000160694801 488793191 /nfs/dbraw/zinc/79/31/91/488793191.db2.gz SNRYOGFPDVQRSX-UHFFFAOYSA-N 1 0 372.469 0.916 20 70 FCIDRO C[C@@H](NC(=O)N1C[C@H]2OCCN(C)[C@H]2C1)c1nnnn1-c1ccccc1 ZINC000160877997 488794184 /nfs/dbraw/zinc/79/41/84/488794184.db2.gz NHIBBKFLUZKRMS-VHDGCEQUSA-N 1 0 357.418 0.448 20 70 FCIDRO COCCC1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000161063639 488794566 /nfs/dbraw/zinc/79/45/66/488794566.db2.gz JDVKHNFFIYJXOK-OAHLLOKOSA-N 1 0 352.479 0.751 20 70 FCIDRO Cn1c2[nH]c(CN3CC[N@H+](C)C[C@@H]3c3ccccc3)nc2c(=O)n(C)c1=O ZINC000161339579 488796265 /nfs/dbraw/zinc/79/62/65/488796265.db2.gz OIIJTKIICGGKCV-CQSZACIVSA-N 1 0 368.441 0.449 20 70 FCIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000159548318 527847506 /nfs/dbraw/zinc/84/75/06/527847506.db2.gz NKKIBDOPCLNTQQ-MRXNPFEDSA-N 1 0 353.511 0.521 20 70 FCIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000160906754 527969957 /nfs/dbraw/zinc/96/99/57/527969957.db2.gz ZWVZRWSYGZEEAL-HKUYNNGSSA-N 1 0 370.538 0.879 20 70 FCIDRO NC(=O)N[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000160696111 208832173 /nfs/dbraw/zinc/83/21/73/208832173.db2.gz UNOZYZRQCZKRIT-OLZOCXBDSA-N 1 0 354.476 0.811 20 70 FCIDRO Cc1ccc(-c2nnn(CC(=O)NC[C@@H](O)C[NH+]3CCCCC3)n2)cc1 ZINC000160001680 229197232 /nfs/dbraw/zinc/19/72/32/229197232.db2.gz VMZAQXDXDNWVKK-MRXNPFEDSA-N 1 0 358.446 0.612 20 70 FCIDRO O=C(NCc1cccc(OCCN2CCOCC2)c1)[C@H]1CCCNC1=O ZINC000216937670 488441733 /nfs/dbraw/zinc/44/17/33/488441733.db2.gz OBVJFBSVQGFALX-KRWDZBQOSA-N 1 0 361.442 0.540 20 70 FCIDRO C[C@@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)C[NH+]1CCN(C)CC1 ZINC000159431586 488785356 /nfs/dbraw/zinc/78/53/56/488785356.db2.gz WBZPMZJNGBUILB-HOTGVXAUSA-N 1 0 364.494 0.925 20 70 FCIDRO CC[C@H](C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)[NH+](C)C ZINC000159966329 488788359 /nfs/dbraw/zinc/78/83/59/488788359.db2.gz AHDPKOBXGQXXFE-UMVBOHGHSA-N 1 0 351.451 0.798 20 70 FCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000159975962 488788609 /nfs/dbraw/zinc/78/86/09/488788609.db2.gz JZNCVHGNKRFWHB-DOTOQJQBSA-N 1 0 360.458 0.393 20 70 FCIDRO CC(C)([NH3+])CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000160114324 488789248 /nfs/dbraw/zinc/78/92/48/488789248.db2.gz RTEWSYPKTKLKSZ-UHFFFAOYSA-N 1 0 364.471 0.701 20 70 FCIDRO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160652855 488792726 /nfs/dbraw/zinc/79/27/26/488792726.db2.gz NSSNFHIJGKGRIP-INIZCTEOSA-N 1 0 351.447 0.855 20 70 FCIDRO Cn1c2ccccc2n(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1=O ZINC000160645925 488792753 /nfs/dbraw/zinc/79/27/53/488792753.db2.gz XAAJBGFRWYPGKF-OAHLLOKOSA-N 1 0 360.458 0.693 20 70 FCIDRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(C[NH3+])o3)cn2)C[C@H](C)O1 ZINC000160710550 488793102 /nfs/dbraw/zinc/79/31/02/488793102.db2.gz IUMLVZLSFLLARQ-TXEJJXNPSA-N 1 0 361.402 0.823 20 70 FCIDRO COCCNC(=O)Cn1cc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)cn1 ZINC000160715375 488793309 /nfs/dbraw/zinc/79/33/09/488793309.db2.gz ZKHZRFSYDYNOMF-ZDUSSCGKSA-N 1 0 351.451 0.610 20 70 FCIDRO C[NH+]1CCN(Cc2ccc(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000161124654 488795063 /nfs/dbraw/zinc/79/50/63/488795063.db2.gz IPYMIVNOEOKQIT-SJORKVTESA-N 1 0 360.458 0.197 20 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ZINC000159911484 488788594 /nfs/dbraw/zinc/78/85/94/488788594.db2.gz LOTKOYCVAHOFGA-CYBMUJFWSA-N 1 0 350.463 0.952 20 70 FCIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000160639683 488792827 /nfs/dbraw/zinc/79/28/27/488792827.db2.gz XYKIVANFJLUQLO-HZPDHXFCSA-N 1 0 350.463 0.504 20 70 FCIDRO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)CC2 ZINC000160814683 488793499 /nfs/dbraw/zinc/79/34/99/488793499.db2.gz XSXGDHPOZYFRHX-ZIAGYGMSSA-N 1 0 350.467 0.721 20 70 FCIDRO C[NH+]1CCN(c2cc(CNC(=O)N[C@H]3CCc4n[nH]cc4C3)ccn2)CC1 ZINC000160819273 488793886 /nfs/dbraw/zinc/79/38/86/488793886.db2.gz GXPIEDUTHOVIEI-INIZCTEOSA-N 1 0 369.473 0.913 20 70 FCIDRO CC[NH2+]CC1CCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000161065888 488794644 /nfs/dbraw/zinc/79/46/44/488794644.db2.gz JXXBEEZFLQQSDI-UHFFFAOYSA-N 1 0 358.442 0.928 20 70 FCIDRO Cc1cnn(-c2ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc2F)c1 ZINC000161473226 488797250 /nfs/dbraw/zinc/79/72/50/488797250.db2.gz 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CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000159906262 488788109 /nfs/dbraw/zinc/78/81/09/488788109.db2.gz BYPUCGWTUYMAPR-LBPRGKRZSA-N 1 0 359.430 0.155 20 70 FCIDRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000160009867 488788964 /nfs/dbraw/zinc/78/89/64/488788964.db2.gz JBLWTLLJMMWQCD-GFCCVEGCSA-N 1 0 371.425 0.943 20 70 FCIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160093643 488789471 /nfs/dbraw/zinc/78/94/71/488789471.db2.gz CKARPVJIONMRNZ-QGZVFWFLSA-N 1 0 360.506 0.545 20 70 FCIDRO C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)CN1CCOCC1 ZINC000160381457 488790928 /nfs/dbraw/zinc/79/09/28/488790928.db2.gz XHJQEKDOIUIERK-IRXDYDNUSA-N 1 0 368.522 0.755 20 70 FCIDRO CNC(=O)CN1CCC(NC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000160448215 488791753 /nfs/dbraw/zinc/79/17/53/488791753.db2.gz AUVSJUOQHQFDQP-UHFFFAOYSA-N 1 0 353.511 0.713 20 70 FCIDRO Cn1cc(N2CCC[C@@H](N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160519164 488792100 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362.455 0.326 20 70 FCIDRO C[C@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)C[NH+]1CCN(C)CC1 ZINC000159431715 488785046 /nfs/dbraw/zinc/78/50/46/488785046.db2.gz WBZPMZJNGBUILB-CVEARBPZSA-N 1 0 364.494 0.925 20 70 FCIDRO [NH3+]CC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000159875268 488787747 /nfs/dbraw/zinc/78/77/47/488787747.db2.gz CPUIGPMKOJJYQR-UHFFFAOYSA-N 1 0 356.220 0.457 20 70 FCIDRO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159927815 488788536 /nfs/dbraw/zinc/78/85/36/488788536.db2.gz FFHGRXHWNGSLAC-ZBFHGGJFSA-N 1 0 351.447 0.997 20 70 FCIDRO CC(C)NC(=O)c1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000160070652 488789576 /nfs/dbraw/zinc/78/95/76/488789576.db2.gz ACKXFHDZBWNEHA-UHFFFAOYSA-N 1 0 360.458 0.671 20 70 FCIDRO CN1C(=O)C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)[C@@H]1c1cccnc1 ZINC000160315611 488790164 /nfs/dbraw/zinc/79/01/64/488790164.db2.gz FDZPKKMFPBVNMO-JZXOWHBKSA-N 1 0 360.458 0.564 20 70 FCIDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccnc(OCC(F)(F)F)c2)CC1 ZINC000160267843 488790599 /nfs/dbraw/zinc/79/05/99/488790599.db2.gz JDUHHGHWLSVKDG-UHFFFAOYSA-N 1 0 374.363 0.869 20 70 FCIDRO CC(C)C[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000160712642 488793196 /nfs/dbraw/zinc/79/31/96/488793196.db2.gz YWWAMRFAIBFOHT-YDHLFZDLSA-N 1 0 351.451 0.831 20 70 FCIDRO CCn1c(=O)[nH]c2cc(C(=O)NCC3CC[NH+](CCO)CC3)ccc2c1=O ZINC000160666943 488793263 /nfs/dbraw/zinc/79/32/63/488793263.db2.gz NTHHCZKWDOXHOJ-UHFFFAOYSA-N 1 0 374.441 0.144 20 70 FCIDRO CNC(=O)COc1cccc(CC(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000161173625 488795295 /nfs/dbraw/zinc/79/52/95/488795295.db2.gz KHNQBWAYUQLSOA-UHFFFAOYSA-N 1 0 362.474 0.108 20 70 FCIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1 ZINC000161238015 488795712 /nfs/dbraw/zinc/79/57/12/488795712.db2.gz XTYUFQRIXWCQBY-CJNGLKHVSA-N 1 0 358.442 0.925 20 70 FCIDRO Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3CC[C@H](C(N)=O)O3)CC2)c1 ZINC000161364093 488796163 /nfs/dbraw/zinc/79/61/63/488796163.db2.gz VJNSMDOYBUYHMD-QZTJIDSGSA-N 1 0 374.485 0.656 20 70 FCIDRO CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)nn1 ZINC000159935507 527567442 /nfs/dbraw/zinc/56/74/42/527567442.db2.gz YWWNUEHKFIEVOQ-CYBMUJFWSA-N 1 0 351.451 0.470 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cc2ccccc2o1 ZINC000161303862 547386721 /nfs/dbraw/zinc/38/67/21/547386721.db2.gz FKWHQLLQKJDIJK-UHFFFAOYSA-N 1 0 356.444 0.994 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(Cl)s1 ZINC000161301530 229196516 /nfs/dbraw/zinc/19/65/16/229196516.db2.gz MUMBPODGEHIWNU-UHFFFAOYSA-N 1 0 356.897 0.963 20 70 FCIDRO O=C(NCc1cccc(OCCN2CCOCC2)c1)[C@@H]1CCCNC1=O ZINC000216937653 488441952 /nfs/dbraw/zinc/44/19/52/488441952.db2.gz OBVJFBSVQGFALX-QGZVFWFLSA-N 1 0 361.442 0.540 20 70 FCIDRO Cc1c(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cnn1C ZINC000159463010 488785400 /nfs/dbraw/zinc/78/54/00/488785400.db2.gz NPAIXXBBYQKKNV-UHFFFAOYSA-N 1 0 357.462 0.875 20 70 FCIDRO CC[C@@H](C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)[NH+](C)C ZINC000159965909 488788407 /nfs/dbraw/zinc/78/84/07/488788407.db2.gz AHDPKOBXGQXXFE-GUTXKFCHSA-N 1 0 351.451 0.798 20 70 FCIDRO Cc1ccnc2nc(C(=O)NC[C@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)nn21 ZINC000160545094 488792106 /nfs/dbraw/zinc/79/21/06/488792106.db2.gz NUIKLIHFKJLMKX-CVEARBPZSA-N 1 0 366.425 0.798 20 70 FCIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000160556842 488792239 /nfs/dbraw/zinc/79/22/39/488792239.db2.gz YOHVYFIXHWFYGY-CYBMUJFWSA-N 1 0 352.435 0.693 20 70 FCIDRO O=C(Cn1cc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)cn1)N1CCOCC1 ZINC000160720331 488793060 /nfs/dbraw/zinc/79/30/60/488793060.db2.gz HQYFNTBGBLEPDU-SFHVURJKSA-N 1 0 369.425 0.567 20 70 FCIDRO CCCc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n2ncnc2n1 ZINC000160798247 488793677 /nfs/dbraw/zinc/79/36/77/488793677.db2.gz QLARDCRKORHTEH-HNNXBMFYSA-N 1 0 357.462 0.995 20 70 FCIDRO NC(=O)c1cccnc1N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160749345 488793803 /nfs/dbraw/zinc/79/38/03/488793803.db2.gz VIZHHHXTTKIJLJ-OAHLLOKOSA-N 1 0 372.473 0.496 20 70 FCIDRO CN(C[C@@H](O)CN1CCOCC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160901036 488793993 /nfs/dbraw/zinc/79/39/93/488793993.db2.gz VFGVNFIXSKXJIJ-CRAIPNDOSA-N 1 0 365.449 0.946 20 70 FCIDRO Cc1conc1NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000160920907 488794003 /nfs/dbraw/zinc/79/40/03/488794003.db2.gz YNLOIUNTJJITCZ-GJZGRUSLSA-N 1 0 363.462 0.939 20 70 FCIDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000161247022 488795641 /nfs/dbraw/zinc/79/56/41/488795641.db2.gz TXDXBIWTPCXYLD-IYBDPMFKSA-N 1 0 360.524 0.054 20 70 FCIDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000161288820 488795832 /nfs/dbraw/zinc/79/58/32/488795832.db2.gz CRIGQYRVZNJVBB-HNNXBMFYSA-N 1 0 372.512 0.925 20 70 FCIDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000161065804 208833843 /nfs/dbraw/zinc/83/38/43/208833843.db2.gz LMPQHABOMDQCJZ-KGLIPLIRSA-N 1 0 350.467 0.865 20 70 FCIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)NCc2cccs2)CC1 ZINC000159380670 488784732 /nfs/dbraw/zinc/78/47/32/488784732.db2.gz GZCIGDFTDZTXSC-HNNXBMFYSA-N 1 0 350.488 0.778 20 70 FCIDRO Cn1ccnc1N1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000159416086 488785107 /nfs/dbraw/zinc/78/51/07/488785107.db2.gz JTILZLMWGMQBNI-SFHVURJKSA-N 1 0 370.501 0.961 20 70 FCIDRO O=C(c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)N1CC[NH2+]CC1 ZINC000159412069 488785364 /nfs/dbraw/zinc/78/53/64/488785364.db2.gz ZWIAHHPRMVJSHR-UHFFFAOYSA-N 1 0 350.378 0.923 20 70 FCIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000159552551 488785768 /nfs/dbraw/zinc/78/57/68/488785768.db2.gz ABJMVXFNFJUQSZ-OAHLLOKOSA-N 1 0 374.551 0.776 20 70 FCIDRO Cc1nc(CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(C)s1 ZINC000159535449 488785940 /nfs/dbraw/zinc/78/59/40/488785940.db2.gz MQXGKURZEUVODK-UHFFFAOYSA-N 1 0 364.475 0.815 20 70 FCIDRO COC(=O)c1ccc(NCCCC[NH+]2CCN(CCO)CC2)nc1C ZINC000159775330 488787593 /nfs/dbraw/zinc/78/75/93/488787593.db2.gz UGQLYUOJEBEOIW-UHFFFAOYSA-N 1 0 350.463 0.979 20 70 FCIDRO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159927702 488788456 /nfs/dbraw/zinc/78/84/56/488788456.db2.gz FFHGRXHWNGSLAC-GOEBONIOSA-N 1 0 351.447 0.997 20 70 FCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000160032663 488788847 /nfs/dbraw/zinc/78/88/47/488788847.db2.gz OVEOMQYZYZEGDO-ZWKOTPCHSA-N 1 0 359.470 0.998 20 70 FCIDRO Cc1c(NC(=O)C(=O)N[C@H](C)CN2CCOCC2)cnn1-c1ccccc1 ZINC000160188208 488789727 /nfs/dbraw/zinc/78/97/27/488789727.db2.gz GUTAPRKNPARBQG-CQSZACIVSA-N 1 0 371.441 0.956 20 70 FCIDRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[NH+](CC(C)C)CC1)CC2 ZINC000160589603 488792208 /nfs/dbraw/zinc/79/22/08/488792208.db2.gz LNQCXFBRNUALQC-AWEZNQCLSA-N 1 0 350.467 0.723 20 70 FCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000160594387 488792281 /nfs/dbraw/zinc/79/22/81/488792281.db2.gz AIGXGWCWNSGHSN-MRXNPFEDSA-N 1 0 356.426 0.809 20 70 FCIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000160640042 488792853 /nfs/dbraw/zinc/79/28/53/488792853.db2.gz XYKIVANFJLUQLO-HOTGVXAUSA-N 1 0 350.463 0.504 20 70 FCIDRO O=C(CNC(=O)Cc1cccc(F)c1)NCC1CC[NH+](CCO)CC1 ZINC000160666658 488793084 /nfs/dbraw/zinc/79/30/84/488793084.db2.gz UJPQDORTVLWSTI-UHFFFAOYSA-N 1 0 351.422 0.305 20 70 FCIDRO C[NH+](C)C1CCN(CCNC(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000160996460 488794484 /nfs/dbraw/zinc/79/44/84/488794484.db2.gz WGARFIKKGPNZKC-UHFFFAOYSA-N 1 0 374.533 0.935 20 70 FCIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC(=O)N1CCOCC1 ZINC000160973703 488794651 /nfs/dbraw/zinc/79/46/51/488794651.db2.gz UASQCDUMKDCZQK-INIZCTEOSA-N 1 0 354.495 0.997 20 70 FCIDRO Cn1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000161124847 488795309 /nfs/dbraw/zinc/79/53/09/488795309.db2.gz ZVGMLGBNDUUKLE-UHFFFAOYSA-N 1 0 364.471 0.855 20 70 FCIDRO C[C@]1(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCC[NH2+]C1 ZINC000161349197 488796132 /nfs/dbraw/zinc/79/61/32/488796132.db2.gz LSRGALWLXPWLNC-IBGZPJMESA-N 1 0 358.442 0.265 20 70 FCIDRO Cc1c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000161430551 488796956 /nfs/dbraw/zinc/79/69/56/488796956.db2.gz LSYLADAGJSYQFU-LBPRGKRZSA-N 1 0 373.457 0.545 20 70 FCIDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000161360538 527930062 /nfs/dbraw/zinc/93/00/62/527930062.db2.gz PMVVCBHLYOTLFM-RWMBFGLXSA-N 1 0 365.396 0.749 20 70 FCIDRO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161387444 547386820 /nfs/dbraw/zinc/38/68/20/547386820.db2.gz ASCNPWJUFHCNET-HOCLYGCPSA-N 1 0 366.487 0.238 20 70 FCIDRO COc1ccccc1CNC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159374945 488784527 /nfs/dbraw/zinc/78/45/27/488784527.db2.gz MBYFGOZCWMPQSE-QGZVFWFLSA-N 1 0 374.485 0.726 20 70 FCIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000159420319 488785336 /nfs/dbraw/zinc/78/53/36/488785336.db2.gz WHNNBUGAGAZBRI-QWHCGFSZSA-N 1 0 362.396 0.564 20 70 FCIDRO C[NH+]1CCC(CNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000159905338 488787988 /nfs/dbraw/zinc/78/79/88/488787988.db2.gz ZITPYSHWOYJNKN-UHFFFAOYSA-N 1 0 374.489 0.363 20 70 FCIDRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000159901836 488788003 /nfs/dbraw/zinc/78/80/03/488788003.db2.gz TXSZKLKIYREEKZ-CABCVRRESA-N 1 0 351.451 0.840 20 70 FCIDRO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160516317 488791919 /nfs/dbraw/zinc/79/19/19/488791919.db2.gz KLHKEPAYDRJBJC-RTBURBONSA-N 1 0 359.470 0.923 20 70 FCIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000160556708 488792085 /nfs/dbraw/zinc/79/20/85/488792085.db2.gz YOHVYFIXHWFYGY-ZDUSSCGKSA-N 1 0 352.435 0.693 20 70 FCIDRO O=C(CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1)NC1CC1 ZINC000160851075 488794253 /nfs/dbraw/zinc/79/42/53/488794253.db2.gz PPJJTPNNOBFCSN-MRXNPFEDSA-N 1 0 363.506 0.609 20 70 FCIDRO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)cnc21 ZINC000161240742 488795774 /nfs/dbraw/zinc/79/57/74/488795774.db2.gz FVXSHJLZKZKALJ-SWLSCSKDSA-N 1 0 373.457 0.953 20 70 FCIDRO CCC(=O)N1CC[C@H](C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)C1 ZINC000161460974 488796853 /nfs/dbraw/zinc/79/68/53/488796853.db2.gz KWRQIYPHNKUONU-INIZCTEOSA-N 1 0 366.506 0.648 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000161306422 229196388 /nfs/dbraw/zinc/19/63/88/229196388.db2.gz UBVUJSJFGVQEON-UHFFFAOYSA-N 1 0 370.393 0.665 20 70 FCIDRO CCn1c2ccccc2n(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1=O ZINC000159923560 229197050 /nfs/dbraw/zinc/19/70/50/229197050.db2.gz OVGGICIFTREAMX-OAHLLOKOSA-N 1 0 360.458 0.786 20 70 FCIDRO C[N@@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000159641907 488786223 /nfs/dbraw/zinc/78/62/23/488786223.db2.gz SLWLWZKFIQXRJA-IRXDYDNUSA-N 1 0 351.491 0.940 20 70 FCIDRO CC[N@@H+]1CCCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000159704672 488786991 /nfs/dbraw/zinc/78/69/91/488786991.db2.gz YSHBDANDXIVSIB-UHFFFAOYSA-N 1 0 361.494 0.336 20 70 FCIDRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000159901705 488787794 /nfs/dbraw/zinc/78/77/94/488787794.db2.gz TXSZKLKIYREEKZ-LSDHHAIUSA-N 1 0 351.451 0.840 20 70 FCIDRO Cc1ccc(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cn1 ZINC000159986645 488788499 /nfs/dbraw/zinc/78/84/99/488788499.db2.gz NBZRTBRCWUXXLA-UHFFFAOYSA-N 1 0 368.441 0.792 20 70 FCIDRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)n1nnc(-c2ccccc2)n1 ZINC000160012582 488789080 /nfs/dbraw/zinc/78/90/80/488789080.db2.gz NRWMOFBWDJVMNN-GDBMZVCRSA-N 1 0 358.446 0.864 20 70 FCIDRO C[NH+](C)CCN1CCC(NC(=O)N2CCCN(CC(F)F)CC2)CC1 ZINC000160194797 488790033 /nfs/dbraw/zinc/79/00/33/488790033.db2.gz JOKAXOGEIQCDMV-UHFFFAOYSA-N 1 0 361.481 0.995 20 70 FCIDRO CCCC[C@H](NC(N)=O)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160445126 488791384 /nfs/dbraw/zinc/79/13/84/488791384.db2.gz ZBPXFWTXKDNYJZ-ULQDDVLXSA-N 1 0 362.474 0.965 20 70 FCIDRO Cc1ccnc2nc(C(=O)NC[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)nn21 ZINC000160545217 488792170 /nfs/dbraw/zinc/79/21/70/488792170.db2.gz NUIKLIHFKJLMKX-JKSUJKDBSA-N 1 0 366.425 0.798 20 70 FCIDRO Cc1cccc2c(=O)n(CC(=O)NCC3CC[NH+](CCO)CC3)cnc12 ZINC000160625934 488792580 /nfs/dbraw/zinc/79/25/80/488792580.db2.gz ZCRKCABXAZOMAW-UHFFFAOYSA-N 1 0 358.442 0.525 20 70 FCIDRO O=C(NCCO)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160639247 488792773 /nfs/dbraw/zinc/79/27/73/488792773.db2.gz FFWYWJRACHFZQP-OAHLLOKOSA-N 1 0 357.414 0.377 20 70 FCIDRO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C)CC2 ZINC000160814544 488793587 /nfs/dbraw/zinc/79/35/87/488793587.db2.gz XSXGDHPOZYFRHX-KGLIPLIRSA-N 1 0 350.467 0.721 20 70 FCIDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1 ZINC000160776272 488793627 /nfs/dbraw/zinc/79/36/27/488793627.db2.gz BAFPUEUXDUTUKL-CQSZACIVSA-N 1 0 365.478 0.716 20 70 FCIDRO C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC000160754664 488793688 /nfs/dbraw/zinc/79/36/88/488793688.db2.gz PZLHHSPZBIHZIR-HNNXBMFYSA-N 1 0 354.458 0.909 20 70 FCIDRO CC(C)[N@H+]1C[C@H](NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)[C@@H](C)C1 ZINC000161238112 488795571 /nfs/dbraw/zinc/79/55/71/488795571.db2.gz XTYUFQRIXWCQBY-BBRMVZONSA-N 1 0 358.442 0.925 20 70 FCIDRO Cc1nc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000161335303 488796100 /nfs/dbraw/zinc/79/61/00/488796100.db2.gz NNSCTHHPBFYYEO-JGVFFNPUSA-N 1 0 358.328 0.712 20 70 FCIDRO Cc1nc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000161335600 488796102 /nfs/dbraw/zinc/79/61/02/488796102.db2.gz NNSCTHHPBFYYEO-HTQZYQBOSA-N 1 0 358.328 0.712 20 70 FCIDRO NC(=O)[C@H]1CC[C@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000161429733 488796646 /nfs/dbraw/zinc/79/66/46/488796646.db2.gz GFJBGSCFYUXTOV-IAGOWNOFSA-N 1 0 360.458 0.348 20 70 FCIDRO CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000161456006 488796985 /nfs/dbraw/zinc/79/69/85/488796985.db2.gz SIKXCMYPQFJNTN-ZDUSSCGKSA-N 1 0 357.414 0.947 20 70 FCIDRO Cc1cnn(-c2ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc2F)c1 ZINC000161473110 488797157 /nfs/dbraw/zinc/79/71/57/488797157.db2.gz OQGIWLCSUMKFIM-INIZCTEOSA-N 1 0 370.450 0.911 20 70 FCIDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000161388737 527965105 /nfs/dbraw/zinc/96/51/05/527965105.db2.gz SUIAAVAQXRCKJK-GRYCIOLGSA-N 1 0 351.369 0.359 20 70 FCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000161424917 208837844 /nfs/dbraw/zinc/83/78/44/208837844.db2.gz JDGSKNHUEPUQTR-INIZCTEOSA-N 1 0 352.460 0.522 20 70 FCIDRO Cc1nn(C)c2ncc(S(=O)(=O)NCC3CC[NH+](CCO)CC3)cc12 ZINC000161413653 229199184 /nfs/dbraw/zinc/19/91/84/229199184.db2.gz QJOJSSXYAAZYBA-UHFFFAOYSA-N 1 0 367.475 0.259 20 70 FCIDRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)n1nnc(-c2ccccc2)n1 ZINC000160012396 488788992 /nfs/dbraw/zinc/78/89/92/488788992.db2.gz NRWMOFBWDJVMNN-GOEBONIOSA-N 1 0 358.446 0.864 20 70 FCIDRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000160110294 488789373 /nfs/dbraw/zinc/78/93/73/488789373.db2.gz NQWRJSYWTRQFLF-GFCCVEGCSA-N 1 0 357.480 0.281 20 70 FCIDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1 ZINC000160518217 488792294 /nfs/dbraw/zinc/79/22/94/488792294.db2.gz RXYXFBQQWKWSPR-INIZCTEOSA-N 1 0 368.441 0.646 20 70 FCIDRO CCC(CC)(C[NH3+])C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000161279833 488795686 /nfs/dbraw/zinc/79/56/86/488795686.db2.gz SQQFOXCVCTXRMS-UHFFFAOYSA-N 1 0 362.478 0.397 20 70 FCIDRO Cc1nc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000161335443 488796110 /nfs/dbraw/zinc/79/61/10/488796110.db2.gz NNSCTHHPBFYYEO-YUMQZZPRSA-N 1 0 358.328 0.712 20 70 FCIDRO Cc1nc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000161335725 488796195 /nfs/dbraw/zinc/79/61/95/488796195.db2.gz NNSCTHHPBFYYEO-SFYZADRCSA-N 1 0 358.328 0.712 20 70 FCIDRO NC(=O)[C@H]1CC[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000161429677 488796959 /nfs/dbraw/zinc/79/69/59/488796959.db2.gz GFJBGSCFYUXTOV-DLBZAZTESA-N 1 0 360.458 0.348 20 70 FCIDRO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159813155 534432625 /nfs/dbraw/zinc/43/26/25/534432625.db2.gz WXJIAQZTINXOTH-TXEJJXNPSA-N 1 0 373.425 0.986 20 70 FCIDRO CCCS(=O)(=O)N1CCC(NC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000159596793 528802758 /nfs/dbraw/zinc/80/27/58/528802758.db2.gz UAOWYIDBBLESIT-UHFFFAOYSA-N 1 0 360.524 0.928 20 70 FCIDRO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161387171 547387035 /nfs/dbraw/zinc/38/70/35/547387035.db2.gz ASCNPWJUFHCNET-GOEBONIOSA-N 1 0 366.487 0.238 20 70 FCIDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)F)nn3)CC[C@H]2C1 ZINC001164852857 720877836 /nfs/dbraw/zinc/87/78/36/720877836.db2.gz ACJYDLGMMKFUPF-QWHCGFSZSA-N 1 0 374.438 0.308 20 70 FCIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000160734787 208832027 /nfs/dbraw/zinc/83/20/27/208832027.db2.gz KDCQWGBFYWSCSY-HOCLYGCPSA-N 1 0 351.472 0.968 20 70 FCIDRO C[C@@H]1CN(C(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C[C@@H](C)O1 ZINC000159382595 488785198 /nfs/dbraw/zinc/78/51/98/488785198.db2.gz YNCBWCCLNUNDHE-IIAWOOMASA-N 1 0 352.479 0.036 20 70 FCIDRO Cn1cnc(S(=O)(=O)NCC(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159682323 488786957 /nfs/dbraw/zinc/78/69/57/488786957.db2.gz NCBVHNNBFOXUOO-UHFFFAOYSA-N 1 0 357.480 0.127 20 70 FCIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000159806171 488787355 /nfs/dbraw/zinc/78/73/55/488787355.db2.gz HGGBXUWNNCZZCU-QGZVFWFLSA-N 1 0 368.441 0.646 20 70 FCIDRO CN(C)c1cccc(C[N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000159862247 488787751 /nfs/dbraw/zinc/78/77/51/488787751.db2.gz OCFXXKYUJQTKJT-UHFFFAOYSA-N 1 0 370.457 0.632 20 70 FCIDRO C[C@@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000159875428 488787767 /nfs/dbraw/zinc/78/77/67/488787767.db2.gz KTNCBTKWCWVHMP-LLVKDONJSA-N 1 0 370.247 0.846 20 70 FCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000160032518 488789097 /nfs/dbraw/zinc/78/90/97/488789097.db2.gz OVEOMQYZYZEGDO-QZTJIDSGSA-N 1 0 359.470 0.998 20 70 FCIDRO CC[N@H+](CCNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)C(C)C ZINC000160178367 488789661 /nfs/dbraw/zinc/78/96/61/488789661.db2.gz QATZIVHINUCJAK-UHFFFAOYSA-N 1 0 361.446 0.401 20 70 FCIDRO CCNC(=O)CN(CC)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000160203375 488789741 /nfs/dbraw/zinc/78/97/41/488789741.db2.gz YLLBGVHZPUMOAN-AWEZNQCLSA-N 1 0 364.446 0.411 20 70 FCIDRO O=C(CCn1cnc2sccc2c1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160149948 488789751 /nfs/dbraw/zinc/78/97/51/488789751.db2.gz JVTUFCJDCLXODB-CYBMUJFWSA-N 1 0 364.471 0.811 20 70 FCIDRO COCc1nc2n(n1)C[C@@H](NC(=O)N(CC[NH+](C)C)CC(C)C)CC2 ZINC000160624040 488792888 /nfs/dbraw/zinc/79/28/88/488792888.db2.gz SWRPFHMOGPJTCJ-AWEZNQCLSA-N 1 0 352.483 0.969 20 70 FCIDRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(C[NH3+])o3)cn2)C[C@@H](C)O1 ZINC000160710803 488793240 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720891787 /nfs/dbraw/zinc/89/17/87/720891787.db2.gz CBWRNHCQFFTVTA-ZFWWWQNUSA-N 1 0 373.450 0.913 20 70 FCIDRO CS(=O)(=O)Nc1ccc(NC(=O)NCCCN2CCOCC2)cc1 ZINC000217282650 209339303 /nfs/dbraw/zinc/33/93/03/209339303.db2.gz SVQAAJWZYOJBDI-UHFFFAOYSA-N 1 0 356.448 0.902 20 70 FCIDRO CC(C)C[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000160712777 208832261 /nfs/dbraw/zinc/83/22/61/208832261.db2.gz YWWAMRFAIBFOHT-NFAWXSAZSA-N 1 0 351.451 0.831 20 70 FCIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000159420182 488785250 /nfs/dbraw/zinc/78/52/50/488785250.db2.gz WHNNBUGAGAZBRI-CHWSQXEVSA-N 1 0 362.396 0.564 20 70 FCIDRO C[C@@H]1CN(C(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C[C@H](C)O1 ZINC000159382321 488785405 /nfs/dbraw/zinc/78/54/05/488785405.db2.gz YNCBWCCLNUNDHE-IJEWVQPXSA-N 1 0 352.479 0.036 20 70 FCIDRO Cc1c(CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cnn1C ZINC000159843543 488787745 /nfs/dbraw/zinc/78/77/45/488787745.db2.gz VBMDUQJFCZRIRB-UHFFFAOYSA-N 1 0 357.462 0.875 20 70 FCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000159975829 488788588 /nfs/dbraw/zinc/78/85/88/488788588.db2.gz JZNCVHGNKRFWHB-NVXWUHKLSA-N 1 0 360.458 0.393 20 70 FCIDRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000160110153 488789390 /nfs/dbraw/zinc/78/93/90/488789390.db2.gz NQWRJSYWTRQFLF-LBPRGKRZSA-N 1 0 357.480 0.281 20 70 FCIDRO O=C(CCn1nnc2ccccc2c1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160402137 488790994 /nfs/dbraw/zinc/79/09/94/488790994.db2.gz CRMZPHYAJHVEJT-CQSZACIVSA-N 1 0 359.430 0.145 20 70 FCIDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000160606772 488792643 /nfs/dbraw/zinc/79/26/43/488792643.db2.gz LGVQPSMALSFSIQ-ZIAGYGMSSA-N 1 0 350.467 0.723 20 70 FCIDRO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000160827392 488793565 /nfs/dbraw/zinc/79/35/65/488793565.db2.gz HUGVFJJYEXGBQU-HUUCEWRRSA-N 1 0 362.478 0.867 20 70 FCIDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)N2CCOCC2)CC1 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1 0 358.442 0.750 20 70 FCIDRO CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@H]([NH2+]C)C3)cc(C3CC3)nc21 ZINC000160524654 229197762 /nfs/dbraw/zinc/19/77/62/229197762.db2.gz SBFNJKSFDKTUTO-NSHDSACASA-N 1 0 357.414 0.416 20 70 FCIDRO Cn1cc(N2CCN(C(=O)c3cccn3C3CC[NH2+]CC3)CC2=O)cn1 ZINC000159387519 488785061 /nfs/dbraw/zinc/78/50/61/488785061.db2.gz BDZQAEOZGBIIND-UHFFFAOYSA-N 1 0 356.430 0.635 20 70 FCIDRO CC(C)c1nc(NCCCC[NH+]2CCN(CCO)CC2)nc(N(C)C)n1 ZINC000159775858 488787450 /nfs/dbraw/zinc/78/74/50/488787450.db2.gz GUOZULBQJRUWEN-UHFFFAOYSA-N 1 0 365.526 0.863 20 70 FCIDRO CC[N@@H+]1CCCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000159840935 488787892 /nfs/dbraw/zinc/78/78/92/488787892.db2.gz KFLQXIYJPRCSSU-UHFFFAOYSA-N 1 0 360.524 0.233 20 70 FCIDRO CCCC[N@H+](C)CCNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000159952604 488788443 /nfs/dbraw/zinc/78/84/43/488788443.db2.gz NDLZSGIFXLRONG-UHFFFAOYSA-N 1 0 361.446 0.402 20 70 FCIDRO [NH3+][C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000160320370 488790481 /nfs/dbraw/zinc/79/04/81/488790481.db2.gz QGQBLPVBQVEQPT-SSDOTTSWSA-N 1 0 368.278 0.349 20 70 FCIDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000160431262 488791529 /nfs/dbraw/zinc/79/15/29/488791529.db2.gz TYMIEDGXUIEDCP-AWEZNQCLSA-N 1 0 357.462 0.866 20 70 FCIDRO Cc1cc(=O)c(C(=O)NCC2CC[NH+](CCO)CC2)nn1-c1ccccc1 ZINC000160546181 488792132 /nfs/dbraw/zinc/79/21/32/488792132.db2.gz KEDDFDCSAHDNAB-UHFFFAOYSA-N 1 0 370.453 0.975 20 70 FCIDRO CCC(=O)N1CC[C@H](C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000161136784 488795338 /nfs/dbraw/zinc/79/53/38/488795338.db2.gz GWOPGQXJALOMTA-HNNXBMFYSA-N 1 0 350.507 0.920 20 70 FCIDRO C[NH+]1CCN(Cc2ccc(C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000161124478 488795343 /nfs/dbraw/zinc/79/53/43/488795343.db2.gz IPYMIVNOEOKQIT-IAGOWNOFSA-N 1 0 360.458 0.197 20 70 FCIDRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000161429832 488796716 /nfs/dbraw/zinc/79/67/16/488796716.db2.gz GFJBGSCFYUXTOV-IRXDYDNUSA-N 1 0 360.458 0.348 20 70 FCIDRO CNC(=O)[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160048300 547352437 /nfs/dbraw/zinc/35/24/37/547352437.db2.gz GTXSSIDUHLIJIG-JYJNAYRXSA-N 1 0 352.479 0.674 20 70 FCIDRO O=C(NCCCN1C(=O)c2ccccc2C1=O)NCCN1CCOCC1 ZINC000217306088 209340114 /nfs/dbraw/zinc/34/01/14/209340114.db2.gz SAFQYEWMRIZWPJ-UHFFFAOYSA-N 1 0 360.414 0.304 20 70 FCIDRO O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000159665102 208822588 /nfs/dbraw/zinc/82/25/88/208822588.db2.gz DVSRCJFHWYDRNJ-HNNXBMFYSA-N 1 0 351.472 0.707 20 70 FCIDRO O=C(CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1)NC1CC1 ZINC000160850934 208833653 /nfs/dbraw/zinc/83/36/53/208833653.db2.gz PPJJTPNNOBFCSN-INIZCTEOSA-N 1 0 363.506 0.609 20 70 FCIDRO C[C@@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)C[NH+]1CCN(C)CC1 ZINC000159431848 488785079 /nfs/dbraw/zinc/78/50/79/488785079.db2.gz WBZPMZJNGBUILB-JKSUJKDBSA-N 1 0 364.494 0.925 20 70 FCIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000159390964 488785346 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FCIDRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160656864 488792698 /nfs/dbraw/zinc/79/26/98/488792698.db2.gz GVSYJIQNTKMZPC-CVEARBPZSA-N 1 0 372.535 0.974 20 70 FCIDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000160718769 488793254 /nfs/dbraw/zinc/79/32/54/488793254.db2.gz BINADRFNTHEKBH-GOOCMWNKSA-N 1 0 361.446 0.601 20 70 FCIDRO O=S(=O)(Cc1ccon1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161380020 488796369 /nfs/dbraw/zinc/79/63/69/488796369.db2.gz CTQXUANOPBZONP-UHFFFAOYSA-N 1 0 356.492 0.998 20 70 FCIDRO C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)c2)CC1 ZINC000161507166 488797317 /nfs/dbraw/zinc/79/73/17/488797317.db2.gz AAMWGHFPTHONKM-IRXDYDNUSA-N 1 0 360.458 0.197 20 70 FCIDRO O=S(=O)(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1c[nH]cn1 ZINC000161135657 534869632 /nfs/dbraw/zinc/86/96/32/534869632.db2.gz PMZWFZWETYGPBR-UHFFFAOYSA-N 1 0 350.444 0.845 20 70 FCIDRO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cnc21 ZINC000160599617 528807421 /nfs/dbraw/zinc/80/74/21/528807421.db2.gz GQGPPJXETYAXGR-BETUJISGSA-N 1 0 357.414 0.461 20 70 FCIDRO CCN(C(=O)CN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161392063 547386749 /nfs/dbraw/zinc/38/67/49/547386749.db2.gz OECSFTAAIDFPGF-MRXNPFEDSA-N 1 0 366.487 0.239 20 70 FCIDRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159547160 488785892 /nfs/dbraw/zinc/78/58/92/488785892.db2.gz MGVYCPUXZWDULV-GFCCVEGCSA-N 1 0 371.507 0.482 20 70 FCIDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC1CCOCC1 ZINC000159794736 488787342 /nfs/dbraw/zinc/78/73/42/488787342.db2.gz QXYXVUDNGOIOJD-MRXNPFEDSA-N 1 0 354.495 0.997 20 70 FCIDRO C[C@H](CNC(=O)N[C@@H](C)c1nnnn1-c1ccccc1)CN1CCOCC1 ZINC000160175811 488789687 /nfs/dbraw/zinc/78/96/87/488789687.db2.gz XCVWQAKKHOUZCK-CABCVRRESA-N 1 0 373.461 0.991 20 70 FCIDRO Cn1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C(N)=O ZINC000160168354 488789926 /nfs/dbraw/zinc/78/99/26/488789926.db2.gz AOECXIKLPMCMAP-ZDUSSCGKSA-N 1 0 354.476 0.763 20 70 FCIDRO C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)CN1CCOCC1 ZINC000160381723 488790801 /nfs/dbraw/zinc/79/08/01/488790801.db2.gz XHJQEKDOIUIERK-DLBZAZTESA-N 1 0 368.522 0.755 20 70 FCIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000160523522 488792061 /nfs/dbraw/zinc/79/20/61/488792061.db2.gz PCAKSGDBEXPUTJ-AWEZNQCLSA-N 1 0 363.462 0.722 20 70 FCIDRO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160652996 488792465 /nfs/dbraw/zinc/79/24/65/488792465.db2.gz NSSNFHIJGKGRIP-MRXNPFEDSA-N 1 0 351.447 0.855 20 70 FCIDRO O=C(NCCO)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160639107 488792717 /nfs/dbraw/zinc/79/27/17/488792717.db2.gz FFWYWJRACHFZQP-HNNXBMFYSA-N 1 0 357.414 0.377 20 70 FCIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160618212 488792833 /nfs/dbraw/zinc/79/28/33/488792833.db2.gz RUSRJHKZJYKJIR-SECBINFHSA-N 1 0 353.366 0.924 20 70 FCIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000160639804 488792836 /nfs/dbraw/zinc/79/28/36/488792836.db2.gz XYKIVANFJLUQLO-CVEARBPZSA-N 1 0 350.463 0.504 20 70 FCIDRO O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1CC[NH+](CCO)CC1 ZINC000160712739 488793227 /nfs/dbraw/zinc/79/32/27/488793227.db2.gz AFBCVSYLJUUNDO-UHFFFAOYSA-N 1 0 370.453 0.731 20 70 FCIDRO CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160851386 488794063 /nfs/dbraw/zinc/79/40/63/488794063.db2.gz FOHMUAOABWWKOZ-INIZCTEOSA-N 1 0 365.522 0.855 20 70 FCIDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CCc3nc(COC)nn3C2)C1 ZINC000161066037 488794674 /nfs/dbraw/zinc/79/46/74/488794674.db2.gz LMPQHABOMDQCJZ-KBPBESRZSA-N 1 0 350.467 0.865 20 70 FCIDRO NC(=O)[C@H]1CC[C@@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000161116479 488794964 /nfs/dbraw/zinc/79/49/64/488794964.db2.gz SWKWRHFGDQOXHG-ZWKOTPCHSA-N 1 0 374.485 0.738 20 70 FCIDRO C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)c2)CC1 ZINC000161507063 488797285 /nfs/dbraw/zinc/79/72/85/488797285.db2.gz AAMWGHFPTHONKM-IAGOWNOFSA-N 1 0 360.458 0.197 20 70 FCIDRO CC[NH+](CC)CCN(C(=O)c1n[nH]c2c1CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000161498217 488797456 /nfs/dbraw/zinc/79/74/56/488797456.db2.gz ZRFKGRNZWCRQRB-ZDUSSCGKSA-N 1 0 368.503 0.870 20 70 FCIDRO CC[NH+]1CCC(NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000159911347 528985459 /nfs/dbraw/zinc/98/54/59/528985459.db2.gz RSWNWPKROBZXTE-UHFFFAOYSA-N 1 0 359.430 0.155 20 70 FCIDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(S(=O)(=O)F)nn2)C1 ZINC001164732535 720525926 /nfs/dbraw/zinc/52/59/26/720525926.db2.gz DISCXYISAGNVIZ-NSHDSACASA-N 1 0 354.411 0.529 20 70 FCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000161184867 208835342 /nfs/dbraw/zinc/83/53/42/208835342.db2.gz QWWREYVHEJKYJT-HNAYVOBHSA-N 1 0 358.442 0.972 20 70 FCIDRO CC[N@@H+]1CCCN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000159525760 488785656 /nfs/dbraw/zinc/78/56/56/488785656.db2.gz CVIWLNIETQVXIQ-UHFFFAOYSA-N 1 0 359.430 0.108 20 70 FCIDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ncccc1F ZINC000159841169 488787854 /nfs/dbraw/zinc/78/78/54/488787854.db2.gz QVCSFNFIWFMZFZ-OAHLLOKOSA-N 1 0 351.426 0.963 20 70 FCIDRO C[NH+]1CCC(CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000159903640 488787961 /nfs/dbraw/zinc/78/79/61/488787961.db2.gz CFTLXYCBDMAZJJ-UHFFFAOYSA-N 1 0 373.501 0.968 20 70 FCIDRO Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000159916990 488788250 /nfs/dbraw/zinc/78/82/50/488788250.db2.gz FHFVDMAYJJSSPT-UHFFFAOYSA-N 1 0 368.441 0.792 20 70 FCIDRO C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCC[NH3+] ZINC000160135099 488789235 /nfs/dbraw/zinc/78/92/35/488789235.db2.gz CKEYTVYBKZSASX-SECBINFHSA-N 1 0 353.366 0.837 20 70 FCIDRO C[N@H+](C[C@@H](O)CN1CCOCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160086374 488789523 /nfs/dbraw/zinc/78/95/23/488789523.db2.gz CLOCKGVDSPLPKR-QGZVFWFLSA-N 1 0 355.523 0.896 20 70 FCIDRO CCS(=O)(=O)N1CCC(C(=O)N2CC[C@@H]([NH3+])C2)(c2ccccc2)CC1 ZINC000160318027 488790570 /nfs/dbraw/zinc/79/05/70/488790570.db2.gz UIZMGIHEJJOPNU-MRXNPFEDSA-N 1 0 365.499 0.930 20 70 FCIDRO C[C@@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000160385424 488790812 /nfs/dbraw/zinc/79/08/12/488790812.db2.gz VFGQKLUEYDGUSR-SFHVURJKSA-N 1 0 374.533 0.792 20 70 FCIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000160391730 488790932 /nfs/dbraw/zinc/79/09/32/488790932.db2.gz SMXQZGQLFKEKKD-UHFFFAOYSA-N 1 0 354.838 0.945 20 70 FCIDRO C[NH+](C)Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000160496128 488791646 /nfs/dbraw/zinc/79/16/46/488791646.db2.gz KAZZVXMUXHWBED-UHFFFAOYSA-N 1 0 358.442 0.311 20 70 FCIDRO Cc1ccnc2nc(C(=O)NC[C@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)nn21 ZINC000160545340 488792044 /nfs/dbraw/zinc/79/20/44/488792044.db2.gz NUIKLIHFKJLMKX-HZPDHXFCSA-N 1 0 366.425 0.798 20 70 FCIDRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160657231 488792522 /nfs/dbraw/zinc/79/25/22/488792522.db2.gz GVSYJIQNTKMZPC-JKSUJKDBSA-N 1 0 372.535 0.974 20 70 FCIDRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(C[NH3+])o3)cn2)C[C@H](C)O1 ZINC000160710676 488793301 /nfs/dbraw/zinc/79/33/01/488793301.db2.gz IUMLVZLSFLLARQ-RYUDHWBXSA-N 1 0 361.402 0.823 20 70 FCIDRO CN(C[C@H](O)CN1CCOCC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160900902 488794120 /nfs/dbraw/zinc/79/41/20/488794120.db2.gz VFGVNFIXSKXJIJ-MAUKXSAKSA-N 1 0 365.449 0.946 20 70 FCIDRO O=C(CN1C(=O)CCC1=O)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160925508 488794175 /nfs/dbraw/zinc/79/41/75/488794175.db2.gz MFAUNMYMIOTGJW-UHFFFAOYSA-N 1 0 350.463 0.156 20 70 FCIDRO CN1CCN(C(=O)[C@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000161000954 488794449 /nfs/dbraw/zinc/79/44/49/488794449.db2.gz RJOKATHGDHFYFC-HUUCEWRRSA-N 1 0 354.520 0.189 20 70 FCIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCc3nc(COC)nn3C2)C1 ZINC000161065931 488794464 /nfs/dbraw/zinc/79/44/64/488794464.db2.gz LMPQHABOMDQCJZ-UONOGXRCSA-N 1 0 350.467 0.865 20 70 FCIDRO CCCCN1CCc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc21 ZINC000161319478 488796157 /nfs/dbraw/zinc/79/61/57/488796157.db2.gz FXPBRNIMZCJWHB-INIZCTEOSA-N 1 0 362.474 0.826 20 70 FCIDRO CCN(C(=O)CN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000161392181 547386835 /nfs/dbraw/zinc/38/68/35/547386835.db2.gz OECSFTAAIDFPGF-INIZCTEOSA-N 1 0 366.487 0.239 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000161306011 229197658 /nfs/dbraw/zinc/19/76/58/229197658.db2.gz OZYPPCHFTLRKCU-UHFFFAOYSA-N 1 0 370.393 0.665 20 70 FCIDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000159497528 488785744 /nfs/dbraw/zinc/78/57/44/488785744.db2.gz JIGWLMLGBGFIOO-ZDUSSCGKSA-N 1 0 371.441 0.155 20 70 FCIDRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000159901922 488787991 /nfs/dbraw/zinc/78/79/91/488787991.db2.gz TXSZKLKIYREEKZ-HUUCEWRRSA-N 1 0 351.451 0.840 20 70 FCIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCC(=O)NC2CCCC2)CC1 ZINC000159807783 488788091 /nfs/dbraw/zinc/78/80/91/488788091.db2.gz YMVLSEGWTNZFBD-MRXNPFEDSA-N 1 0 364.490 0.590 20 70 FCIDRO O=C(Cn1cc(Br)ccc1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160328394 488790447 /nfs/dbraw/zinc/79/04/47/488790447.db2.gz PEJZDMNLUKDUOG-CYBMUJFWSA-N 1 0 372.263 0.574 20 70 FCIDRO Cn1cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cn1 ZINC000160364736 488790838 /nfs/dbraw/zinc/79/08/38/488790838.db2.gz BBSABXAZYGLYHQ-INIZCTEOSA-N 1 0 358.446 0.831 20 70 FCIDRO CC(C)CCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)n1 ZINC000160391456 488791236 /nfs/dbraw/zinc/79/12/36/488791236.db2.gz CUTNAICGBLSHGS-UHFFFAOYSA-N 1 0 365.478 0.831 20 70 FCIDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000160476747 488791513 /nfs/dbraw/zinc/79/15/13/488791513.db2.gz RQKKJKDPAAZUGO-JYJNAYRXSA-N 1 0 354.495 0.732 20 70 FCIDRO Cn1cc(N2CCC[C@H](N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160519050 488791896 /nfs/dbraw/zinc/79/18/96/488791896.db2.gz HWCPKLASDMPRQS-KRWDZBQOSA-N 1 0 374.489 0.156 20 70 FCIDRO COCc1nc2n(n1)C[C@H](NC(=O)N(CC[NH+](C)C)CC(C)C)CC2 ZINC000160623916 488792658 /nfs/dbraw/zinc/79/26/58/488792658.db2.gz SWRPFHMOGPJTCJ-CQSZACIVSA-N 1 0 352.483 0.969 20 70 FCIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)CCS(C)(=O)=O)CC2)CC1 ZINC000160964076 488794283 /nfs/dbraw/zinc/79/42/83/488794283.db2.gz JWDWQLPWPWGYFH-UHFFFAOYSA-N 1 0 366.549 0.994 20 70 FCIDRO CCC(=O)N1CC[C@@H](C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000161458904 488796536 /nfs/dbraw/zinc/79/65/36/488796536.db2.gz WPWVLKZUOVDZIU-MRXNPFEDSA-N 1 0 364.490 0.402 20 70 FCIDRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000160288664 547383312 /nfs/dbraw/zinc/38/33/12/547383312.db2.gz YRWZVXGWBYJPRM-UHFFFAOYSA-N 1 0 364.427 0.887 20 70 FCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000161469104 208836594 /nfs/dbraw/zinc/83/65/94/208836594.db2.gz LVQJENVFXXBYBY-HNNXBMFYSA-N 1 0 356.423 0.602 20 70 FCIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000159391081 488785304 /nfs/dbraw/zinc/78/53/04/488785304.db2.gz KVFVQHUVOYVNFL-AWEZNQCLSA-N 1 0 371.445 0.695 20 70 FCIDRO O=C(Nc1ccc(F)nc1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000159463445 488785425 /nfs/dbraw/zinc/78/54/25/488785425.db2.gz IDIKXOVAQFZCFI-ZDUSSCGKSA-N 1 0 350.394 0.730 20 70 FCIDRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC000159498311 488785555 /nfs/dbraw/zinc/78/55/55/488785555.db2.gz QXETXOIFAZSNKP-UHFFFAOYSA-N 1 0 369.491 0.295 20 70 FCIDRO CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000159532366 488785762 /nfs/dbraw/zinc/78/57/62/488785762.db2.gz FLPSIALVROCILC-QGZVFWFLSA-N 1 0 365.499 0.973 20 70 FCIDRO CN(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000159907866 488787980 /nfs/dbraw/zinc/78/79/80/488787980.db2.gz WVCCJABZCPERDU-MRXNPFEDSA-N 1 0 374.489 0.458 20 70 FCIDRO O=C(NCCCO)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159925293 488788204 /nfs/dbraw/zinc/78/82/04/488788204.db2.gz GMPXIWNOZAHENV-MRXNPFEDSA-N 1 0 371.441 0.767 20 70 FCIDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000159977395 488788228 /nfs/dbraw/zinc/78/82/28/488788228.db2.gz CUDXHCYDNULTJM-KRWDZBQOSA-N 1 0 365.522 0.809 20 70 FCIDRO C[NH+](C)CCCC1CCN(C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000160117476 488789211 /nfs/dbraw/zinc/78/92/11/488789211.db2.gz KPOAKNJXKQRAAX-UHFFFAOYSA-N 1 0 354.495 0.999 20 70 FCIDRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000160417702 488791398 /nfs/dbraw/zinc/79/13/98/488791398.db2.gz WEDOTPVJBGMBLU-UHFFFAOYSA-N 1 0 359.224 0.477 20 70 FCIDRO O=C(CCn1cnc2ccccc2c1=O)NCC1CC[NH+](CCO)CC1 ZINC000160715622 488793020 /nfs/dbraw/zinc/79/30/20/488793020.db2.gz MLBSVUPDQXSXPY-UHFFFAOYSA-N 1 0 358.442 0.607 20 70 FCIDRO Cn1cc(C(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cn1 ZINC000161048365 488794528 /nfs/dbraw/zinc/79/45/28/488794528.db2.gz YFXLRMJJNKSGEJ-INIZCTEOSA-N 1 0 371.441 0.008 20 70 FCIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000161249745 488795753 /nfs/dbraw/zinc/79/57/53/488795753.db2.gz FMIPFVVLYLSKKK-UHFFFAOYSA-N 1 0 358.464 0.414 20 70 FCIDRO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)cnc21 ZINC000161240880 488795805 /nfs/dbraw/zinc/79/58/05/488795805.db2.gz FVXSHJLZKZKALJ-WFASDCNBSA-N 1 0 373.457 0.953 20 70 FCIDRO Cc1c(C(=O)NC2CC[NH+](C(C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000159851971 533778086 /nfs/dbraw/zinc/77/80/86/533778086.db2.gz DDWLNYUTQFEGKR-UHFFFAOYSA-N 1 0 373.457 0.543 20 70 FCIDRO C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000160652991 532957434 /nfs/dbraw/zinc/95/74/34/532957434.db2.gz BQCGWGLWVTVKMN-SNVBAGLBSA-N 1 0 366.215 0.865 20 70 FCIDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000160718083 229197120 /nfs/dbraw/zinc/19/71/20/229197120.db2.gz ZUWYSTVAQRPXGC-HOTGVXAUSA-N 1 0 363.462 0.978 20 70 FCIDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000160717963 229198138 /nfs/dbraw/zinc/19/81/38/229198138.db2.gz ZUWYSTVAQRPXGC-CVEARBPZSA-N 1 0 363.462 0.978 20 70 FCIDRO CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000159532224 488785585 /nfs/dbraw/zinc/78/55/85/488785585.db2.gz FLPSIALVROCILC-KRWDZBQOSA-N 1 0 365.499 0.973 20 70 FCIDRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCn3cccc3)c2)CC1 ZINC000160140148 488789409 /nfs/dbraw/zinc/78/94/09/488789409.db2.gz WIMQMIDZTKULRN-UHFFFAOYSA-N 1 0 369.469 0.990 20 70 FCIDRO C[C@@H](NC(=O)NC[C@H](C)CN1CCOCC1)c1nnnn1-c1ccccc1 ZINC000160175925 488789779 /nfs/dbraw/zinc/78/97/79/488789779.db2.gz XCVWQAKKHOUZCK-LSDHHAIUSA-N 1 0 373.461 0.991 20 70 FCIDRO CN1CC[NH+](CCCCNC(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000160313213 488790368 /nfs/dbraw/zinc/79/03/68/488790368.db2.gz DPRNCOJKGGJIKZ-UHFFFAOYSA-N 1 0 374.533 0.936 20 70 FCIDRO CN1CCN([C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000160488645 488791777 /nfs/dbraw/zinc/79/17/77/488791777.db2.gz OLOIWAJHAKDDIL-UXHICEINSA-N 1 0 374.529 0.938 20 70 FCIDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3(NC(N)=O)CC3)cc2)CC1 ZINC000160511036 488792222 /nfs/dbraw/zinc/79/22/22/488792222.db2.gz FVQHMBMKSHWOHC-UHFFFAOYSA-N 1 0 359.474 0.641 20 70 FCIDRO Cc1nc2ncnn2c(C)c1CCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160678484 488793203 /nfs/dbraw/zinc/79/32/03/488793203.db2.gz FJBLJFLJDQUQJV-UHFFFAOYSA-N 1 0 360.462 0.494 20 70 FCIDRO COCCNC(=O)Cn1cc(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cn1 ZINC000160716057 488793295 /nfs/dbraw/zinc/79/32/95/488793295.db2.gz JGUJUFUXERFVNY-OAHLLOKOSA-N 1 0 365.821 0.938 20 70 FCIDRO C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000161124387 488795021 /nfs/dbraw/zinc/79/50/21/488795021.db2.gz IPYMIVNOEOKQIT-DLBZAZTESA-N 1 0 360.458 0.197 20 70 FCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000161184956 488795306 /nfs/dbraw/zinc/79/53/06/488795306.db2.gz QWWREYVHEJKYJT-KXBFYZLASA-N 1 0 358.442 0.972 20 70 FCIDRO Cc1cnccc1CCNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000161248756 488795825 /nfs/dbraw/zinc/79/58/25/488795825.db2.gz CEFVGDMBCDMURY-UHFFFAOYSA-N 1 0 363.506 0.622 20 70 FCIDRO Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CC2)c1 ZINC000161364194 488796221 /nfs/dbraw/zinc/79/62/21/488796221.db2.gz VJNSMDOYBUYHMD-ROUUACIJSA-N 1 0 374.485 0.656 20 70 FCIDRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000161385992 488796242 /nfs/dbraw/zinc/79/62/42/488796242.db2.gz BFHHRDMXAHYJFW-MRXNPFEDSA-N 1 0 360.458 0.856 20 70 FCIDRO Cc1cc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c(F)cc1F ZINC000161304138 534033473 /nfs/dbraw/zinc/03/34/73/534033473.db2.gz AXNYTAHLEXPZQT-UHFFFAOYSA-N 1 0 366.430 0.834 20 70 FCIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000161008255 527967025 /nfs/dbraw/zinc/96/70/25/527967025.db2.gz SOGSCPSNNGJLCL-ROUUACIJSA-N 1 0 370.538 0.831 20 70 FCIDRO CNC(=O)[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160048029 547352454 /nfs/dbraw/zinc/35/24/54/547352454.db2.gz GTXSSIDUHLIJIG-PMPSAXMXSA-N 1 0 352.479 0.674 20 70 FCIDRO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160565146 208830145 /nfs/dbraw/zinc/83/01/45/208830145.db2.gz JXPTYJAWZHIKOI-QZTJIDSGSA-N 1 0 372.473 0.728 20 70 FCIDRO NC(=O)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)nn1-c1ccccc1 ZINC000160230685 229196904 /nfs/dbraw/zinc/19/69/04/229196904.db2.gz RWDIUIYZQMKGDK-OAHLLOKOSA-N 1 0 371.441 0.548 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccccc1Cl ZINC000161302665 229197296 /nfs/dbraw/zinc/19/72/96/229197296.db2.gz ALYPXCNUGLDZNI-UHFFFAOYSA-N 1 0 350.868 0.901 20 70 FCIDRO C[C@@H](CCO)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000159419054 488785028 /nfs/dbraw/zinc/78/50/28/488785028.db2.gz ACROHZXSHCKVGF-YOEHRIQHSA-N 1 0 362.474 0.954 20 70 FCIDRO CC(C)N(CC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000159532275 488785538 /nfs/dbraw/zinc/78/55/38/488785538.db2.gz JKVYBPUSQJJHKK-UHFFFAOYSA-N 1 0 360.524 0.925 20 70 FCIDRO CC(C)(CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)NS(C)(=O)=O ZINC000159524527 488785733 /nfs/dbraw/zinc/78/57/33/488785733.db2.gz YESZAJPHTMHYRM-CQSZACIVSA-N 1 0 360.524 0.974 20 70 FCIDRO C[NH+](C)CCn1nnnc1S[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000159577250 488786276 /nfs/dbraw/zinc/78/62/76/488786276.db2.gz RXAGGBHNSBOBBM-VIFPVBQESA-N 1 0 352.386 0.880 20 70 FCIDRO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159927583 488788256 /nfs/dbraw/zinc/78/82/56/488788256.db2.gz FFHGRXHWNGSLAC-HOCLYGCPSA-N 1 0 351.447 0.997 20 70 FCIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160093522 488789463 /nfs/dbraw/zinc/78/94/63/488789463.db2.gz CKARPVJIONMRNZ-KRWDZBQOSA-N 1 0 360.506 0.545 20 70 FCIDRO Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160203594 488789875 /nfs/dbraw/zinc/78/98/75/488789875.db2.gz IGDJLKJFIXBASI-CQSZACIVSA-N 1 0 354.472 0.975 20 70 FCIDRO CNC(=O)CN1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000160386617 488791207 /nfs/dbraw/zinc/79/12/07/488791207.db2.gz PTNCJFOCVIUONR-UHFFFAOYSA-N 1 0 367.538 0.960 20 70 FCIDRO CCn1c2ccccc2n(CC(=O)NCC2CC[NH+](CCO)CC2)c1=O ZINC000160548920 488792176 /nfs/dbraw/zinc/79/21/76/488792176.db2.gz KSMOQIAIFVATCY-UHFFFAOYSA-N 1 0 360.458 0.643 20 70 FCIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160618097 488792497 /nfs/dbraw/zinc/79/24/97/488792497.db2.gz RUSRJHKZJYKJIR-VIFPVBQESA-N 1 0 353.366 0.924 20 70 FCIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000160606686 488792452 /nfs/dbraw/zinc/79/24/52/488792452.db2.gz LGVQPSMALSFSIQ-UONOGXRCSA-N 1 0 350.467 0.723 20 70 FCIDRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)CC3CC[NH2+]CC3)cn2)C[C@H](C)O1 ZINC000160711029 488793211 /nfs/dbraw/zinc/79/32/11/488793211.db2.gz RGSNWXNARNIOHU-KBPBESRZSA-N 1 0 363.462 0.847 20 70 FCIDRO O=C(Cn1cc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cn1)N1CCOCC1 ZINC000160720472 488793236 /nfs/dbraw/zinc/79/32/36/488793236.db2.gz HQYFNTBGBLEPDU-GOSISDBHSA-N 1 0 369.425 0.567 20 70 FCIDRO C[NH+]1CCN(c2ccc(NC(=O)CS(=O)(=O)C(C)(C)C)nc2)CC1 ZINC000160792433 488793570 /nfs/dbraw/zinc/79/35/70/488793570.db2.gz ANDKJUKHPRKNKP-UHFFFAOYSA-N 1 0 354.476 0.985 20 70 FCIDRO COCCC1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000161063769 488794721 /nfs/dbraw/zinc/79/47/21/488794721.db2.gz JDVKHNFFIYJXOK-HNNXBMFYSA-N 1 0 352.479 0.751 20 70 FCIDRO CCCN(C)S(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000161246565 488795689 /nfs/dbraw/zinc/79/56/89/488795689.db2.gz JWVUEDGSAYIWGN-UHFFFAOYSA-N 1 0 354.520 0.980 20 70 FCIDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000161247229 488795719 /nfs/dbraw/zinc/79/57/19/488795719.db2.gz TXDXBIWTPCXYLD-HZPDHXFCSA-N 1 0 360.524 0.054 20 70 FCIDRO C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)c2)CC1 ZINC000161507255 488797505 /nfs/dbraw/zinc/79/75/05/488797505.db2.gz AAMWGHFPTHONKM-SJORKVTESA-N 1 0 360.458 0.197 20 70 FCIDRO Cc1c(C(=O)N2CC[NH+](CC(C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000159914476 533753422 /nfs/dbraw/zinc/75/34/22/533753422.db2.gz YSZUUXZXYLYXSI-UHFFFAOYSA-N 1 0 373.457 0.354 20 70 FCIDRO CC[N@@H+]1CCCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000159694940 547348296 /nfs/dbraw/zinc/34/82/96/547348296.db2.gz SEQUOBYQFIFWNB-UHFFFAOYSA-N 1 0 350.467 0.508 20 70 FCIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000159520785 547348752 /nfs/dbraw/zinc/34/87/52/547348752.db2.gz CJOZQHUOTNZFTP-OAHLLOKOSA-N 1 0 360.524 0.688 20 70 FCIDRO CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000160288377 547383343 /nfs/dbraw/zinc/38/33/43/547383343.db2.gz AADWYJKDBRNYDC-UHFFFAOYSA-N 1 0 350.400 0.545 20 70 FCIDRO C[NH2+][C@H]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000160653134 533030655 /nfs/dbraw/zinc/03/06/55/533030655.db2.gz BQCGWGLWVTVKMN-JTQLQIEISA-N 1 0 366.215 0.865 20 70 FCIDRO O=C(CNC(=O)NCc1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160645439 229196618 /nfs/dbraw/zinc/19/66/18/229196618.db2.gz WPOSVIVFMWGQOM-MRXNPFEDSA-N 1 0 366.437 0.588 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000161306556 229198144 /nfs/dbraw/zinc/19/81/44/229198144.db2.gz IFLMGEXHOUBDDH-UHFFFAOYSA-N 1 0 352.403 0.526 20 70 FCIDRO O=C(c1ccc2ncc(I)n2c1)N1CC[NH2+]CC1 ZINC000159362758 488784541 /nfs/dbraw/zinc/78/45/41/488784541.db2.gz BIMZOOCBZJTXBK-UHFFFAOYSA-N 1 0 356.167 0.984 20 70 FCIDRO C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159366481 488784678 /nfs/dbraw/zinc/78/46/78/488784678.db2.gz IQSMNYKYRYFPQS-YVEFUNNKSA-N 1 0 362.455 0.326 20 70 FCIDRO COCCCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000159436143 488785113 /nfs/dbraw/zinc/78/51/13/488785113.db2.gz XFRPGZPHDOTQQS-OAHLLOKOSA-N 1 0 365.478 0.952 20 70 FCIDRO C[C@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)C[NH+]1CCN(C)CC1 ZINC000159431982 488785173 /nfs/dbraw/zinc/78/51/73/488785173.db2.gz WBZPMZJNGBUILB-HZPDHXFCSA-N 1 0 364.494 0.925 20 70 FCIDRO CN(Cc1nnc2n1c1ccsc1c(=O)n2C)CC(C)(CO)CO ZINC000159554662 488786175 /nfs/dbraw/zinc/78/61/75/488786175.db2.gz SPDQJURQRSTBQP-UHFFFAOYSA-N 1 0 351.432 0.065 20 70 FCIDRO CCC[C@@H]1CN(C(=O)NCCCN2CCOCC2)CC[N@@H+]1CCOC ZINC000159654087 488787031 /nfs/dbraw/zinc/78/70/31/488787031.db2.gz LASBVLJFFJMESB-QGZVFWFLSA-N 1 0 356.511 0.851 20 70 FCIDRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000160011915 488788890 /nfs/dbraw/zinc/78/88/90/488788890.db2.gz WBZHLEBGSWRZFK-LLVKDONJSA-N 1 0 371.425 0.801 20 70 FCIDRO [NH3+][C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000160202282 488789705 /nfs/dbraw/zinc/78/97/05/488789705.db2.gz FRXDRVYDLSBLSU-GFCCVEGCSA-N 1 0 373.425 0.925 20 70 FCIDRO Cc1c(NC(=O)C(=O)N[C@@H](C)CN2CCOCC2)cnn1-c1ccccc1 ZINC000160188070 488789734 /nfs/dbraw/zinc/78/97/34/488789734.db2.gz GUTAPRKNPARBQG-AWEZNQCLSA-N 1 0 371.441 0.956 20 70 FCIDRO CN1CCN([C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000160488741 488791555 /nfs/dbraw/zinc/79/15/55/488791555.db2.gz OLOIWAJHAKDDIL-WOJBJXKFSA-N 1 0 374.529 0.938 20 70 FCIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160641583 488792858 /nfs/dbraw/zinc/79/28/58/488792858.db2.gz FDWMLKPXQMNZPV-LJQANCHMSA-N 1 0 361.486 0.708 20 70 FCIDRO COCCNC(=O)Cn1cc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000160714417 488793105 /nfs/dbraw/zinc/79/31/05/488793105.db2.gz DJCLPRSMYJAVBN-KBPBESRZSA-N 1 0 351.451 0.610 20 70 FCIDRO COCCNC(=O)Cn1cc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000160714558 488793252 /nfs/dbraw/zinc/79/32/52/488793252.db2.gz DJCLPRSMYJAVBN-KGLIPLIRSA-N 1 0 351.451 0.610 20 70 FCIDRO CCCc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n2ncnc2n1 ZINC000160798107 488793509 /nfs/dbraw/zinc/79/35/09/488793509.db2.gz QLARDCRKORHTEH-OAHLLOKOSA-N 1 0 357.462 0.995 20 70 FCIDRO CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@@H]([NH2+]C)C3)cc(C(C)C)nc21 ZINC000160751130 488793600 /nfs/dbraw/zinc/79/36/00/488793600.db2.gz HRNLVUSEIHLTRC-LLVKDONJSA-N 1 0 359.430 0.662 20 70 FCIDRO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000160827649 488793605 /nfs/dbraw/zinc/79/36/05/488793605.db2.gz HUGVFJJYEXGBQU-LSDHHAIUSA-N 1 0 362.478 0.867 20 70 FCIDRO CC(C)CCn1ccc(NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)n1 ZINC000160982192 488794474 /nfs/dbraw/zinc/79/44/74/488794474.db2.gz UJIIRIRNWGYNCN-UHFFFAOYSA-N 1 0 365.478 0.688 20 70 FCIDRO Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)CC2)c1 ZINC000161364347 488796443 /nfs/dbraw/zinc/79/64/43/488796443.db2.gz VJNSMDOYBUYHMD-MSOLQXFVSA-N 1 0 374.485 0.656 20 70 FCIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000161008131 527963654 /nfs/dbraw/zinc/96/36/54/527963654.db2.gz SOGSCPSNNGJLCL-MSOLQXFVSA-N 1 0 370.538 0.831 20 70 FCIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000159734912 529026991 /nfs/dbraw/zinc/02/69/91/529026991.db2.gz HBVXRGOVXIEDJI-KRWDZBQOSA-N 1 0 356.536 0.932 20 70 FCIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000159520642 547348370 /nfs/dbraw/zinc/34/83/70/547348370.db2.gz CJOZQHUOTNZFTP-HNNXBMFYSA-N 1 0 360.524 0.688 20 70 FCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000161300206 229197390 /nfs/dbraw/zinc/19/73/90/229197390.db2.gz QSAJSOHUAHZNKP-UHFFFAOYSA-N 1 0 356.488 0.737 20 70 FCIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)C1 ZINC000159443324 488785130 /nfs/dbraw/zinc/78/51/30/488785130.db2.gz KEMMPGWDDYTQPO-OAHLLOKOSA-N 1 0 360.458 0.747 20 70 FCIDRO O=C(Nc1ccc(F)nc1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000159463322 488785236 /nfs/dbraw/zinc/78/52/36/488785236.db2.gz IDIKXOVAQFZCFI-CYBMUJFWSA-N 1 0 350.394 0.730 20 70 FCIDRO C[C@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)CN1CCOCC1 ZINC000160433715 488791785 /nfs/dbraw/zinc/79/17/85/488791785.db2.gz RYDHYTOHUKSMAV-QGZVFWFLSA-N 1 0 355.527 0.282 20 70 FCIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1 ZINC000160518073 488792028 /nfs/dbraw/zinc/79/20/28/488792028.db2.gz RXYXFBQQWKWSPR-MRXNPFEDSA-N 1 0 368.441 0.646 20 70 FCIDRO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC[C@@H]1CC[N@H+](C)C1)C2=O ZINC000160656393 488792878 /nfs/dbraw/zinc/79/28/78/488792878.db2.gz FMUOGMFFUFRWPV-MCIONIFRSA-N 1 0 350.463 0.801 20 70 FCIDRO COCCNC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cn1 ZINC000160716184 488793118 /nfs/dbraw/zinc/79/31/18/488793118.db2.gz JGUJUFUXERFVNY-HNNXBMFYSA-N 1 0 365.821 0.938 20 70 FCIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1 ZINC000160776391 488793705 /nfs/dbraw/zinc/79/37/05/488793705.db2.gz BAFPUEUXDUTUKL-AWEZNQCLSA-N 1 0 365.478 0.716 20 70 FCIDRO CN1CCN(C(=O)[C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000161000831 488794829 /nfs/dbraw/zinc/79/48/29/488794829.db2.gz RJOKATHGDHFYFC-CABCVRRESA-N 1 0 354.520 0.189 20 70 FCIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@@H](C)C1 ZINC000161378016 488796258 /nfs/dbraw/zinc/79/62/58/488796258.db2.gz CDBWWYIEWATMTG-FZMZJTMJSA-N 1 0 359.430 0.091 20 70 FCIDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)F)nn3)CC[C@H]2C1 ZINC001164852859 720878062 /nfs/dbraw/zinc/87/80/62/720878062.db2.gz ACJYDLGMMKFUPF-STQMWFEESA-N 1 0 374.438 0.308 20 70 FCIDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(S(=O)(=O)F)ccn3)CC[C@@H]2C1 ZINC001164853363 720891484 /nfs/dbraw/zinc/89/14/84/720891484.db2.gz CBWRNHCQFFTVTA-HIFRSBDPSA-N 1 0 373.450 0.913 20 70 FCIDRO Cc1c(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cnn1-c1ccccc1F ZINC000160139182 229196754 /nfs/dbraw/zinc/19/67/54/229196754.db2.gz OGUQYIVYZQGLSY-GFCCVEGCSA-N 1 0 363.393 0.297 20 70 FCIDRO C[C@H]1Cc2cc(S(=O)(=O)NCC3CC[NH+](CCO)CC3)ccc2O1 ZINC000161396633 229198036 /nfs/dbraw/zinc/19/80/36/229198036.db2.gz KHJYOJOINKIHTL-ZDUSSCGKSA-N 1 0 354.472 0.993 20 70 FCIDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159550114 488785550 /nfs/dbraw/zinc/78/55/50/488785550.db2.gz UFLVDTXIKOVLHO-UHFFFAOYSA-N 1 0 351.476 0.635 20 70 FCIDRO CCN(C1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1)S(C)(=O)=O ZINC000159530881 488785783 /nfs/dbraw/zinc/78/57/83/488785783.db2.gz SPMOXWZCBDEWFQ-INIZCTEOSA-N 1 0 353.488 0.829 20 70 FCIDRO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159646850 488786460 /nfs/dbraw/zinc/78/64/60/488786460.db2.gz BQEHTPPETXVEQC-HNNXBMFYSA-N 1 0 351.451 0.745 20 70 FCIDRO CCC[C@H]1CN(C(=O)NCCCN2CCOCC2)CC[N@@H+]1CCOC ZINC000159654240 488786775 /nfs/dbraw/zinc/78/67/75/488786775.db2.gz LASBVLJFFJMESB-KRWDZBQOSA-N 1 0 356.511 0.851 20 70 FCIDRO Cn1c(=O)c2cc(C(=O)N3CCC([NH2+]CC4CC4)CC3)cnc2n(C)c1=O ZINC000159755016 488787579 /nfs/dbraw/zinc/78/75/79/488787579.db2.gz YTJVWMYYTGPUGP-UHFFFAOYSA-N 1 0 371.441 0.236 20 70 FCIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000159906131 488787907 /nfs/dbraw/zinc/78/79/07/488787907.db2.gz BYPUCGWTUYMAPR-GFCCVEGCSA-N 1 0 359.430 0.155 20 70 FCIDRO CC[C@H](C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)[NH+](C)C ZINC000159966048 488788612 /nfs/dbraw/zinc/78/86/12/488788612.db2.gz AHDPKOBXGQXXFE-VNHYZAJKSA-N 1 0 351.451 0.798 20 70 FCIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000160012915 488789104 /nfs/dbraw/zinc/78/91/04/488789104.db2.gz PIJQUOVCVIBKNG-OIISXLGYSA-N 1 0 357.458 0.926 20 70 FCIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000160542435 488791976 /nfs/dbraw/zinc/79/19/76/488791976.db2.gz FXMXEJWMEFEVKL-UHFFFAOYSA-N 1 0 374.416 0.806 20 70 FCIDRO O=C(CCn1nnc2ccccc2c1=O)NCC1CC[NH+](CCO)CC1 ZINC000160715487 488793152 /nfs/dbraw/zinc/79/31/52/488793152.db2.gz CKHDXKFVRWBOBF-UHFFFAOYSA-N 1 0 359.430 0.002 20 70 FCIDRO COCCNC(=O)Cn1cc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cn1 ZINC000160715475 488793289 /nfs/dbraw/zinc/79/32/89/488793289.db2.gz ZKHZRFSYDYNOMF-CYBMUJFWSA-N 1 0 351.451 0.610 20 70 FCIDRO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000160754532 488793744 /nfs/dbraw/zinc/79/37/44/488793744.db2.gz PZLHHSPZBIHZIR-OAHLLOKOSA-N 1 0 354.458 0.909 20 70 FCIDRO NC(=O)[C@H]1CC[C@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000161116585 488795112 /nfs/dbraw/zinc/79/51/12/488795112.db2.gz SWKWRHFGDQOXHG-QZTJIDSGSA-N 1 0 374.485 0.738 20 70 FCIDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000161288685 488795703 /nfs/dbraw/zinc/79/57/03/488795703.db2.gz CRIGQYRVZNJVBB-OAHLLOKOSA-N 1 0 372.512 0.925 20 70 FCIDRO CCC(CC)(C[NH3+])C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000161282688 488795726 /nfs/dbraw/zinc/79/57/26/488795726.db2.gz CBZJGHVHPRUHAR-HNNXBMFYSA-N 1 0 354.495 0.143 20 70 FCIDRO Cc1c(C(=O)N[C@H](C)C[NH+]2CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000161430680 488796810 /nfs/dbraw/zinc/79/68/10/488796810.db2.gz LSYLADAGJSYQFU-GFCCVEGCSA-N 1 0 373.457 0.545 20 70 FCIDRO CC(C)(C)C(=O)N1CCC(C[N@H+](CCO)CCN2CCOCC2)CC1 ZINC000159995873 547352134 /nfs/dbraw/zinc/35/21/34/547352134.db2.gz LZPJFBMCKFUAAO-UHFFFAOYSA-N 1 0 355.523 0.898 20 70 FCIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000160139318 229196940 /nfs/dbraw/zinc/19/69/40/229196940.db2.gz YFFLMYGEPNAHQT-AWEZNQCLSA-N 1 0 359.430 0.466 20 70 FCIDRO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000160139447 229197460 /nfs/dbraw/zinc/19/74/60/229197460.db2.gz YFFLMYGEPNAHQT-CQSZACIVSA-N 1 0 359.430 0.466 20 70 FCIDRO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160419431 229197612 /nfs/dbraw/zinc/19/76/12/229197612.db2.gz GSGOZPITSACAOB-IYBDPMFKSA-N 1 0 374.485 0.956 20 70 FCIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)C1 ZINC000159443455 488785123 /nfs/dbraw/zinc/78/51/23/488785123.db2.gz KEMMPGWDDYTQPO-HNNXBMFYSA-N 1 0 360.458 0.747 20 70 FCIDRO Cc1nc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c(=O)[nH]c1C ZINC000159510839 488785867 /nfs/dbraw/zinc/78/58/67/488785867.db2.gz IZUHNWARZIBKBP-UHFFFAOYSA-N 1 0 356.430 0.464 20 70 FCIDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ncccc1F ZINC000159841023 488787884 /nfs/dbraw/zinc/78/78/84/488787884.db2.gz QVCSFNFIWFMZFZ-HNNXBMFYSA-N 1 0 351.426 0.963 20 70 FCIDRO C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCC(C)(C)[NH3+])n(C)c2)C1 ZINC000160024942 488788821 /nfs/dbraw/zinc/78/88/21/488788821.db2.gz YNUOKKYDVSVPGD-LBPRGKRZSA-N 1 0 356.492 0.913 20 70 FCIDRO C[N@H+](C[C@H](O)CN1CCOCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160086228 488789580 /nfs/dbraw/zinc/78/95/80/488789580.db2.gz CLOCKGVDSPLPKR-KRWDZBQOSA-N 1 0 355.523 0.896 20 70 FCIDRO Cc1conc1NC(=O)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000160172395 488789693 /nfs/dbraw/zinc/78/96/93/488789693.db2.gz QMPLXYKBLBLTBE-OAHLLOKOSA-N 1 0 358.398 0.457 20 70 FCIDRO CCNC(=O)CN(CC)[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000160203500 488789810 /nfs/dbraw/zinc/78/98/10/488789810.db2.gz YLLBGVHZPUMOAN-CQSZACIVSA-N 1 0 364.446 0.411 20 70 FCIDRO NC(=O)[C@H]1CC[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)O1 ZINC000160246110 488790221 /nfs/dbraw/zinc/79/02/21/488790221.db2.gz WIAJUJCSQCWJMR-VNHYZAJKSA-N 1 0 350.419 0.749 20 70 FCIDRO NC(=O)[C@H]1CC[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)O1 ZINC000160245971 488790289 /nfs/dbraw/zinc/79/02/89/488790289.db2.gz WIAJUJCSQCWJMR-UMVBOHGHSA-N 1 0 350.419 0.749 20 70 FCIDRO CCC[C@@H]1CN(C(=O)N[C@@H](C)CN2CCOCC2)CC[N@@H+]1CCOC ZINC000160325258 488790547 /nfs/dbraw/zinc/79/05/47/488790547.db2.gz RBHPQTREKGGGAW-DLBZAZTESA-N 1 0 356.511 0.849 20 70 FCIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000160639921 488792501 /nfs/dbraw/zinc/79/25/01/488792501.db2.gz XYKIVANFJLUQLO-JKSUJKDBSA-N 1 0 350.463 0.504 20 70 FCIDRO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160668911 488793135 /nfs/dbraw/zinc/79/31/35/488793135.db2.gz ZPVCFJJMJIHWDQ-CQSZACIVSA-N 1 0 374.441 0.043 20 70 FCIDRO Cc1ccc(CCC(=O)NCC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160703006 488793175 /nfs/dbraw/zinc/79/31/75/488793175.db2.gz VDQNTRMSEAHMDC-UHFFFAOYSA-N 1 0 361.486 0.864 20 70 FCIDRO COCCNC(=O)Cn1cc(NC(=O)c2cccn2C2CC[NH2+]CC2)cn1 ZINC000160714701 488793293 /nfs/dbraw/zinc/79/32/93/488793293.db2.gz FTQRWOAENUUJLX-UHFFFAOYSA-N 1 0 374.445 0.624 20 70 FCIDRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000160827793 488793820 /nfs/dbraw/zinc/79/38/20/488793820.db2.gz HUGVFJJYEXGBQU-GJZGRUSLSA-N 1 0 362.478 0.867 20 70 FCIDRO CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160838640 488793837 /nfs/dbraw/zinc/79/38/37/488793837.db2.gz YEPKRKUAWUGUIE-CQSZACIVSA-N 1 0 358.508 0.680 20 70 FCIDRO Cn1cc(N2CCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CC2=O)cn1 ZINC000161024170 488794456 /nfs/dbraw/zinc/79/44/56/488794456.db2.gz FOVWYIOWSBYBLN-UHFFFAOYSA-N 1 0 367.453 0.917 20 70 FCIDRO NC(=O)NC1(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000160996090 488794859 /nfs/dbraw/zinc/79/48/59/488794859.db2.gz HKGNGMVISLGSBQ-UHFFFAOYSA-N 1 0 359.474 0.906 20 70 FCIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000161469006 488797463 /nfs/dbraw/zinc/79/74/63/488797463.db2.gz LVQJENVFXXBYBY-OAHLLOKOSA-N 1 0 356.423 0.602 20 70 FCIDRO Cc1c(C(=O)NCC(C)(C)C[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000159909334 533781221 /nfs/dbraw/zinc/78/12/21/533781221.db2.gz IQYNNVCBDGCHCI-UHFFFAOYSA-N 1 0 361.446 0.258 20 70 FCIDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000161388844 527966070 /nfs/dbraw/zinc/96/60/70/527966070.db2.gz SUIAAVAQXRCKJK-SDDRHHMPSA-N 1 0 351.369 0.359 20 70 FCIDRO