smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000021009057 333412046 /nfs/dbraw/zinc/41/20/46/333412046.db2.gz YNFQDZBBGSOGGL-NEPJUHHUSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000021009058 333412175 /nfs/dbraw/zinc/41/21/75/333412175.db2.gz YNFQDZBBGSOGGL-RYUDHWBXSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000021009060 333412258 /nfs/dbraw/zinc/41/22/58/333412258.db2.gz YNFQDZBBGSOGGL-NWDGAFQWSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000021799126 182290846 /nfs/dbraw/zinc/29/08/46/182290846.db2.gz RPUJFOAUDJVGNT-NEPJUHHUSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000021799130 182290625 /nfs/dbraw/zinc/29/06/25/182290625.db2.gz RPUJFOAUDJVGNT-RYUDHWBXSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000021799133 182290385 /nfs/dbraw/zinc/29/03/85/182290385.db2.gz RPUJFOAUDJVGNT-VXGBXAGGSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000021799137 182290807 /nfs/dbraw/zinc/29/08/07/182290807.db2.gz RPUJFOAUDJVGNT-NWDGAFQWSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 ZINC000036991836 340729411 /nfs/dbraw/zinc/72/94/11/340729411.db2.gz DGXHVGVHVRCKRD-RYUDHWBXSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 ZINC000036991837 340729498 /nfs/dbraw/zinc/72/94/98/340729498.db2.gz DGXHVGVHVRCKRD-NEPJUHHUSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 ZINC000037220683 340775045 /nfs/dbraw/zinc/77/50/45/340775045.db2.gz BDPYDSDDHHMMKF-RYUDHWBXSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000037220687 340775053 /nfs/dbraw/zinc/77/50/53/340775053.db2.gz BDPYDSDDHHMMKF-NWDGAFQWSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 ZINC000037220690 340775019 /nfs/dbraw/zinc/77/50/19/340775019.db2.gz BDPYDSDDHHMMKF-VXGBXAGGSA-N 1 0 319.235 5.277 20 30 DKEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000037748833 340786401 /nfs/dbraw/zinc/78/64/01/340786401.db2.gz HWXJUURWRQULFI-KRWDZBQOSA-N 1 0 319.235 5.106 20 30 DKEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000037748834 340786502 /nfs/dbraw/zinc/78/65/02/340786502.db2.gz HWXJUURWRQULFI-QGZVFWFLSA-N 1 0 319.235 5.106 20 30 DKEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000037748881 340786477 /nfs/dbraw/zinc/78/64/77/340786477.db2.gz HRUHKZQPKJAWNU-KRWDZBQOSA-N 1 0 319.235 5.106 20 30 DKEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000037748882 340786479 /nfs/dbraw/zinc/78/64/79/340786479.db2.gz HRUHKZQPKJAWNU-QGZVFWFLSA-N 1 0 319.235 5.106 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000074335969 341144115 /nfs/dbraw/zinc/14/41/15/341144115.db2.gz PDQRPFQNCQUTAM-HOTGVXAUSA-N 1 0 300.405 5.123 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000074335973 341144134 /nfs/dbraw/zinc/14/41/34/341144134.db2.gz PDQRPFQNCQUTAM-CVEARBPZSA-N 1 0 300.405 5.123 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000074335975 341144130 /nfs/dbraw/zinc/14/41/30/341144130.db2.gz PDQRPFQNCQUTAM-JKSUJKDBSA-N 1 0 300.405 5.123 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000074335982 341144045 /nfs/dbraw/zinc/14/40/45/341144045.db2.gz PDQRPFQNCQUTAM-HZPDHXFCSA-N 1 0 300.405 5.123 20 30 DKEDRO C[N@H+](CCCC(C)(C)C#N)C1c2ccccc2-c2ccccc21 ZINC000081596790 341298275 /nfs/dbraw/zinc/29/82/75/341298275.db2.gz REWVUBMDQWWLCT-UHFFFAOYSA-N 1 0 304.437 5.018 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H]1CCCc2nc(C)sc21)c1ccccc1 ZINC000090580701 337882698 /nfs/dbraw/zinc/88/26/98/337882698.db2.gz WCPHPRNTFLOWOR-FUHWJXTLSA-N 1 0 312.482 5.126 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1ccccc1 ZINC000090580703 337882738 /nfs/dbraw/zinc/88/27/38/337882738.db2.gz WCPHPRNTFLOWOR-WMZOPIPTSA-N 1 0 312.482 5.126 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCc2nc(C)sc21)c1ccccc1 ZINC000090580704 337882784 /nfs/dbraw/zinc/88/27/84/337882784.db2.gz WCPHPRNTFLOWOR-SJLPKXTDSA-N 1 0 312.482 5.126 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1ccccc1 ZINC000090580706 337882713 /nfs/dbraw/zinc/88/27/13/337882713.db2.gz WCPHPRNTFLOWOR-AEFFLSMTSA-N 1 0 312.482 5.126 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000090580750 334950208 /nfs/dbraw/zinc/95/02/08/334950208.db2.gz KIIAPOVPBGRLHD-KKSFZXQISA-N 1 0 322.452 5.003 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000090580751 334950125 /nfs/dbraw/zinc/95/01/25/334950125.db2.gz KIIAPOVPBGRLHD-IERDGZPVSA-N 1 0 322.452 5.003 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000090580754 334950223 /nfs/dbraw/zinc/95/02/23/334950223.db2.gz KIIAPOVPBGRLHD-HRAATJIYSA-N 1 0 322.452 5.003 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000090580755 334950229 /nfs/dbraw/zinc/95/02/29/334950229.db2.gz KIIAPOVPBGRLHD-IIBYNOLFSA-N 1 0 322.452 5.003 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000090664543 332092206 /nfs/dbraw/zinc/09/22/06/332092206.db2.gz UKQJGDUJGWILJC-JSGCOSHPSA-N 1 0 304.846 5.097 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000090664545 332092274 /nfs/dbraw/zinc/09/22/74/332092274.db2.gz UKQJGDUJGWILJC-OCCSQVGLSA-N 1 0 304.846 5.097 20 30 DKEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000090664547 332092243 /nfs/dbraw/zinc/09/22/43/332092243.db2.gz UKQJGDUJGWILJC-GXTWGEPZSA-N 1 0 304.846 5.097 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000090664550 332092255 /nfs/dbraw/zinc/09/22/55/332092255.db2.gz UKQJGDUJGWILJC-TZMCWYRMSA-N 1 0 304.846 5.097 20 30 DKEDRO CCSc1ccccc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090664721 337883932 /nfs/dbraw/zinc/88/39/32/337883932.db2.gz NRVPSTWCRQWPHV-LPHOPBHVSA-N 1 0 324.493 5.494 20 30 DKEDRO CCSc1ccccc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090664724 337883816 /nfs/dbraw/zinc/88/38/16/337883816.db2.gz NRVPSTWCRQWPHV-QFBILLFUSA-N 1 0 324.493 5.494 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000090664898 337883926 /nfs/dbraw/zinc/88/39/26/337883926.db2.gz KJNOOYKOOUMJMQ-FZKQIMNGSA-N 1 0 316.807 5.175 20 30 DKEDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000090665038 337883803 /nfs/dbraw/zinc/88/38/03/337883803.db2.gz YUHKEQQMBFXXLR-LAUBAEHRSA-N 1 0 322.452 5.169 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(C)ccc1OC ZINC000090665148 337883812 /nfs/dbraw/zinc/88/38/12/337883812.db2.gz WDESSFVDQZWPRJ-UXHICEINSA-N 1 0 322.452 5.089 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(C)ccc1OC ZINC000090665150 337883820 /nfs/dbraw/zinc/88/38/20/337883820.db2.gz WDESSFVDQZWPRJ-WOJBJXKFSA-N 1 0 322.452 5.089 20 30 DKEDRO CSc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665225 332092170 /nfs/dbraw/zinc/09/21/70/332092170.db2.gz FIARHEJDWPRALN-KXBFYZLASA-N 1 0 310.466 5.104 20 30 DKEDRO CSc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665226 332092000 /nfs/dbraw/zinc/09/20/00/332092000.db2.gz FIARHEJDWPRALN-BEFAXECRSA-N 1 0 310.466 5.104 20 30 DKEDRO CSc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000090665227 332091976 /nfs/dbraw/zinc/09/19/76/332091976.db2.gz FIARHEJDWPRALN-HNAYVOBHSA-N 1 0 310.466 5.104 20 30 DKEDRO CSc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000090665228 332092248 /nfs/dbraw/zinc/09/22/48/332092248.db2.gz FIARHEJDWPRALN-DNVCBOLYSA-N 1 0 310.466 5.104 20 30 DKEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665256 337883928 /nfs/dbraw/zinc/88/39/28/337883928.db2.gz GTIAEBHWVBXECV-LPHOPBHVSA-N 1 0 318.420 5.437 20 30 DKEDRO CCC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090665389 337883805 /nfs/dbraw/zinc/88/38/05/337883805.db2.gz PDLHHQYJNHGLEB-SFTDATJTSA-N 1 0 322.452 5.171 20 30 DKEDRO CCC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090665390 337883934 /nfs/dbraw/zinc/88/39/34/337883934.db2.gz PDLHHQYJNHGLEB-RTWAWAEBSA-N 1 0 322.452 5.171 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000090665429 332092181 /nfs/dbraw/zinc/09/21/81/332092181.db2.gz FPROJCJMDUVDPD-YJBOKZPZSA-N 1 0 304.393 5.128 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000090665430 332092191 /nfs/dbraw/zinc/09/21/91/332092191.db2.gz FPROJCJMDUVDPD-QAPCUYQASA-N 1 0 304.393 5.128 20 30 DKEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000090665431 332091980 /nfs/dbraw/zinc/09/19/80/332091980.db2.gz FPROJCJMDUVDPD-MAUKXSAKSA-N 1 0 304.393 5.128 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000090665432 332092338 /nfs/dbraw/zinc/09/23/38/332092338.db2.gz FPROJCJMDUVDPD-CRAIPNDOSA-N 1 0 304.393 5.128 20 30 DKEDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665683 337884051 /nfs/dbraw/zinc/88/40/51/337884051.db2.gz WYYDKHJKBASRAL-LSTHTHJFSA-N 1 0 304.437 5.178 20 30 DKEDRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665684 337884020 /nfs/dbraw/zinc/88/40/20/337884020.db2.gz WYYDKHJKBASRAL-FFZOFVMBSA-N 1 0 304.437 5.178 20 30 DKEDRO CCC(CC)([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000110334086 333576305 /nfs/dbraw/zinc/57/63/05/333576305.db2.gz ORWFIRZZJARSPB-UHFFFAOYSA-N 1 0 312.844 5.017 20 30 DKEDRO CC(C)(CCC#N)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000120091512 337870241 /nfs/dbraw/zinc/87/02/41/337870241.db2.gz TWKUOKDAXJDZRJ-UHFFFAOYSA-N 1 0 318.511 5.142 20 30 DKEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000124609862 340799991 /nfs/dbraw/zinc/79/99/91/340799991.db2.gz SMZOGNYOIUCIIH-LSDHHAIUSA-N 1 0 304.393 5.025 20 30 DKEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000124610048 340799959 /nfs/dbraw/zinc/79/99/59/340799959.db2.gz SMZOGNYOIUCIIH-GJZGRUSLSA-N 1 0 304.393 5.025 20 30 DKEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000124610259 340800015 /nfs/dbraw/zinc/80/00/15/340800015.db2.gz SMZOGNYOIUCIIH-HUUCEWRRSA-N 1 0 304.393 5.025 20 30 DKEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000124610523 332233336 /nfs/dbraw/zinc/23/33/36/332233336.db2.gz SMZOGNYOIUCIIH-CABCVRRESA-N 1 0 304.393 5.025 20 30 DKEDRO C[C@@H]([NH2+][C@@H]1CCCc2sc(Cl)cc21)c1ccc(C#N)cc1 ZINC000127688188 340855156 /nfs/dbraw/zinc/85/51/56/340855156.db2.gz RQRNZBVHOQENKF-IAQYHMDHSA-N 1 0 316.857 5.001 20 30 DKEDRO C[C@H]([NH2+][C@H]1CCCc2sc(Cl)cc21)c1ccc(C#N)cc1 ZINC000127688387 340855145 /nfs/dbraw/zinc/85/51/45/340855145.db2.gz RQRNZBVHOQENKF-NHYWBVRUSA-N 1 0 316.857 5.001 20 30 DKEDRO C[C@@H]([NH2+][C@H]1CCCc2sc(Cl)cc21)c1ccc(C#N)cc1 ZINC000127688628 340855080 /nfs/dbraw/zinc/85/50/80/340855080.db2.gz RQRNZBVHOQENKF-ABAIWWIYSA-N 1 0 316.857 5.001 20 30 DKEDRO N#CCC[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000130461122 341022307 /nfs/dbraw/zinc/02/23/07/341022307.db2.gz BSZZDVSCALNBMG-QGZVFWFLSA-N 1 0 319.235 5.128 20 30 DKEDRO N#CCC[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000130461312 341022322 /nfs/dbraw/zinc/02/23/22/341022322.db2.gz BSZZDVSCALNBMG-KRWDZBQOSA-N 1 0 319.235 5.128 20 30 DKEDRO N#CCC[C@@H]([NH2+]Cc1csc2ccccc12)c1ccccc1 ZINC000130483548 341022875 /nfs/dbraw/zinc/02/28/75/341022875.db2.gz JBEFCPLACCBJGP-GOSISDBHSA-N 1 0 306.434 5.036 20 30 DKEDRO N#CCC[C@H]([NH2+]Cc1csc2ccccc12)c1ccccc1 ZINC000130483748 341022960 /nfs/dbraw/zinc/02/29/60/341022960.db2.gz JBEFCPLACCBJGP-SFHVURJKSA-N 1 0 306.434 5.036 20 30 DKEDRO N#CCC[C@@H](NCc1cccc(Cl)c1Cl)c1ccccc1 ZINC000130511642 341025199 /nfs/dbraw/zinc/02/51/99/341025199.db2.gz IMMROYLRYICYSB-MRXNPFEDSA-N 1 0 319.235 5.128 20 30 DKEDRO N#CCC[C@H](NCc1cccc(Cl)c1Cl)c1ccccc1 ZINC000130511847 341025252 /nfs/dbraw/zinc/02/52/52/341025252.db2.gz IMMROYLRYICYSB-INIZCTEOSA-N 1 0 319.235 5.128 20 30 DKEDRO N#CCC[C@@H]([NH2+]Cc1cc2ccccc2s1)c1ccccc1 ZINC000130558289 341027801 /nfs/dbraw/zinc/02/78/01/341027801.db2.gz HWZNGDHTQJFMHB-GOSISDBHSA-N 1 0 306.434 5.036 20 30 DKEDRO N#CCC[C@H]([NH2+]Cc1cc2ccccc2s1)c1ccccc1 ZINC000130558527 341027824 /nfs/dbraw/zinc/02/78/24/341027824.db2.gz HWZNGDHTQJFMHB-SFHVURJKSA-N 1 0 306.434 5.036 20 30 DKEDRO N#CCC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000130595132 341030810 /nfs/dbraw/zinc/03/08/10/341030810.db2.gz CXQYCCPZHPYOIP-QGZVFWFLSA-N 1 0 319.235 5.128 20 30 DKEDRO N#CCC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000130595331 341030730 /nfs/dbraw/zinc/03/07/30/341030730.db2.gz CXQYCCPZHPYOIP-KRWDZBQOSA-N 1 0 319.235 5.128 20 30 DKEDRO CCSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000154327941 341588196 /nfs/dbraw/zinc/58/81/96/341588196.db2.gz JUIRLYRXBXWLQD-HUUCEWRRSA-N 1 0 310.466 5.082 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1ccccc1 ZINC000158839098 341664978 /nfs/dbraw/zinc/66/49/78/341664978.db2.gz WYRLLQCENJYBOO-HXUWFJFHSA-N 1 0 302.421 5.032 20 30 DKEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000174853309 340397737 /nfs/dbraw/zinc/39/77/37/340397737.db2.gz GIBCIYSACXVJJZ-LJQANCHMSA-N 1 0 309.457 5.025 20 30 DKEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000174853320 340397598 /nfs/dbraw/zinc/39/75/98/340397598.db2.gz GIBCIYSACXVJJZ-IBGZPJMESA-N 1 0 309.457 5.025 20 30 DKEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000178176797 340447639 /nfs/dbraw/zinc/44/76/39/340447639.db2.gz JQDTVNLYJCSVIM-GJZGRUSLSA-N 1 0 304.393 5.025 20 30 DKEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000178176806 340447553 /nfs/dbraw/zinc/44/75/53/340447553.db2.gz JQDTVNLYJCSVIM-HUUCEWRRSA-N 1 0 304.393 5.025 20 30 DKEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000178176819 340447538 /nfs/dbraw/zinc/44/75/38/340447538.db2.gz JQDTVNLYJCSVIM-CABCVRRESA-N 1 0 304.393 5.025 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000181507410 337182707 /nfs/dbraw/zinc/18/27/07/337182707.db2.gz KSUNFAOIDKYXIV-PBHICJAKSA-N 1 0 300.471 5.118 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000181507428 337182639 /nfs/dbraw/zinc/18/26/39/337182639.db2.gz KSUNFAOIDKYXIV-YOEHRIQHSA-N 1 0 300.471 5.118 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000181507449 337182761 /nfs/dbraw/zinc/18/27/61/337182761.db2.gz KSUNFAOIDKYXIV-RHSMWYFYSA-N 1 0 300.471 5.118 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000181507467 337182721 /nfs/dbraw/zinc/18/27/21/337182721.db2.gz KSUNFAOIDKYXIV-WMLDXEAASA-N 1 0 300.471 5.118 20 30 DKEDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000181574135 337182950 /nfs/dbraw/zinc/18/29/50/337182950.db2.gz FTGBZRYQHLKTJH-UTKZUKDTSA-N 1 0 322.452 5.171 20 30 DKEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000181574153 337183011 /nfs/dbraw/zinc/18/30/11/337183011.db2.gz FTGBZRYQHLKTJH-UWJYYQICSA-N 1 0 322.452 5.171 20 30 DKEDRO CCCOc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000181574169 337183029 /nfs/dbraw/zinc/18/30/29/337183029.db2.gz FTGBZRYQHLKTJH-DYESRHJHSA-N 1 0 322.452 5.171 20 30 DKEDRO CCCOc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000181574189 337183013 /nfs/dbraw/zinc/18/30/13/337183013.db2.gz FTGBZRYQHLKTJH-LAUBAEHRSA-N 1 0 322.452 5.171 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000181724808 333031404 /nfs/dbraw/zinc/03/14/04/333031404.db2.gz YGJHBQBTJIODSE-KBPBESRZSA-N 1 0 306.434 5.185 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000181724824 333031523 /nfs/dbraw/zinc/03/15/23/333031523.db2.gz YGJHBQBTJIODSE-KGLIPLIRSA-N 1 0 306.434 5.185 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000181724839 333031426 /nfs/dbraw/zinc/03/14/26/333031426.db2.gz YGJHBQBTJIODSE-UONOGXRCSA-N 1 0 306.434 5.185 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000181724859 333031483 /nfs/dbraw/zinc/03/14/83/333031483.db2.gz YGJHBQBTJIODSE-ZIAGYGMSSA-N 1 0 306.434 5.185 20 30 DKEDRO C[C@H]([NH2+]C(c1cccs1)c1cccs1)c1cccc(C#N)c1 ZINC000181980683 337185616 /nfs/dbraw/zinc/18/56/16/337185616.db2.gz KKVYWEWQPFJTBT-ZDUSSCGKSA-N 1 0 324.474 5.121 20 30 DKEDRO C[C@@H]([NH2+]C(c1cccs1)c1cccs1)c1cccc(C#N)c1 ZINC000181980698 337185537 /nfs/dbraw/zinc/18/55/37/337185537.db2.gz KKVYWEWQPFJTBT-CYBMUJFWSA-N 1 0 324.474 5.121 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000182159241 334989195 /nfs/dbraw/zinc/98/91/95/334989195.db2.gz OHVQHFUZZHSMFN-KKSFZXQISA-N 1 0 322.452 5.003 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000182159307 334989239 /nfs/dbraw/zinc/98/92/39/334989239.db2.gz OHVQHFUZZHSMFN-IIBYNOLFSA-N 1 0 322.452 5.003 20 30 DKEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cc2ccccc2o1 ZINC000182646293 336278286 /nfs/dbraw/zinc/27/82/86/336278286.db2.gz QTKMHXNOXGWGQD-HNNXBMFYSA-N 1 0 318.420 5.085 20 30 DKEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cc2ccccc2o1 ZINC000182646308 333044553 /nfs/dbraw/zinc/04/45/53/333044553.db2.gz QTKMHXNOXGWGQD-OAHLLOKOSA-N 1 0 318.420 5.085 20 30 DKEDRO C=C(C)[C@@H]([NH2+][C@H](C)c1sc(C)nc1C)c1ccc(F)c(F)c1 ZINC000186452802 335158149 /nfs/dbraw/zinc/15/81/49/335158149.db2.gz IHRPWESFPNWUJI-BDJLRTHQSA-N 1 0 322.424 5.006 20 30 DKEDRO C=C(C)[C@@H]([NH2+][C@@H](C)c1sc(C)nc1C)c1ccc(F)c(F)c1 ZINC000186452819 335158130 /nfs/dbraw/zinc/15/81/30/335158130.db2.gz IHRPWESFPNWUJI-MEDUHNTESA-N 1 0 322.424 5.006 20 30 DKEDRO C=C(C)[C@H]([NH2+][C@H](C)c1sc(C)nc1C)c1ccc(F)c(F)c1 ZINC000186452835 335157873 /nfs/dbraw/zinc/15/78/73/335157873.db2.gz IHRPWESFPNWUJI-BZNIZROVSA-N 1 0 322.424 5.006 20 30 DKEDRO C=C(C)[C@H]([NH2+][C@@H](C)c1sc(C)nc1C)c1ccc(F)c(F)c1 ZINC000186452845 335157972 /nfs/dbraw/zinc/15/79/72/335157972.db2.gz IHRPWESFPNWUJI-ZBEGNZNMSA-N 1 0 322.424 5.006 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc2ccccc2s1 ZINC000188258701 334670231 /nfs/dbraw/zinc/67/02/31/334670231.db2.gz FLEYJYQVBIGNFF-QAPCUYQASA-N 1 0 320.461 5.597 20 30 DKEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc2ccccc2s1 ZINC000188258724 334670262 /nfs/dbraw/zinc/67/02/62/334670262.db2.gz FLEYJYQVBIGNFF-MAUKXSAKSA-N 1 0 320.461 5.597 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc2ccccc2s1 ZINC000188258752 334670215 /nfs/dbraw/zinc/67/02/15/334670215.db2.gz FLEYJYQVBIGNFF-CRAIPNDOSA-N 1 0 320.461 5.597 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000192755303 336260500 /nfs/dbraw/zinc/26/05/00/336260500.db2.gz PGBIZNCUVLBFRX-HOTGVXAUSA-N 1 0 300.405 5.123 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000192755315 336260564 /nfs/dbraw/zinc/26/05/64/336260564.db2.gz PGBIZNCUVLBFRX-CVEARBPZSA-N 1 0 300.405 5.123 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000192755328 336260560 /nfs/dbraw/zinc/26/05/60/336260560.db2.gz PGBIZNCUVLBFRX-JKSUJKDBSA-N 1 0 300.405 5.123 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000192755344 336260653 /nfs/dbraw/zinc/26/06/53/336260653.db2.gz PGBIZNCUVLBFRX-HZPDHXFCSA-N 1 0 300.405 5.123 20 30 DKEDRO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000192988749 336286577 /nfs/dbraw/zinc/28/65/77/336286577.db2.gz GBDZXFBVRSYNMA-ORAYPTAESA-N 1 0 310.828 5.014 20 30 DKEDRO C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000192988764 336286663 /nfs/dbraw/zinc/28/66/63/336286663.db2.gz GBDZXFBVRSYNMA-BFUOFWGJSA-N 1 0 310.828 5.014 20 30 DKEDRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000192988772 336286548 /nfs/dbraw/zinc/28/65/48/336286548.db2.gz GBDZXFBVRSYNMA-DJJJIMSYSA-N 1 0 310.828 5.014 20 30 DKEDRO C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000192988786 336286615 /nfs/dbraw/zinc/28/66/15/336286615.db2.gz GBDZXFBVRSYNMA-YJYMSZOUSA-N 1 0 310.828 5.014 20 30 DKEDRO C[C@H]([NH2+]C(c1cccs1)c1cccs1)c1ccc(C#N)cc1 ZINC000192988871 336286667 /nfs/dbraw/zinc/28/66/67/336286667.db2.gz JDSSBYJPMNHCMI-ZDUSSCGKSA-N 1 0 324.474 5.121 20 30 DKEDRO C[C@@H]([NH2+]C(c1cccs1)c1cccs1)c1ccc(C#N)cc1 ZINC000192988881 336286552 /nfs/dbraw/zinc/28/65/52/336286552.db2.gz JDSSBYJPMNHCMI-CYBMUJFWSA-N 1 0 324.474 5.121 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1ccccc1 ZINC000193173399 340573453 /nfs/dbraw/zinc/57/34/53/340573453.db2.gz UWFYYFAWRQUJDJ-KRWDZBQOSA-N 1 0 324.449 5.200 20 30 DKEDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000194935180 338782981 /nfs/dbraw/zinc/78/29/81/338782981.db2.gz QWOSDWIHLAGUCN-YJBOKZPZSA-N 1 0 310.466 5.104 20 30 DKEDRO CSc1ccccc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000194935203 338782985 /nfs/dbraw/zinc/78/29/85/338782985.db2.gz QWOSDWIHLAGUCN-MAUKXSAKSA-N 1 0 310.466 5.104 20 30 DKEDRO CSc1ccccc1[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000194935216 338782997 /nfs/dbraw/zinc/78/29/97/338782997.db2.gz QWOSDWIHLAGUCN-CRAIPNDOSA-N 1 0 310.466 5.104 20 30 DKEDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000195613867 338910102 /nfs/dbraw/zinc/91/01/02/338910102.db2.gz GWGVYOBOSIMNLB-MGPUTAFESA-N 1 0 304.437 5.022 20 30 DKEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000195613871 338910128 /nfs/dbraw/zinc/91/01/28/338910128.db2.gz GWGVYOBOSIMNLB-YWZLYKJASA-N 1 0 304.437 5.022 20 30 DKEDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000195614544 338910257 /nfs/dbraw/zinc/91/02/57/338910257.db2.gz AAGPACDQCUUSMF-LIRRHRJNSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000195614546 338910252 /nfs/dbraw/zinc/91/02/52/338910252.db2.gz AAGPACDQCUUSMF-AUUYWEPGSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC000235193005 340657474 /nfs/dbraw/zinc/65/74/74/340657474.db2.gz WMLPZYGMHLSUMV-GFCCVEGCSA-N 1 0 313.272 5.364 20 30 DKEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC000235506718 340660175 /nfs/dbraw/zinc/66/01/75/340660175.db2.gz WMLPZYGMHLSUMV-LBPRGKRZSA-N 1 0 313.272 5.364 20 30 DKEDRO CC(C)CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000236609264 341189164 /nfs/dbraw/zinc/18/91/64/341189164.db2.gz VIQQQVLRPXLUNW-GOSISDBHSA-N 1 0 316.832 5.072 20 30 DKEDRO CC(C)C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000236620132 341189552 /nfs/dbraw/zinc/18/95/52/341189552.db2.gz OXRKCBCBZCEILJ-QGZVFWFLSA-N 1 0 318.873 5.150 20 30 DKEDRO CC(C)CC[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000236623925 341189623 /nfs/dbraw/zinc/18/96/23/341189623.db2.gz VIQQQVLRPXLUNW-SFHVURJKSA-N 1 0 316.832 5.072 20 30 DKEDRO CC(C)(C)C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000236627215 333512828 /nfs/dbraw/zinc/51/28/28/333512828.db2.gz UIUPJMBJFRSFBF-QGZVFWFLSA-N 1 0 316.445 5.026 20 30 DKEDRO CC(C)(C)C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000236627352 341190415 /nfs/dbraw/zinc/19/04/15/341190415.db2.gz BURQFQCNXAXCRB-QGZVFWFLSA-N 1 0 316.832 5.072 20 30 DKEDRO CC(C)(C)C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000236631297 333513215 /nfs/dbraw/zinc/51/32/15/333513215.db2.gz UIUPJMBJFRSFBF-KRWDZBQOSA-N 1 0 316.445 5.026 20 30 DKEDRO CC(C)(C)C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000236631382 341190470 /nfs/dbraw/zinc/19/04/70/341190470.db2.gz BURQFQCNXAXCRB-KRWDZBQOSA-N 1 0 316.832 5.072 20 30 DKEDRO CC(C)(CCC#N)C[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000236817192 341202206 /nfs/dbraw/zinc/20/22/06/341202206.db2.gz UBTYDOUNIREAGJ-UHFFFAOYSA-N 1 0 316.514 5.011 20 30 DKEDRO CC[C@@H](C)c1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)C(C)C)cc1 ZINC000236896790 341204096 /nfs/dbraw/zinc/20/40/96/341204096.db2.gz MMVQFQPFPXGXTB-QRWLVFNGSA-N 1 0 310.441 5.152 20 30 DKEDRO CC[C@@H](C)c1ccc([C@H]([NH2+]Cc2ccc(C#N)o2)C(C)C)cc1 ZINC000236897772 341204153 /nfs/dbraw/zinc/20/41/53/341204153.db2.gz MMVQFQPFPXGXTB-FOIQADDNSA-N 1 0 310.441 5.152 20 30 DKEDRO CC[C@H](C)c1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)C(C)C)cc1 ZINC000236909102 341204334 /nfs/dbraw/zinc/20/43/34/341204334.db2.gz MMVQFQPFPXGXTB-YWZLYKJASA-N 1 0 310.441 5.152 20 30 DKEDRO CC[C@H](C)c1ccc([C@H]([NH2+]Cc2ccc(C#N)o2)C(C)C)cc1 ZINC000236909955 341204329 /nfs/dbraw/zinc/20/43/29/341204329.db2.gz MMVQFQPFPXGXTB-MGPUTAFESA-N 1 0 310.441 5.152 20 30 DKEDRO CCC(CC)([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000236916797 341204459 /nfs/dbraw/zinc/20/44/59/341204459.db2.gz NWRQQQUFKSOVBI-UHFFFAOYSA-N 1 0 318.873 5.078 20 30 DKEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(-c2ccccc2)cc1 ZINC000237477153 340671202 /nfs/dbraw/zinc/67/12/02/340671202.db2.gz JXUZZCWHSJQVEW-QGZVFWFLSA-N 1 0 312.416 5.076 20 30 DKEDRO N#CCCCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000237772300 340673787 /nfs/dbraw/zinc/67/37/87/340673787.db2.gz PZXHEVIXWWGTGX-UHFFFAOYSA-N 1 0 323.223 5.037 20 30 DKEDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000246556484 337553557 /nfs/dbraw/zinc/55/35/57/337553557.db2.gz WYYDKHJKBASRAL-AHRSYUTCSA-N 1 0 304.437 5.178 20 30 DKEDRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCCCC(C)(C)C#N ZINC000277787314 334090909 /nfs/dbraw/zinc/09/09/09/334090909.db2.gz SFWZNOHUXLDOMH-AWEZNQCLSA-N 1 0 315.486 5.009 20 30 DKEDRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCCCC(C)(C)C#N ZINC000277787318 334090936 /nfs/dbraw/zinc/09/09/36/334090936.db2.gz SFWZNOHUXLDOMH-CQSZACIVSA-N 1 0 315.486 5.009 20 30 DKEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(-c2cccnc2)cc1 ZINC000278580456 334098483 /nfs/dbraw/zinc/09/84/83/334098483.db2.gz CQAHDNCHCRBWPY-KRWDZBQOSA-N 1 0 321.468 5.119 20 30 DKEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(-c2cccnc2)cc1 ZINC000278580465 334098474 /nfs/dbraw/zinc/09/84/74/334098474.db2.gz CQAHDNCHCRBWPY-QGZVFWFLSA-N 1 0 321.468 5.119 20 30 DKEDRO Cc1cc(N[C@H](CCC#N)c2ccccc2)c2cc(F)ccc2[nH+]1 ZINC000301814535 336331870 /nfs/dbraw/zinc/33/18/70/336331870.db2.gz ZMXSBBWBNREAHA-GOSISDBHSA-N 1 0 319.383 5.139 20 30 DKEDRO Cc1cc(N[C@@H](CCC#N)c2ccccc2)c2cc(F)ccc2[nH+]1 ZINC000301814536 336331802 /nfs/dbraw/zinc/33/18/02/336331802.db2.gz ZMXSBBWBNREAHA-SFHVURJKSA-N 1 0 319.383 5.139 20 30 DKEDRO Cc1ccc2[nH+]ccc(N[C@H](CCC#N)c3ccccc3)c2c1 ZINC000302235869 336355679 /nfs/dbraw/zinc/35/56/79/336355679.db2.gz VFIVANKZZGVLLF-GOSISDBHSA-N 1 0 301.393 5.000 20 30 DKEDRO Cc1ccc2[nH+]ccc(N[C@@H](CCC#N)c3ccccc3)c2c1 ZINC000302235870 336355631 /nfs/dbraw/zinc/35/56/31/336355631.db2.gz VFIVANKZZGVLLF-SFHVURJKSA-N 1 0 301.393 5.000 20 30 DKEDRO CC(C)(C#N)CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000303859591 340350213 /nfs/dbraw/zinc/35/02/13/340350213.db2.gz MFBLMLZJVSCEFI-UHFFFAOYSA-N 1 0 306.453 5.019 20 30 DKEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000315134035 337981618 /nfs/dbraw/zinc/98/16/18/337981618.db2.gz CHRKXMLOTVSWJK-IFXJQAMLSA-N 1 0 312.844 5.260 20 30 DKEDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000315134039 337981536 /nfs/dbraw/zinc/98/15/36/337981536.db2.gz CHRKXMLOTVSWJK-KUHUBIRLSA-N 1 0 312.844 5.260 20 30 DKEDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000315134042 337981498 /nfs/dbraw/zinc/98/14/98/337981498.db2.gz CHRKXMLOTVSWJK-LIRRHRJNSA-N 1 0 312.844 5.260 20 30 DKEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)c2cccc(Cl)c2)cc1 ZINC000315457196 337987470 /nfs/dbraw/zinc/98/74/70/337987470.db2.gz NLBPSTZCFCAPHF-IBGZPJMESA-N 1 0 315.844 5.146 20 30 DKEDRO C=CCOc1ccc(C[NH2+][C@H](CC)c2cccc(Cl)c2)cc1 ZINC000315457201 337987494 /nfs/dbraw/zinc/98/74/94/337987494.db2.gz NLBPSTZCFCAPHF-LJQANCHMSA-N 1 0 315.844 5.146 20 30 DKEDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315860938 340677156 /nfs/dbraw/zinc/67/71/56/340677156.db2.gz MKJRHCKLCGTDHY-AUUYWEPGSA-N 1 0 312.844 5.260 20 30 DKEDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315860947 340677162 /nfs/dbraw/zinc/67/71/62/340677162.db2.gz MKJRHCKLCGTDHY-KUHUBIRLSA-N 1 0 312.844 5.260 20 30 DKEDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315860951 340677242 /nfs/dbraw/zinc/67/72/42/340677242.db2.gz MKJRHCKLCGTDHY-LIRRHRJNSA-N 1 0 312.844 5.260 20 30 DKEDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315888537 340677217 /nfs/dbraw/zinc/67/72/17/340677217.db2.gz PFQCGTIMBDDKSF-AUUYWEPGSA-N 1 0 312.844 5.404 20 30 DKEDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315888538 340677192 /nfs/dbraw/zinc/67/71/92/340677192.db2.gz PFQCGTIMBDDKSF-IFXJQAMLSA-N 1 0 312.844 5.404 20 30 DKEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315888539 340677290 /nfs/dbraw/zinc/67/72/90/340677290.db2.gz PFQCGTIMBDDKSF-KUHUBIRLSA-N 1 0 312.844 5.404 20 30 DKEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315888540 340677274 /nfs/dbraw/zinc/67/72/74/340677274.db2.gz PFQCGTIMBDDKSF-LIRRHRJNSA-N 1 0 312.844 5.404 20 30 DKEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)s1)c1ccc(C#N)cc1 ZINC000319640497 333392121 /nfs/dbraw/zinc/39/21/21/333392121.db2.gz CBZQMCWHLUDNLZ-HNNXBMFYSA-N 1 0 318.445 5.138 20 30 DKEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)s1)c1ccc(C#N)cc1 ZINC000319640498 333392126 /nfs/dbraw/zinc/39/21/26/333392126.db2.gz CBZQMCWHLUDNLZ-OAHLLOKOSA-N 1 0 318.445 5.138 20 30 DKEDRO C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000319660966 333394090 /nfs/dbraw/zinc/39/40/90/333394090.db2.gz BTRBIXRWCPGSOZ-AUUYWEPGSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000319660967 333394094 /nfs/dbraw/zinc/39/40/94/333394094.db2.gz BTRBIXRWCPGSOZ-IFXJQAMLSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000319660968 333394122 /nfs/dbraw/zinc/39/41/22/333394122.db2.gz BTRBIXRWCPGSOZ-KUHUBIRLSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000319660969 333394080 /nfs/dbraw/zinc/39/40/80/333394080.db2.gz BTRBIXRWCPGSOZ-LIRRHRJNSA-N 1 0 310.416 5.135 20 30 DKEDRO CC(C)(C#N)CCCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000323450171 333308455 /nfs/dbraw/zinc/30/84/55/333308455.db2.gz UAHMFMWIVXXORJ-UHFFFAOYSA-N 1 0 306.453 5.086 20 30 DKEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000324925875 336274548 /nfs/dbraw/zinc/27/45/48/336274548.db2.gz VWZTWICBODEAGR-KRWDZBQOSA-N 1 0 312.416 5.076 20 30 DKEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000324925876 336274605 /nfs/dbraw/zinc/27/46/05/336274605.db2.gz VWZTWICBODEAGR-QGZVFWFLSA-N 1 0 312.416 5.076 20 30 DKEDRO CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000325107322 336279209 /nfs/dbraw/zinc/27/92/09/336279209.db2.gz AXCXPRUHPUORAZ-DLBZAZTESA-N 1 0 322.452 5.005 20 30 DKEDRO CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000325107324 336279154 /nfs/dbraw/zinc/27/91/54/336279154.db2.gz AXCXPRUHPUORAZ-IAGOWNOFSA-N 1 0 322.452 5.005 20 30 DKEDRO CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000325107326 336279244 /nfs/dbraw/zinc/27/92/44/336279244.db2.gz AXCXPRUHPUORAZ-IRXDYDNUSA-N 1 0 322.452 5.005 20 30 DKEDRO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000325107328 336279193 /nfs/dbraw/zinc/27/91/93/336279193.db2.gz AXCXPRUHPUORAZ-SJORKVTESA-N 1 0 322.452 5.005 20 30 DKEDRO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000325107853 336279251 /nfs/dbraw/zinc/27/92/51/336279251.db2.gz BKPVXKFHXUYLSQ-CABCVRRESA-N 1 0 318.420 5.279 20 30 DKEDRO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000325107854 336279198 /nfs/dbraw/zinc/27/91/98/336279198.db2.gz BKPVXKFHXUYLSQ-GJZGRUSLSA-N 1 0 318.420 5.279 20 30 DKEDRO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000325107855 336279206 /nfs/dbraw/zinc/27/92/06/336279206.db2.gz BKPVXKFHXUYLSQ-HUUCEWRRSA-N 1 0 318.420 5.279 20 30 DKEDRO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000325107856 336279271 /nfs/dbraw/zinc/27/92/71/336279271.db2.gz BKPVXKFHXUYLSQ-LSDHHAIUSA-N 1 0 318.420 5.279 20 30 DKEDRO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000339239464 333514523 /nfs/dbraw/zinc/51/45/23/333514523.db2.gz WYNLDDBTMFZKEK-NRFANRHFSA-N 1 0 321.468 5.038 20 30 DKEDRO Cc1nc(C(C)C)ccc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000339239472 333514563 /nfs/dbraw/zinc/51/45/63/333514563.db2.gz WYNLDDBTMFZKEK-OAQYLSRUSA-N 1 0 321.468 5.038 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1cccc(F)c1Cl)c1ccccc1 ZINC000339240027 333514567 /nfs/dbraw/zinc/51/45/67/333514567.db2.gz YPFWPIDMECHMLX-KRWDZBQOSA-N 1 0 316.807 5.004 20 30 DKEDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000339407435 333523423 /nfs/dbraw/zinc/52/34/23/333523423.db2.gz LOJRTWAOAXGRFR-IBGZPJMESA-N 1 0 312.844 5.173 20 30 DKEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340308469 334164047 /nfs/dbraw/zinc/16/40/47/334164047.db2.gz FHGRQGRDNQXTNL-HRAATJIYSA-N 1 0 304.437 5.260 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340308470 334164057 /nfs/dbraw/zinc/16/40/57/334164057.db2.gz FHGRQGRDNQXTNL-IERDGZPVSA-N 1 0 304.437 5.260 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340308471 334164071 /nfs/dbraw/zinc/16/40/71/334164071.db2.gz FHGRQGRDNQXTNL-IIBYNOLFSA-N 1 0 304.437 5.260 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340308472 334164124 /nfs/dbraw/zinc/16/41/24/334164124.db2.gz FHGRQGRDNQXTNL-KKSFZXQISA-N 1 0 304.437 5.260 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1 ZINC000340428909 334198234 /nfs/dbraw/zinc/19/82/34/334198234.db2.gz CCRFRKVAAORIPZ-MOPGFXCFSA-N 1 0 322.477 5.248 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1 ZINC000340428910 334198311 /nfs/dbraw/zinc/19/83/11/334198311.db2.gz CCRFRKVAAORIPZ-OALUTQOASA-N 1 0 322.477 5.248 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000340428911 334198304 /nfs/dbraw/zinc/19/83/04/334198304.db2.gz CCRFRKVAAORIPZ-RBUKOAKNSA-N 1 0 322.477 5.248 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000340428912 334198319 /nfs/dbraw/zinc/19/83/19/334198319.db2.gz CCRFRKVAAORIPZ-RTBURBONSA-N 1 0 322.477 5.248 20 30 DKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000340429789 334198807 /nfs/dbraw/zinc/19/88/07/334198807.db2.gz DTTGFIVHWRFMCK-LEWJYISDSA-N 1 0 322.452 5.171 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000340429790 334198620 /nfs/dbraw/zinc/19/86/20/334198620.db2.gz DTTGFIVHWRFMCK-NHCUHLMSSA-N 1 0 322.452 5.171 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000340429791 334198777 /nfs/dbraw/zinc/19/87/77/334198777.db2.gz DTTGFIVHWRFMCK-RTWAWAEBSA-N 1 0 322.452 5.171 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000340429792 334198630 /nfs/dbraw/zinc/19/86/30/334198630.db2.gz DTTGFIVHWRFMCK-SFTDATJTSA-N 1 0 322.452 5.171 20 30 DKEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)CCC2 ZINC000340430927 334199168 /nfs/dbraw/zinc/19/91/68/334199168.db2.gz AIKZQFRWVDZYON-FCHUYYIVSA-N 1 0 318.464 5.397 20 30 DKEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)CCC2 ZINC000340430929 334199160 /nfs/dbraw/zinc/19/91/60/334199160.db2.gz AIKZQFRWVDZYON-FGZHOGPDSA-N 1 0 318.464 5.397 20 30 DKEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)CCC2 ZINC000340430930 334199202 /nfs/dbraw/zinc/19/92/02/334199202.db2.gz AIKZQFRWVDZYON-VXKWHMMOSA-N 1 0 318.464 5.397 20 30 DKEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)CCC2 ZINC000340430931 334199107 /nfs/dbraw/zinc/19/91/07/334199107.db2.gz AIKZQFRWVDZYON-YADHBBJMSA-N 1 0 318.464 5.397 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1csc(Cl)c1 ZINC000340440602 334202589 /nfs/dbraw/zinc/20/25/89/334202589.db2.gz CMKLRZXRPKWBCB-BBRMVZONSA-N 1 0 318.873 5.487 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1csc(Cl)c1 ZINC000340440603 334202653 /nfs/dbraw/zinc/20/26/53/334202653.db2.gz CMKLRZXRPKWBCB-CJNGLKHVSA-N 1 0 318.873 5.487 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1csc(Cl)c1 ZINC000340440604 334202555 /nfs/dbraw/zinc/20/25/55/334202555.db2.gz CMKLRZXRPKWBCB-CZUORRHYSA-N 1 0 318.873 5.487 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1csc(Cl)c1 ZINC000340440605 334202543 /nfs/dbraw/zinc/20/25/43/334202543.db2.gz CMKLRZXRPKWBCB-XJKSGUPXSA-N 1 0 318.873 5.487 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1OC ZINC000340441696 334202451 /nfs/dbraw/zinc/20/24/51/334202451.db2.gz DFSSQVSAKGNQEQ-PMACEKPBSA-N 1 0 322.452 5.171 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1OC ZINC000340441708 334202456 /nfs/dbraw/zinc/20/24/56/334202456.db2.gz DFSSQVSAKGNQEQ-UXHICEINSA-N 1 0 322.452 5.171 20 30 DKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1OC ZINC000340441713 334202275 /nfs/dbraw/zinc/20/22/75/334202275.db2.gz DFSSQVSAKGNQEQ-VQTJNVASSA-N 1 0 322.452 5.171 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1OC ZINC000340441714 334202449 /nfs/dbraw/zinc/20/24/49/334202449.db2.gz DFSSQVSAKGNQEQ-WOJBJXKFSA-N 1 0 322.452 5.171 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(F)c1F ZINC000340441989 334202558 /nfs/dbraw/zinc/20/25/58/334202558.db2.gz DTRSYSARJZWBJY-KBXCAEBGSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1F ZINC000340442008 334202568 /nfs/dbraw/zinc/20/25/68/334202568.db2.gz DTRSYSARJZWBJY-KDOFPFPSSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1F ZINC000340442009 334202563 /nfs/dbraw/zinc/20/25/63/334202563.db2.gz DTRSYSARJZWBJY-KSSFIOAISA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(F)c1F ZINC000340442034 334202626 /nfs/dbraw/zinc/20/26/26/334202626.db2.gz DTRSYSARJZWBJY-RDTXWAMCSA-N 1 0 314.379 5.051 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000340444028 334202914 /nfs/dbraw/zinc/20/29/14/334202914.db2.gz BUBYZPCKQZENBZ-MSOLQXFVSA-N 1 0 310.466 5.150 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000340444035 334202927 /nfs/dbraw/zinc/20/29/27/334202927.db2.gz BUBYZPCKQZENBZ-QZTJIDSGSA-N 1 0 310.466 5.150 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000340444041 334202984 /nfs/dbraw/zinc/20/29/84/334202984.db2.gz BUBYZPCKQZENBZ-ROUUACIJSA-N 1 0 310.466 5.150 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000340444048 334202925 /nfs/dbraw/zinc/20/29/25/334202925.db2.gz BUBYZPCKQZENBZ-ZWKOTPCHSA-N 1 0 310.466 5.150 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1F ZINC000340444132 334202943 /nfs/dbraw/zinc/20/29/43/334202943.db2.gz CEEFCABVPICULY-PMACEKPBSA-N 1 0 310.416 5.302 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1F ZINC000340444136 334202930 /nfs/dbraw/zinc/20/29/30/334202930.db2.gz CEEFCABVPICULY-UXHICEINSA-N 1 0 310.416 5.302 20 30 DKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1F ZINC000340444139 334203050 /nfs/dbraw/zinc/20/30/50/334203050.db2.gz CEEFCABVPICULY-VQTJNVASSA-N 1 0 310.416 5.302 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1F ZINC000340444141 334203044 /nfs/dbraw/zinc/20/30/44/334203044.db2.gz CEEFCABVPICULY-WOJBJXKFSA-N 1 0 310.416 5.302 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000340444222 334203057 /nfs/dbraw/zinc/20/30/57/334203057.db2.gz HACBJPUFBNYFSE-AUUYWEPGSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000340444223 334203030 /nfs/dbraw/zinc/20/30/30/334203030.db2.gz HACBJPUFBNYFSE-IFXJQAMLSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000340444225 334202952 /nfs/dbraw/zinc/20/29/52/334202952.db2.gz HACBJPUFBNYFSE-KUHUBIRLSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000340444226 334202909 /nfs/dbraw/zinc/20/29/09/334202909.db2.gz HACBJPUFBNYFSE-LIRRHRJNSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340444764 334203592 /nfs/dbraw/zinc/20/35/92/334203592.db2.gz JKFPBDIJIGWWKB-CZAAIQMYSA-N 1 0 304.437 5.260 20 30 DKEDRO C[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340444765 334203705 /nfs/dbraw/zinc/20/37/05/334203705.db2.gz JKFPBDIJIGWWKB-HBGVWJBISA-N 1 0 304.437 5.260 20 30 DKEDRO C[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340444766 334203699 /nfs/dbraw/zinc/20/36/99/334203699.db2.gz JKFPBDIJIGWWKB-MAODMQOUSA-N 1 0 304.437 5.260 20 30 DKEDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340444767 334203669 /nfs/dbraw/zinc/20/36/69/334203669.db2.gz JKFPBDIJIGWWKB-TYCQWZJGSA-N 1 0 304.437 5.260 20 30 DKEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340445164 334203736 /nfs/dbraw/zinc/20/37/36/334203736.db2.gz LKROZEBFMSQLCU-DYESRHJHSA-N 1 0 322.452 5.171 20 30 DKEDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340445165 334203727 /nfs/dbraw/zinc/20/37/27/334203727.db2.gz LKROZEBFMSQLCU-LAUBAEHRSA-N 1 0 322.452 5.171 20 30 DKEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340445166 334203792 /nfs/dbraw/zinc/20/37/92/334203792.db2.gz LKROZEBFMSQLCU-UTKZUKDTSA-N 1 0 322.452 5.171 20 30 DKEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340445167 334203821 /nfs/dbraw/zinc/20/38/21/334203821.db2.gz LKROZEBFMSQLCU-UWJYYQICSA-N 1 0 322.452 5.171 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340445484 334203981 /nfs/dbraw/zinc/20/39/81/334203981.db2.gz DUDDDBYHASELKJ-HTAPYJJXSA-N 1 0 318.464 5.650 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340445485 334203951 /nfs/dbraw/zinc/20/39/51/334203951.db2.gz DUDDDBYHASELKJ-JTSKRJEESA-N 1 0 318.464 5.650 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340445486 334203973 /nfs/dbraw/zinc/20/39/73/334203973.db2.gz DUDDDBYHASELKJ-VGOFRKELSA-N 1 0 318.464 5.650 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340445487 334203971 /nfs/dbraw/zinc/20/39/71/334203971.db2.gz DUDDDBYHASELKJ-VGSWGCGISA-N 1 0 318.464 5.650 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1 ZINC000340445488 334203946 /nfs/dbraw/zinc/20/39/46/334203946.db2.gz DURTTYOKKKKNHK-PMACEKPBSA-N 1 0 310.416 5.302 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1 ZINC000340445489 334203975 /nfs/dbraw/zinc/20/39/75/334203975.db2.gz DURTTYOKKKKNHK-UXHICEINSA-N 1 0 310.416 5.302 20 30 DKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(F)c1 ZINC000340445490 334203959 /nfs/dbraw/zinc/20/39/59/334203959.db2.gz DURTTYOKKKKNHK-VQTJNVASSA-N 1 0 310.416 5.302 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(F)c1 ZINC000340445491 334203948 /nfs/dbraw/zinc/20/39/48/334203948.db2.gz DURTTYOKKKKNHK-WOJBJXKFSA-N 1 0 310.416 5.302 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000340445554 334203243 /nfs/dbraw/zinc/20/32/43/334203243.db2.gz FIAQUKZPQAPTLP-LEWJYISDSA-N 1 0 322.427 5.228 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000340445560 334203240 /nfs/dbraw/zinc/20/32/40/334203240.db2.gz FIAQUKZPQAPTLP-NHCUHLMSSA-N 1 0 322.427 5.228 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000340445562 334203237 /nfs/dbraw/zinc/20/32/37/334203237.db2.gz FIAQUKZPQAPTLP-RTWAWAEBSA-N 1 0 322.427 5.228 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000340445563 334203245 /nfs/dbraw/zinc/20/32/45/334203245.db2.gz FIAQUKZPQAPTLP-SFTDATJTSA-N 1 0 322.427 5.228 20 30 DKEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340445983 334203469 /nfs/dbraw/zinc/20/34/69/334203469.db2.gz MLIVRNCPMRZAIS-GDBMZVCRSA-N 1 0 312.379 5.132 20 30 DKEDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340445988 334203504 /nfs/dbraw/zinc/20/35/04/334203504.db2.gz MLIVRNCPMRZAIS-GOEBONIOSA-N 1 0 312.379 5.132 20 30 DKEDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340445989 334203447 /nfs/dbraw/zinc/20/34/47/334203447.db2.gz MLIVRNCPMRZAIS-HOCLYGCPSA-N 1 0 312.379 5.132 20 30 DKEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340445990 334203484 /nfs/dbraw/zinc/20/34/84/334203484.db2.gz MLIVRNCPMRZAIS-ZBFHGGJFSA-N 1 0 312.379 5.132 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000340446433 334203583 /nfs/dbraw/zinc/20/35/83/334203583.db2.gz ONZZMKXUQMAILA-PMACEKPBSA-N 1 0 310.416 5.302 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000340446434 334203721 /nfs/dbraw/zinc/20/37/21/334203721.db2.gz ONZZMKXUQMAILA-UXHICEINSA-N 1 0 310.416 5.302 20 30 DKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000340446435 334203657 /nfs/dbraw/zinc/20/36/57/334203657.db2.gz ONZZMKXUQMAILA-VQTJNVASSA-N 1 0 310.416 5.302 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000340446436 334203622 /nfs/dbraw/zinc/20/36/22/334203622.db2.gz ONZZMKXUQMAILA-WOJBJXKFSA-N 1 0 310.416 5.302 20 30 DKEDRO C[C@H](CCc1ccsc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340446444 334203617 /nfs/dbraw/zinc/20/36/17/334203617.db2.gz OUAUTXIUKZLXNO-APWZRJJASA-N 1 0 312.482 5.094 20 30 DKEDRO C[C@@H](CCc1ccsc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340446445 334203716 /nfs/dbraw/zinc/20/37/16/334203716.db2.gz OUAUTXIUKZLXNO-LPHOPBHVSA-N 1 0 312.482 5.094 20 30 DKEDRO C[C@@H](CCc1ccsc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340446446 334203688 /nfs/dbraw/zinc/20/36/88/334203688.db2.gz OUAUTXIUKZLXNO-QFBILLFUSA-N 1 0 312.482 5.094 20 30 DKEDRO C[C@H](CCc1ccsc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340446447 334203723 /nfs/dbraw/zinc/20/37/23/334203723.db2.gz OUAUTXIUKZLXNO-VQIMIIECSA-N 1 0 312.482 5.094 20 30 DKEDRO CCC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000340447180 334204377 /nfs/dbraw/zinc/20/43/77/334204377.db2.gz PFEJFBYZNMPECX-MOPGFXCFSA-N 1 0 312.482 5.614 20 30 DKEDRO CCC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000340447181 334204246 /nfs/dbraw/zinc/20/42/46/334204246.db2.gz PFEJFBYZNMPECX-OALUTQOASA-N 1 0 312.482 5.614 20 30 DKEDRO CCC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000340447182 334204234 /nfs/dbraw/zinc/20/42/34/334204234.db2.gz PFEJFBYZNMPECX-RBUKOAKNSA-N 1 0 312.482 5.614 20 30 DKEDRO CCC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000340447183 334204267 /nfs/dbraw/zinc/20/42/67/334204267.db2.gz PFEJFBYZNMPECX-RTBURBONSA-N 1 0 312.482 5.614 20 30 DKEDRO CCOc1ccccc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340447184 334204310 /nfs/dbraw/zinc/20/43/10/334204310.db2.gz PFJAWFUPHOQSBY-FXAWDEMLSA-N 1 0 322.452 5.171 20 30 DKEDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340447185 334204294 /nfs/dbraw/zinc/20/42/94/334204294.db2.gz PFJAWFUPHOQSBY-PXNSSMCTSA-N 1 0 322.452 5.171 20 30 DKEDRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340447186 334204338 /nfs/dbraw/zinc/20/43/38/334204338.db2.gz PFJAWFUPHOQSBY-XLIONFOSSA-N 1 0 322.452 5.171 20 30 DKEDRO CCOc1ccccc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340447187 334204358 /nfs/dbraw/zinc/20/43/58/334204358.db2.gz PFJAWFUPHOQSBY-YLJYHZDGSA-N 1 0 322.452 5.171 20 30 DKEDRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340447320 334204252 /nfs/dbraw/zinc/20/42/52/334204252.db2.gz PQZJLDPRLAITFA-APWZRJJASA-N 1 0 324.493 5.494 20 30 DKEDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340447321 334204299 /nfs/dbraw/zinc/20/42/99/334204299.db2.gz PQZJLDPRLAITFA-LPHOPBHVSA-N 1 0 324.493 5.494 20 30 DKEDRO CSc1ccccc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340447322 334204364 /nfs/dbraw/zinc/20/43/64/334204364.db2.gz PQZJLDPRLAITFA-QFBILLFUSA-N 1 0 324.493 5.494 20 30 DKEDRO CSc1ccccc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340447323 334204388 /nfs/dbraw/zinc/20/43/88/334204388.db2.gz PQZJLDPRLAITFA-VQIMIIECSA-N 1 0 324.493 5.494 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000340448039 334204498 /nfs/dbraw/zinc/20/44/98/334204498.db2.gz IRMJZYQJTAISGS-AUUYWEPGSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000340448041 334204522 /nfs/dbraw/zinc/20/45/22/334204522.db2.gz IRMJZYQJTAISGS-IFXJQAMLSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000340448043 334204439 /nfs/dbraw/zinc/20/44/39/334204439.db2.gz IRMJZYQJTAISGS-KUHUBIRLSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000340448044 334204532 /nfs/dbraw/zinc/20/45/32/334204532.db2.gz IRMJZYQJTAISGS-LIRRHRJNSA-N 1 0 314.379 5.051 20 30 DKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C)cc1 ZINC000340448046 334204518 /nfs/dbraw/zinc/20/45/18/334204518.db2.gz ISMMMNOSAWONJF-LEWJYISDSA-N 1 0 306.453 5.471 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C)cc1 ZINC000340448056 334204433 /nfs/dbraw/zinc/20/44/33/334204433.db2.gz ISMMMNOSAWONJF-NHCUHLMSSA-N 1 0 306.453 5.471 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C)cc1 ZINC000340448058 334204506 /nfs/dbraw/zinc/20/45/06/334204506.db2.gz ISMMMNOSAWONJF-RTWAWAEBSA-N 1 0 306.453 5.471 20 30 DKEDRO N#CCCC[C@H]([NH2+]C1CC(c2ccccc2F)C1)c1ccccc1 ZINC000340448073 334204679 /nfs/dbraw/zinc/20/46/79/334204679.db2.gz RBNIRONQYXWMPC-NGICGMGXSA-N 1 0 322.427 5.096 20 30 DKEDRO N#CCCC[C@@H]([NH2+]C1CC(c2ccccc2F)C1)c1ccccc1 ZINC000340448074 334204684 /nfs/dbraw/zinc/20/46/84/334204684.db2.gz RBNIRONQYXWMPC-WIXQSORDSA-N 1 0 322.427 5.096 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C)cc1 ZINC000340448676 334204413 /nfs/dbraw/zinc/20/44/13/334204413.db2.gz ISMMMNOSAWONJF-SFTDATJTSA-N 1 0 306.453 5.471 20 30 DKEDRO CCC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000340448701 334203983 /nfs/dbraw/zinc/20/39/83/334203983.db2.gz JBVOJRXZPWENMZ-LEWJYISDSA-N 1 0 306.453 5.553 20 30 DKEDRO CCC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000340448702 334203978 /nfs/dbraw/zinc/20/39/78/334203978.db2.gz JBVOJRXZPWENMZ-NHCUHLMSSA-N 1 0 306.453 5.553 20 30 DKEDRO CCC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000340448703 334203958 /nfs/dbraw/zinc/20/39/58/334203958.db2.gz JBVOJRXZPWENMZ-RTWAWAEBSA-N 1 0 306.453 5.553 20 30 DKEDRO CCC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000340448704 334203938 /nfs/dbraw/zinc/20/39/38/334203938.db2.gz JBVOJRXZPWENMZ-SFTDATJTSA-N 1 0 306.453 5.553 20 30 DKEDRO CSc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340449322 334205335 /nfs/dbraw/zinc/20/53/35/334205335.db2.gz UOTOQBQPHIHHOB-JXFKEZNVSA-N 1 0 324.493 5.494 20 30 DKEDRO CSc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340449323 334205440 /nfs/dbraw/zinc/20/54/40/334205440.db2.gz UOTOQBQPHIHHOB-OXJNMPFZSA-N 1 0 324.493 5.494 20 30 DKEDRO CSc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340449325 334205484 /nfs/dbraw/zinc/20/54/84/334205484.db2.gz UOTOQBQPHIHHOB-OXQOHEQNSA-N 1 0 324.493 5.494 20 30 DKEDRO CSc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340449327 334205512 /nfs/dbraw/zinc/20/55/12/334205512.db2.gz UOTOQBQPHIHHOB-UZLBHIALSA-N 1 0 324.493 5.494 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000340449457 334205506 /nfs/dbraw/zinc/20/55/06/334205506.db2.gz VISPDJMUFYZLIT-HTAPYJJXSA-N 1 0 318.464 5.261 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000340449471 334205448 /nfs/dbraw/zinc/20/54/48/334205448.db2.gz VISPDJMUFYZLIT-JTSKRJEESA-N 1 0 318.464 5.261 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000340449473 334205460 /nfs/dbraw/zinc/20/54/60/334205460.db2.gz VISPDJMUFYZLIT-VGOFRKELSA-N 1 0 318.464 5.261 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000340449475 334205462 /nfs/dbraw/zinc/20/54/62/334205462.db2.gz VISPDJMUFYZLIT-VGSWGCGISA-N 1 0 318.464 5.261 20 30 DKEDRO C[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340450314 334204842 /nfs/dbraw/zinc/20/48/42/334204842.db2.gz XCKMQWNCMOBDBP-VOQZNFBZSA-N 1 0 318.464 5.650 20 30 DKEDRO C[C@@H]1CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340450315 334204820 /nfs/dbraw/zinc/20/48/20/334204820.db2.gz XCKMQWNCMOBDBP-WTNAPCKOSA-N 1 0 318.464 5.650 20 30 DKEDRO C[C@@H]1CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340450316 334204827 /nfs/dbraw/zinc/20/48/27/334204827.db2.gz XCKMQWNCMOBDBP-YHYVQYDKSA-N 1 0 318.464 5.650 20 30 DKEDRO C[C@@H]1CC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340450317 334204860 /nfs/dbraw/zinc/20/48/60/334204860.db2.gz XCKMQWNCMOBDBP-ZPMCFJSWSA-N 1 0 318.464 5.650 20 30 DKEDRO CC1(C)Cc2occc2[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000340450318 334204780 /nfs/dbraw/zinc/20/47/80/334204780.db2.gz XDFQLJIPGFWDOQ-MOPGFXCFSA-N 1 0 322.452 5.318 20 30 DKEDRO CC1(C)Cc2occc2[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000340450321 334204863 /nfs/dbraw/zinc/20/48/63/334204863.db2.gz XDFQLJIPGFWDOQ-OALUTQOASA-N 1 0 322.452 5.318 20 30 DKEDRO CC1(C)Cc2occc2[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000340450322 334204850 /nfs/dbraw/zinc/20/48/50/334204850.db2.gz XDFQLJIPGFWDOQ-RBUKOAKNSA-N 1 0 322.452 5.318 20 30 DKEDRO CC1(C)Cc2occc2[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000340450323 334204765 /nfs/dbraw/zinc/20/47/65/334204765.db2.gz XDFQLJIPGFWDOQ-RTBURBONSA-N 1 0 322.452 5.318 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000340450324 334204857 /nfs/dbraw/zinc/20/48/57/334204857.db2.gz XEHRPJUUCADNJX-LEWJYISDSA-N 1 0 322.427 5.228 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000340450325 334204865 /nfs/dbraw/zinc/20/48/65/334204865.db2.gz XEHRPJUUCADNJX-NHCUHLMSSA-N 1 0 322.427 5.228 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000340450327 334204854 /nfs/dbraw/zinc/20/48/54/334204854.db2.gz XEHRPJUUCADNJX-RTWAWAEBSA-N 1 0 322.427 5.228 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000340450328 334204838 /nfs/dbraw/zinc/20/48/38/334204838.db2.gz XEHRPJUUCADNJX-SFTDATJTSA-N 1 0 322.427 5.228 20 30 DKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(C)c1 ZINC000340450379 334204826 /nfs/dbraw/zinc/20/48/26/334204826.db2.gz XYMNLQJLESLAAS-LEWJYISDSA-N 1 0 306.453 5.471 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(C)c1 ZINC000340450381 334204777 /nfs/dbraw/zinc/20/47/77/334204777.db2.gz XYMNLQJLESLAAS-NHCUHLMSSA-N 1 0 306.453 5.471 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(C)c1 ZINC000340450382 334204825 /nfs/dbraw/zinc/20/48/25/334204825.db2.gz XYMNLQJLESLAAS-RTWAWAEBSA-N 1 0 306.453 5.471 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(C)c1 ZINC000340450383 334204861 /nfs/dbraw/zinc/20/48/61/334204861.db2.gz XYMNLQJLESLAAS-SFTDATJTSA-N 1 0 306.453 5.471 20 30 DKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340450957 334205214 /nfs/dbraw/zinc/20/52/14/334205214.db2.gz YPZIBSMIDPIIAT-LEWJYISDSA-N 1 0 317.436 5.034 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340450968 334205169 /nfs/dbraw/zinc/20/51/69/334205169.db2.gz YPZIBSMIDPIIAT-NHCUHLMSSA-N 1 0 317.436 5.034 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340450970 334205124 /nfs/dbraw/zinc/20/51/24/334205124.db2.gz YPZIBSMIDPIIAT-RTWAWAEBSA-N 1 0 317.436 5.034 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340450971 334205175 /nfs/dbraw/zinc/20/51/75/334205175.db2.gz YPZIBSMIDPIIAT-SFTDATJTSA-N 1 0 317.436 5.034 20 30 DKEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)CC2 ZINC000340451834 334205861 /nfs/dbraw/zinc/20/58/61/334205861.db2.gz PDRRLQXBDJUIHP-LEWJYISDSA-N 1 0 304.437 5.007 20 30 DKEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)CC2 ZINC000340451835 334205956 /nfs/dbraw/zinc/20/59/56/334205956.db2.gz PDRRLQXBDJUIHP-NHCUHLMSSA-N 1 0 304.437 5.007 20 30 DKEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)CC2 ZINC000340451836 334205950 /nfs/dbraw/zinc/20/59/50/334205950.db2.gz PDRRLQXBDJUIHP-RTWAWAEBSA-N 1 0 304.437 5.007 20 30 DKEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)CC2 ZINC000340451837 334205877 /nfs/dbraw/zinc/20/58/77/334205877.db2.gz PDRRLQXBDJUIHP-SFTDATJTSA-N 1 0 304.437 5.007 20 30 DKEDRO Cc1cc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000340451869 334205875 /nfs/dbraw/zinc/20/58/75/334205875.db2.gz PXAYDCSJTVNRHL-BEFAXECRSA-N 1 0 312.482 5.451 20 30 DKEDRO Cc1cc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000340451870 334205961 /nfs/dbraw/zinc/20/59/61/334205961.db2.gz PXAYDCSJTVNRHL-DNVCBOLYSA-N 1 0 312.482 5.451 20 30 DKEDRO Cc1cc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000340451871 334205849 /nfs/dbraw/zinc/20/58/49/334205849.db2.gz PXAYDCSJTVNRHL-HNAYVOBHSA-N 1 0 312.482 5.451 20 30 DKEDRO Cc1cc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000340451872 334205813 /nfs/dbraw/zinc/20/58/13/334205813.db2.gz PXAYDCSJTVNRHL-KXBFYZLASA-N 1 0 312.482 5.451 20 30 DKEDRO N#CCCC[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000340451873 334205919 /nfs/dbraw/zinc/20/59/19/334205919.db2.gz PYCYSFJNGNHKKS-JCYILVPMSA-N 1 0 324.390 5.132 20 30 DKEDRO N#CCCC[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000340451874 334205943 /nfs/dbraw/zinc/20/59/43/334205943.db2.gz PYCYSFJNGNHKKS-OFLPRAFFSA-N 1 0 324.390 5.132 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000340453001 334205621 /nfs/dbraw/zinc/20/56/21/334205621.db2.gz QDUGJGPGSUQIMU-BBWFWOEESA-N 1 0 324.390 5.132 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000340453002 334205607 /nfs/dbraw/zinc/20/56/07/334205607.db2.gz QDUGJGPGSUQIMU-IKGGRYGDSA-N 1 0 324.390 5.132 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000340453003 334205537 /nfs/dbraw/zinc/20/55/37/334205537.db2.gz QDUGJGPGSUQIMU-ULQDDVLXSA-N 1 0 324.390 5.132 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000340453004 334205598 /nfs/dbraw/zinc/20/55/98/334205598.db2.gz QDUGJGPGSUQIMU-ZACQAIPSSA-N 1 0 324.390 5.132 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CCC(F)(F)CC1 ZINC000340453074 334206825 /nfs/dbraw/zinc/20/68/25/334206825.db2.gz RKGRIPSJVXHHOA-CRAIPNDOSA-N 1 0 320.427 5.225 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CCC(F)(F)CC1 ZINC000340453075 334206835 /nfs/dbraw/zinc/20/68/35/334206835.db2.gz RKGRIPSJVXHHOA-MAUKXSAKSA-N 1 0 320.427 5.225 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CCC(F)(F)CC1 ZINC000340453076 334206832 /nfs/dbraw/zinc/20/68/32/334206832.db2.gz RKGRIPSJVXHHOA-QAPCUYQASA-N 1 0 320.427 5.225 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CCC(F)(F)CC1 ZINC000340453077 334206843 /nfs/dbraw/zinc/20/68/43/334206843.db2.gz RKGRIPSJVXHHOA-YJBOKZPZSA-N 1 0 320.427 5.225 20 30 DKEDRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340453966 334206471 /nfs/dbraw/zinc/20/64/71/334206471.db2.gz SMVILZRNSQZBDD-LEWJYISDSA-N 1 0 304.437 5.007 20 30 DKEDRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340453968 334206565 /nfs/dbraw/zinc/20/65/65/334206565.db2.gz SMVILZRNSQZBDD-NHCUHLMSSA-N 1 0 304.437 5.007 20 30 DKEDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340453970 334206587 /nfs/dbraw/zinc/20/65/87/334206587.db2.gz SMVILZRNSQZBDD-RTWAWAEBSA-N 1 0 304.437 5.007 20 30 DKEDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340453971 334206510 /nfs/dbraw/zinc/20/65/10/334206510.db2.gz SMVILZRNSQZBDD-SFTDATJTSA-N 1 0 304.437 5.007 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000340454885 334207296 /nfs/dbraw/zinc/20/72/96/334207296.db2.gz SUKSMEPDDULGPV-LEWJYISDSA-N 1 0 304.437 5.089 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000340454891 334207289 /nfs/dbraw/zinc/20/72/89/334207289.db2.gz SUKSMEPDDULGPV-NHCUHLMSSA-N 1 0 304.437 5.089 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000340454894 334207293 /nfs/dbraw/zinc/20/72/93/334207293.db2.gz SUKSMEPDDULGPV-RTWAWAEBSA-N 1 0 304.437 5.089 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000340454900 334207304 /nfs/dbraw/zinc/20/73/04/334207304.db2.gz SUKSMEPDDULGPV-SFTDATJTSA-N 1 0 304.437 5.089 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000340456196 334207119 /nfs/dbraw/zinc/20/71/19/334207119.db2.gz VVTFPEZXVVODHT-AUUYWEPGSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000340456197 334207160 /nfs/dbraw/zinc/20/71/60/334207160.db2.gz VVTFPEZXVVODHT-IFXJQAMLSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000340456198 334207089 /nfs/dbraw/zinc/20/70/89/334207089.db2.gz VVTFPEZXVVODHT-KUHUBIRLSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000340456199 334207080 /nfs/dbraw/zinc/20/70/80/334207080.db2.gz VVTFPEZXVVODHT-LIRRHRJNSA-N 1 0 314.379 5.051 20 30 DKEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340457861 334207605 /nfs/dbraw/zinc/20/76/05/334207605.db2.gz WLFMPAREOADLEZ-FXAWDEMLSA-N 1 0 322.452 5.089 20 30 DKEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340457865 334207697 /nfs/dbraw/zinc/20/76/97/334207697.db2.gz WLFMPAREOADLEZ-PXNSSMCTSA-N 1 0 322.452 5.089 20 30 DKEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340457868 334207576 /nfs/dbraw/zinc/20/75/76/334207576.db2.gz WLFMPAREOADLEZ-XLIONFOSSA-N 1 0 322.452 5.089 20 30 DKEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340457872 334207555 /nfs/dbraw/zinc/20/75/55/334207555.db2.gz WLFMPAREOADLEZ-YLJYHZDGSA-N 1 0 322.452 5.089 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000340457950 334207582 /nfs/dbraw/zinc/20/75/82/334207582.db2.gz WZOWFEXZRXADTB-AUUYWEPGSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000340457952 334207563 /nfs/dbraw/zinc/20/75/63/334207563.db2.gz WZOWFEXZRXADTB-IFXJQAMLSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000340457953 334207705 /nfs/dbraw/zinc/20/77/05/334207705.db2.gz WZOWFEXZRXADTB-KUHUBIRLSA-N 1 0 314.379 5.051 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000340457954 334207641 /nfs/dbraw/zinc/20/76/41/334207641.db2.gz WZOWFEXZRXADTB-LIRRHRJNSA-N 1 0 314.379 5.051 20 30 DKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(OC)c1 ZINC000340458047 334207549 /nfs/dbraw/zinc/20/75/49/334207549.db2.gz XNZLTLHXGLDMFV-LEWJYISDSA-N 1 0 322.452 5.171 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(OC)c1 ZINC000340458048 334207687 /nfs/dbraw/zinc/20/76/87/334207687.db2.gz XNZLTLHXGLDMFV-NHCUHLMSSA-N 1 0 322.452 5.171 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(OC)c1 ZINC000340458049 334207667 /nfs/dbraw/zinc/20/76/67/334207667.db2.gz XNZLTLHXGLDMFV-RTWAWAEBSA-N 1 0 322.452 5.171 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(OC)c1 ZINC000340458050 334207671 /nfs/dbraw/zinc/20/76/71/334207671.db2.gz XNZLTLHXGLDMFV-SFTDATJTSA-N 1 0 322.452 5.171 20 30 DKEDRO Cc1ccccc1C1CC([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000340458546 334207763 /nfs/dbraw/zinc/20/77/63/334207763.db2.gz YJCCDYZSUOQDJW-AOMIVXANSA-N 1 0 318.464 5.266 20 30 DKEDRO Cc1ccccc1C1CC([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000340458586 334207847 /nfs/dbraw/zinc/20/78/47/334207847.db2.gz YJCCDYZSUOQDJW-QETWGEEDSA-N 1 0 318.464 5.266 20 30 DKEDRO CCc1ccc([C@H](CC)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340460923 334208363 /nfs/dbraw/zinc/20/83/63/334208363.db2.gz YPBUBMBBUJDHML-FCHUYYIVSA-N 1 0 320.480 5.725 20 30 DKEDRO CCc1ccc([C@@H](CC)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340460934 334208452 /nfs/dbraw/zinc/20/84/52/334208452.db2.gz YPBUBMBBUJDHML-FGZHOGPDSA-N 1 0 320.480 5.725 20 30 DKEDRO CCc1ccc([C@H](CC)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340460950 334208455 /nfs/dbraw/zinc/20/84/55/334208455.db2.gz YPBUBMBBUJDHML-VXKWHMMOSA-N 1 0 320.480 5.725 20 30 DKEDRO CCc1ccc([C@@H](CC)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340460968 334208377 /nfs/dbraw/zinc/20/83/77/334208377.db2.gz YPBUBMBBUJDHML-YADHBBJMSA-N 1 0 320.480 5.725 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340523221 334229080 /nfs/dbraw/zinc/22/90/80/334229080.db2.gz CDHMPBOJKGCIKC-LEWJYISDSA-N 1 0 307.437 5.067 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340523254 334229071 /nfs/dbraw/zinc/22/90/71/334229071.db2.gz CDHMPBOJKGCIKC-NHCUHLMSSA-N 1 0 307.437 5.067 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340523256 334229056 /nfs/dbraw/zinc/22/90/56/334229056.db2.gz CDHMPBOJKGCIKC-RTWAWAEBSA-N 1 0 307.437 5.067 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340523257 334229075 /nfs/dbraw/zinc/22/90/75/334229075.db2.gz CDHMPBOJKGCIKC-SFTDATJTSA-N 1 0 307.437 5.067 20 30 DKEDRO CCC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341752982 334476842 /nfs/dbraw/zinc/47/68/42/334476842.db2.gz ZOGPTDQNHIIPBN-LEWJYISDSA-N 1 0 304.437 5.067 20 30 DKEDRO CCC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341752983 334476759 /nfs/dbraw/zinc/47/67/59/334476759.db2.gz ZOGPTDQNHIIPBN-NHCUHLMSSA-N 1 0 304.437 5.067 20 30 DKEDRO CCC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341752985 334476787 /nfs/dbraw/zinc/47/67/87/334476787.db2.gz ZOGPTDQNHIIPBN-SFTDATJTSA-N 1 0 304.437 5.067 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1cc(F)cc2cccnc21)c1ccccc1 ZINC000341937692 334494327 /nfs/dbraw/zinc/49/43/27/334494327.db2.gz BWLOZLFFKXWWKQ-FQEVSTJZSA-N 1 0 320.411 5.171 20 30 DKEDRO CCCCOc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000344822918 335281113 /nfs/dbraw/zinc/28/11/13/335281113.db2.gz FPOIQIQAJRYMBY-NRFANRHFSA-N 1 0 322.452 5.000 20 30 DKEDRO CCCCOc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000344822950 335281205 /nfs/dbraw/zinc/28/12/05/335281205.db2.gz FPOIQIQAJRYMBY-OAQYLSRUSA-N 1 0 322.452 5.000 20 30 DKEDRO Cc1cc(Cl)cc(C)c1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000344833529 335279039 /nfs/dbraw/zinc/27/90/39/335279039.db2.gz XJRMNNVMRQCNTR-IBGZPJMESA-N 1 0 312.844 5.092 20 30 DKEDRO Cc1cc(Cl)cc(C)c1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000344833563 335278856 /nfs/dbraw/zinc/27/88/56/335278856.db2.gz XJRMNNVMRQCNTR-LJQANCHMSA-N 1 0 312.844 5.092 20 30 DKEDRO CC(C)(CCC#N)C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000348215469 335562114 /nfs/dbraw/zinc/56/21/14/335562114.db2.gz NGEQFEJRTSTKSX-KRWDZBQOSA-N 1 0 304.865 5.101 20 30 DKEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000348220763 335562931 /nfs/dbraw/zinc/56/29/31/335562931.db2.gz VNYPTPROLOJNQB-HNNXBMFYSA-N 1 0 322.905 5.187 20 30 DKEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000348221014 335562846 /nfs/dbraw/zinc/56/28/46/335562846.db2.gz VNYPTPROLOJNQB-OAHLLOKOSA-N 1 0 322.905 5.187 20 30 DKEDRO N#CCC[C@@H]([NH2+]C1CC(c2ccccc2Cl)C1)c1ccccc1 ZINC000352694173 336230831 /nfs/dbraw/zinc/23/08/31/336230831.db2.gz VXSYNKWMWFMJQN-LBXVMSDZSA-N 1 0 324.855 5.221 20 30 DKEDRO N#CCC[C@H]([NH2+]C1CC(c2ccccc2Cl)C1)c1ccccc1 ZINC000352694174 336230892 /nfs/dbraw/zinc/23/08/92/336230892.db2.gz VXSYNKWMWFMJQN-UHYCVJNDSA-N 1 0 324.855 5.221 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000353911809 336447485 /nfs/dbraw/zinc/44/74/85/336447485.db2.gz CWWXFDWRCTYBDQ-GOSISDBHSA-N 1 0 316.807 5.004 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000353911813 336447478 /nfs/dbraw/zinc/44/74/78/336447478.db2.gz CWWXFDWRCTYBDQ-SFHVURJKSA-N 1 0 316.807 5.004 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1 ZINC000353913999 336447656 /nfs/dbraw/zinc/44/76/56/336447656.db2.gz JTQJFPXPKQYZQG-GOSISDBHSA-N 1 0 314.379 5.149 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1cccc(Cl)c1F)c1ccccc1 ZINC000353916263 336448120 /nfs/dbraw/zinc/44/81/20/336448120.db2.gz PPYBEGCDVPBYTH-KRWDZBQOSA-N 1 0 316.807 5.004 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1cccc(Cl)c1F)c1ccccc1 ZINC000353916265 336448098 /nfs/dbraw/zinc/44/80/98/336448098.db2.gz PPYBEGCDVPBYTH-QGZVFWFLSA-N 1 0 316.807 5.004 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1csc2ccccc12)c1ccccc1 ZINC000353916516 336447997 /nfs/dbraw/zinc/44/79/97/336447997.db2.gz QKKOFXZXMDEJLF-IBGZPJMESA-N 1 0 320.461 5.426 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1csc2ccccc12)c1ccccc1 ZINC000353916525 336447988 /nfs/dbraw/zinc/44/79/88/336447988.db2.gz QKKOFXZXMDEJLF-LJQANCHMSA-N 1 0 320.461 5.426 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000353916630 336448089 /nfs/dbraw/zinc/44/80/89/336448089.db2.gz QXIXEODOOBTYRI-SFHVURJKSA-N 1 0 316.807 5.004 20 30 DKEDRO Cc1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)ccc1Cl ZINC000353918625 336448164 /nfs/dbraw/zinc/44/81/64/336448164.db2.gz ZGLQDTAUWSKRPR-IBGZPJMESA-N 1 0 312.844 5.173 20 30 DKEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)CCC2 ZINC000358336078 336624636 /nfs/dbraw/zinc/62/46/36/336624636.db2.gz CAQQMRDIIKFMGB-LEWJYISDSA-N 1 0 304.437 5.007 20 30 DKEDRO Cc1cc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc(C)c1F ZINC000358336082 336624638 /nfs/dbraw/zinc/62/46/38/336624638.db2.gz CBRSIPXGEAFNMY-APWZRJJASA-N 1 0 310.416 5.138 20 30 DKEDRO Cc1cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc(C)c1F ZINC000358336083 336624634 /nfs/dbraw/zinc/62/46/34/336624634.db2.gz CBRSIPXGEAFNMY-LPHOPBHVSA-N 1 0 310.416 5.138 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000358340375 336624867 /nfs/dbraw/zinc/62/48/67/336624867.db2.gz KUUPEDBUDSFKRD-OALUTQOASA-N 1 0 312.844 5.426 20 30 DKEDRO CCc1ccc([C@@H](CC)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000358340934 336624863 /nfs/dbraw/zinc/62/48/63/336624863.db2.gz MZSUJDDOMWLQDW-RTWAWAEBSA-N 1 0 306.453 5.335 20 30 DKEDRO CCc1ccc([C@H](CC)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000358340936 336624809 /nfs/dbraw/zinc/62/48/09/336624809.db2.gz MZSUJDDOMWLQDW-SFTDATJTSA-N 1 0 306.453 5.335 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000358344683 336625175 /nfs/dbraw/zinc/62/51/75/336625175.db2.gz XDYFMXUIXNESCI-OALUTQOASA-N 1 0 312.844 5.426 20 30 DKEDRO CCSc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000358345847 336625164 /nfs/dbraw/zinc/62/51/64/336625164.db2.gz PKXOJMJPJQWHCT-OXJNMPFZSA-N 1 0 324.493 5.494 20 30 DKEDRO C[C@@H]1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000358350154 336625511 /nfs/dbraw/zinc/62/55/11/336625511.db2.gz ZOUIISCCCSQVPI-CZAAIQMYSA-N 1 0 304.437 5.260 20 30 DKEDRO C[C@@H]1CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000358350162 336625532 /nfs/dbraw/zinc/62/55/32/336625532.db2.gz ZOUIISCCCSQVPI-HBGVWJBISA-N 1 0 304.437 5.260 20 30 DKEDRO C[C@@H]1CC[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000358350165 336625599 /nfs/dbraw/zinc/62/55/99/336625599.db2.gz ZOUIISCCCSQVPI-MAODMQOUSA-N 1 0 304.437 5.260 20 30 DKEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(-c2ccncc2)cc1 ZINC000366776510 334543136 /nfs/dbraw/zinc/54/31/36/334543136.db2.gz MKROYICSOCLSIZ-QGZVFWFLSA-N 1 0 321.468 5.119 20 30 DKEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc3ccccc32)cc1 ZINC000391732543 335085371 /nfs/dbraw/zinc/08/53/71/335085371.db2.gz DYUJTODEJCISNU-KRWDZBQOSA-N 1 0 317.432 5.255 20 30 DKEDRO CC1(C#N)CCC([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414253485 333921342 /nfs/dbraw/zinc/92/13/42/333921342.db2.gz ZIZXEQKKBNYMMA-BARLLCKDSA-N 1 0 316.876 5.038 20 30 DKEDRO CC1(C#N)CCC([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414253498 333921360 /nfs/dbraw/zinc/92/13/60/333921360.db2.gz ZIZXEQKKBNYMMA-IZIZEDOESA-N 1 0 316.876 5.038 20 30 DKEDRO CC1(C#N)CCC([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414253501 333921355 /nfs/dbraw/zinc/92/13/55/333921355.db2.gz ZIZXEQKKBNYMMA-WEOZKBJRSA-N 1 0 316.876 5.038 20 30 DKEDRO CC1(C#N)CCC([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414253503 333921403 /nfs/dbraw/zinc/92/14/03/333921403.db2.gz ZIZXEQKKBNYMMA-ZTRSQXPZSA-N 1 0 316.876 5.038 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417348788 334706223 /nfs/dbraw/zinc/70/62/23/334706223.db2.gz JORKPFPOBJHUHR-LULLPPNCSA-N 1 0 324.493 5.265 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417348789 334706227 /nfs/dbraw/zinc/70/62/27/334706227.db2.gz JORKPFPOBJHUHR-QXCFHYIPSA-N 1 0 324.493 5.265 20 30 DKEDRO CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417354927 334707104 /nfs/dbraw/zinc/70/71/04/334707104.db2.gz AELAIHCEEAKYJY-AUUYWEPGSA-N 1 0 322.477 5.008 20 30 DKEDRO CSc1ccccc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417354937 334707034 /nfs/dbraw/zinc/70/70/34/334707034.db2.gz AELAIHCEEAKYJY-IFXJQAMLSA-N 1 0 322.477 5.008 20 30 DKEDRO CSc1ccccc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417354938 334707107 /nfs/dbraw/zinc/70/71/07/334707107.db2.gz AELAIHCEEAKYJY-KUHUBIRLSA-N 1 0 322.477 5.008 20 30 DKEDRO CSc1ccccc1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417354939 334707208 /nfs/dbraw/zinc/70/72/08/334707208.db2.gz AELAIHCEEAKYJY-LIRRHRJNSA-N 1 0 322.477 5.008 20 30 DKEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1csc(Cl)c1 ZINC000417375576 334765190 /nfs/dbraw/zinc/76/51/90/334765190.db2.gz ZGTVMEFLTMRFRK-BDJLRTHQSA-N 1 0 316.857 5.001 20 30 DKEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1csc(Cl)c1 ZINC000417375578 334765282 /nfs/dbraw/zinc/76/52/82/334765282.db2.gz ZGTVMEFLTMRFRK-MEDUHNTESA-N 1 0 316.857 5.001 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)c1ccccc1 ZINC000421831305 337647835 /nfs/dbraw/zinc/64/78/35/337647835.db2.gz DSGGGRZEOMSRCU-KBXCAEBGSA-N 1 0 300.833 5.093 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccncc1Cl)c1ccccc1 ZINC000421831312 337647810 /nfs/dbraw/zinc/64/78/10/337647810.db2.gz DSGGGRZEOMSRCU-KDOFPFPSSA-N 1 0 300.833 5.093 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccncc1Cl)c1ccccc1 ZINC000421831313 337647773 /nfs/dbraw/zinc/64/77/73/337647773.db2.gz DSGGGRZEOMSRCU-KSSFIOAISA-N 1 0 300.833 5.093 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccncc1Cl)c1ccccc1 ZINC000421831315 337647819 /nfs/dbraw/zinc/64/78/19/337647819.db2.gz DSGGGRZEOMSRCU-RDTXWAMCSA-N 1 0 300.833 5.093 20 30 DKEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)s1 ZINC000421887052 337655102 /nfs/dbraw/zinc/65/51/02/337655102.db2.gz SGMHJNLPKZLKQO-MRXNPFEDSA-N 1 0 324.474 5.002 20 30 DKEDRO Cc1ccc2cc([C@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)oc2c1 ZINC000425929040 334772274 /nfs/dbraw/zinc/77/22/74/334772274.db2.gz LZHKBOXLNHJBDM-CABCVRRESA-N 1 0 304.393 5.025 20 30 DKEDRO Cc1ccc2cc([C@H](C)[NH2+][C@@H](CCC#N)c3ccccc3)oc2c1 ZINC000426014782 334901646 /nfs/dbraw/zinc/90/16/46/334901646.db2.gz DLBKWJCFBKOLQP-LPHOPBHVSA-N 1 0 318.420 5.437 20 30 DKEDRO Cc1ccc2cc([C@H](C)[NH2+][C@H](CCC#N)c3ccccc3)oc2c1 ZINC000426014784 334901644 /nfs/dbraw/zinc/90/16/44/334901644.db2.gz DLBKWJCFBKOLQP-QFBILLFUSA-N 1 0 318.420 5.437 20 30 DKEDRO Cc1ccc2cc([C@@H](C)[NH2+][C@H](CCC#N)c3ccccc3)oc2c1 ZINC000426014786 334901586 /nfs/dbraw/zinc/90/15/86/334901586.db2.gz DLBKWJCFBKOLQP-VQIMIIECSA-N 1 0 318.420 5.437 20 30 DKEDRO C[C@@H]([NH2+][C@H]1CCCc2sc(Cl)cc21)c1cccc(C#N)c1 ZINC000426321379 338026710 /nfs/dbraw/zinc/02/67/10/338026710.db2.gz CLMHKIMMAQQSJR-ABAIWWIYSA-N 1 0 316.857 5.001 20 30 DKEDRO C[C@@H]([NH2+][C@@H]1CCCc2sc(Cl)cc21)c1cccc(C#N)c1 ZINC000426321380 338026946 /nfs/dbraw/zinc/02/69/46/338026946.db2.gz CLMHKIMMAQQSJR-IAQYHMDHSA-N 1 0 316.857 5.001 20 30 DKEDRO C[C@H]([NH2+][C@H]1CCCc2sc(Cl)cc21)c1cccc(C#N)c1 ZINC000426321381 338026849 /nfs/dbraw/zinc/02/68/49/338026849.db2.gz CLMHKIMMAQQSJR-NHYWBVRUSA-N 1 0 316.857 5.001 20 30 DKEDRO C[C@H]([NH2+][C@@H]1CCCc2sc(Cl)cc21)c1cccc(C#N)c1 ZINC000426321382 338026875 /nfs/dbraw/zinc/02/68/75/338026875.db2.gz CLMHKIMMAQQSJR-XHDPSFHLSA-N 1 0 316.857 5.001 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1cccc(SCC)c1)c1ccco1 ZINC000426348747 338028384 /nfs/dbraw/zinc/02/83/84/338028384.db2.gz BXGSNICFLKRDLT-KRWDZBQOSA-N 1 0 301.455 5.189 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1cccc(SCC)c1)c1ccco1 ZINC000426348748 338028237 /nfs/dbraw/zinc/02/82/37/338028237.db2.gz BXGSNICFLKRDLT-QGZVFWFLSA-N 1 0 301.455 5.189 20 30 DKEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)CC2 ZINC000427865331 332549098 /nfs/dbraw/zinc/54/90/98/332549098.db2.gz NIQSNPDOJKUSPX-SPLOXXLWSA-N 1 0 322.427 5.159 20 30 DKEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000427870200 332551364 /nfs/dbraw/zinc/55/13/64/332551364.db2.gz ZBLFFRLSIGNGSO-BTYIYWSLSA-N 1 0 304.437 5.020 20 30 DKEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CC2 ZINC000427870204 332551344 /nfs/dbraw/zinc/55/13/44/332551344.db2.gz ZBLFFRLSIGNGSO-VFNWGFHPSA-N 1 0 304.437 5.020 20 30 DKEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000427870206 332551467 /nfs/dbraw/zinc/55/14/67/332551467.db2.gz ZBLFFRLSIGNGSO-YCRPNKLZSA-N 1 0 304.437 5.020 20 30 DKEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CC2 ZINC000427870572 332551359 /nfs/dbraw/zinc/55/13/59/332551359.db2.gz VMMLVCBLWAGRPG-LHSJRXKWSA-N 1 0 322.427 5.159 20 30 DKEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)CC2 ZINC000427870578 332551373 /nfs/dbraw/zinc/55/13/73/332551373.db2.gz VMMLVCBLWAGRPG-SZNDQCEHSA-N 1 0 322.427 5.159 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)c1cccc(C#N)c1 ZINC000427871674 332550923 /nfs/dbraw/zinc/55/09/23/332550923.db2.gz IIVXNJPQSBCNHK-RYUDHWBXSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc(Cl)ccc1Cl ZINC000427874783 332551953 /nfs/dbraw/zinc/55/19/53/332551953.db2.gz IIVXNJPQSBCNHK-NWDGAFQWSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1Cl)c1cccc(C#N)c1 ZINC000427874786 332551949 /nfs/dbraw/zinc/55/19/49/332551949.db2.gz IIVXNJPQSBCNHK-VXGBXAGGSA-N 1 0 319.235 5.277 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccc(F)cc1CSC)c1ccco1 ZINC000428461384 338053362 /nfs/dbraw/zinc/05/33/62/338053362.db2.gz PTZCTUKRBHCXNW-KRWDZBQOSA-N 1 0 319.445 5.079 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc(F)cc1CSC)c1ccco1 ZINC000428461390 338053281 /nfs/dbraw/zinc/05/32/81/338053281.db2.gz PTZCTUKRBHCXNW-QGZVFWFLSA-N 1 0 319.445 5.079 20 30 DKEDRO Cc1cc(F)ccc1C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000428734109 338059977 /nfs/dbraw/zinc/05/99/77/338059977.db2.gz YIZCGJHWCMILSE-UHFFFAOYSA-N 1 0 316.464 5.034 20 30 DKEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(SC2CCCC2)cc1 ZINC000430745781 338113015 /nfs/dbraw/zinc/11/30/15/338113015.db2.gz FKJVRBQYCQDMHC-HNNXBMFYSA-N 1 0 314.498 5.066 20 30 DKEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(SC2CCCC2)cc1 ZINC000430745784 338113040 /nfs/dbraw/zinc/11/30/40/338113040.db2.gz FKJVRBQYCQDMHC-OAHLLOKOSA-N 1 0 314.498 5.066 20 30 DKEDRO N#CCCCC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000432406713 338155001 /nfs/dbraw/zinc/15/50/01/338155001.db2.gz IJJYXVHWCYFBNO-UHFFFAOYSA-N 1 0 324.390 5.015 20 30 DKEDRO Cc1cc(C)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433014119 338176323 /nfs/dbraw/zinc/17/63/23/338176323.db2.gz QWUUNYBPLXMYDZ-NRFANRHFSA-N 1 0 306.453 5.137 20 30 DKEDRO Cc1cc(C)c(C[NH2+][C@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433014120 338176259 /nfs/dbraw/zinc/17/62/59/338176259.db2.gz QWUUNYBPLXMYDZ-OAQYLSRUSA-N 1 0 306.453 5.137 20 30 DKEDRO N#CCCC[C@H]([NH2+]CCCCc1ccccc1)c1ccccc1 ZINC000433019195 338176631 /nfs/dbraw/zinc/17/66/31/338176631.db2.gz MAMIWRCEKWOWHE-NRFANRHFSA-N 1 0 306.453 5.034 20 30 DKEDRO N#CCCC[C@@H]([NH2+]CCCCc1ccccc1)c1ccccc1 ZINC000433019198 338176595 /nfs/dbraw/zinc/17/65/95/338176595.db2.gz MAMIWRCEKWOWHE-OAQYLSRUSA-N 1 0 306.453 5.034 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000433021146 338176810 /nfs/dbraw/zinc/17/68/10/338176810.db2.gz VXIUCPSLSCNESX-GOSISDBHSA-N 1 0 316.807 5.004 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000433021147 338176798 /nfs/dbraw/zinc/17/67/98/338176798.db2.gz VXIUCPSLSCNESX-SFHVURJKSA-N 1 0 316.807 5.004 20 30 DKEDRO N#CCCC[C@H]([NH2+]CCSC1CCCCC1)c1ccccc1 ZINC000433021173 338176778 /nfs/dbraw/zinc/17/67/78/338176778.db2.gz WBVYIDKXASYRGB-IBGZPJMESA-N 1 0 316.514 5.077 20 30 DKEDRO N#CCCC[C@@H]([NH2+]CCSC1CCCCC1)c1ccccc1 ZINC000433021174 338176730 /nfs/dbraw/zinc/17/67/30/338176730.db2.gz WBVYIDKXASYRGB-LJQANCHMSA-N 1 0 316.514 5.077 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000433022109 338176689 /nfs/dbraw/zinc/17/66/89/338176689.db2.gz TVPMCZCPVHQGOV-GOSISDBHSA-N 1 0 314.379 5.149 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000433022112 338176710 /nfs/dbraw/zinc/17/67/10/338176710.db2.gz TVPMCZCPVHQGOV-SFHVURJKSA-N 1 0 314.379 5.149 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1cc(F)ccc1Cl)c1ccccc1 ZINC000433027752 338177184 /nfs/dbraw/zinc/17/71/84/338177184.db2.gz WSPYSQSXJPDLJZ-GOSISDBHSA-N 1 0 316.807 5.004 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1cc(F)ccc1Cl)c1ccccc1 ZINC000433027753 338177242 /nfs/dbraw/zinc/17/72/42/338177242.db2.gz WSPYSQSXJPDLJZ-SFHVURJKSA-N 1 0 316.807 5.004 20 30 DKEDRO CC(C)(C#N)CCC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000434903796 338227465 /nfs/dbraw/zinc/22/74/65/338227465.db2.gz BZGRCTUGLYACAT-UHFFFAOYSA-N 1 0 320.427 5.039 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436282635 338265622 /nfs/dbraw/zinc/26/56/22/338265622.db2.gz HWYBPFXKJKOZAZ-IBGZPJMESA-N 1 0 308.400 5.104 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436282636 338265699 /nfs/dbraw/zinc/26/56/99/338265699.db2.gz HWYBPFXKJKOZAZ-LJQANCHMSA-N 1 0 308.400 5.104 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccc2nc(C)ccc2c1)c1ccccc1 ZINC000437773774 338320808 /nfs/dbraw/zinc/32/08/08/338320808.db2.gz JZKHPLFSPITMBB-NRFANRHFSA-N 1 0 316.448 5.340 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc2nc(C)ccc2c1)c1ccccc1 ZINC000437773777 338320777 /nfs/dbraw/zinc/32/07/77/338320777.db2.gz JZKHPLFSPITMBB-OAQYLSRUSA-N 1 0 316.448 5.340 20 30 DKEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 ZINC000439426754 338369016 /nfs/dbraw/zinc/36/90/16/338369016.db2.gz BYCIOQHAYKFZTO-KRWDZBQOSA-N 1 0 319.235 5.106 20 30 DKEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 ZINC000439426765 338369112 /nfs/dbraw/zinc/36/91/12/338369112.db2.gz BYCIOQHAYKFZTO-QGZVFWFLSA-N 1 0 319.235 5.106 20 30 DKEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000439433035 338369288 /nfs/dbraw/zinc/36/92/88/338369288.db2.gz XZIJSZVKOSRELI-KRWDZBQOSA-N 1 0 319.235 5.106 20 30 DKEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000439433036 338369326 /nfs/dbraw/zinc/36/93/26/338369326.db2.gz XZIJSZVKOSRELI-QGZVFWFLSA-N 1 0 319.235 5.106 20 30 DKEDRO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccs1 ZINC000439433133 338369206 /nfs/dbraw/zinc/36/92/06/338369206.db2.gz ALRREOPIGKQTQE-INIZCTEOSA-N 1 0 318.873 5.150 20 30 DKEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccs1 ZINC000439433134 338369308 /nfs/dbraw/zinc/36/93/08/338369308.db2.gz ALRREOPIGKQTQE-MRXNPFEDSA-N 1 0 318.873 5.150 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000439434838 338369204 /nfs/dbraw/zinc/36/92/04/338369204.db2.gz UABDMTCQCWMTFR-IBGZPJMESA-N 1 0 310.828 5.009 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000439434947 338369296 /nfs/dbraw/zinc/36/92/96/338369296.db2.gz UABDMTCQCWMTFR-LJQANCHMSA-N 1 0 310.828 5.009 20 30 DKEDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000439444419 338369697 /nfs/dbraw/zinc/36/96/97/338369697.db2.gz UTYQDSDBMROZGA-GOSISDBHSA-N 1 0 312.844 5.089 20 30 DKEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000439444431 338369629 /nfs/dbraw/zinc/36/96/29/338369629.db2.gz UTYQDSDBMROZGA-SFHVURJKSA-N 1 0 312.844 5.089 20 30 DKEDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)C(C)C ZINC000439450400 338369841 /nfs/dbraw/zinc/36/98/41/338369841.db2.gz KSOPDGWTOGYPCB-IBGZPJMESA-N 1 0 312.844 5.007 20 30 DKEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc2ccccc21 ZINC000439461355 334180563 /nfs/dbraw/zinc/18/05/63/334180563.db2.gz ZZGHEKJOHSVTEY-AWEZNQCLSA-N 1 0 320.823 5.216 20 30 DKEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc2ccccc21 ZINC000439461357 334180530 /nfs/dbraw/zinc/18/05/30/334180530.db2.gz ZZGHEKJOHSVTEY-CQSZACIVSA-N 1 0 320.823 5.216 20 30 DKEDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1 ZINC000439466538 338370312 /nfs/dbraw/zinc/37/03/12/338370312.db2.gz HPLNZXYEYDPYOY-OAHLLOKOSA-N 1 0 324.493 5.060 20 30 DKEDRO CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCCCC#N)o2)cc1 ZINC000439475301 338370826 /nfs/dbraw/zinc/37/08/26/338370826.db2.gz OOKHXIHWJHXRPQ-UHFFFAOYSA-N 1 0 310.441 5.028 20 30 DKEDRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000440626197 338393042 /nfs/dbraw/zinc/39/30/42/338393042.db2.gz NMDNCKZGJPNYTB-HNNXBMFYSA-N 1 0 324.493 5.060 20 30 DKEDRO N#CC1CCC(C[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000441377820 334709202 /nfs/dbraw/zinc/70/92/02/334709202.db2.gz GRXAYKYIZYZFGU-FMFRFZGHSA-N 1 0 310.485 5.022 20 30 DKEDRO CCCc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccs2)cc1 ZINC000442640018 338426488 /nfs/dbraw/zinc/42/64/88/338426488.db2.gz ZIZARMWGGFGMQN-HQRMLTQVSA-N 1 0 324.493 5.072 20 30 DKEDRO N#CC1CCC(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)CC1 ZINC000442848183 338434358 /nfs/dbraw/zinc/43/43/58/338434358.db2.gz AABKGPNOTKJCQK-JTTJXQCZSA-N 1 0 324.493 5.198 20 30 DKEDRO CC(C)Sc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442848671 338434406 /nfs/dbraw/zinc/43/44/06/338434406.db2.gz AVOXVTZXDZOJRF-GTPINHCMSA-N 1 0 316.514 5.168 20 30 DKEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442848674 338434403 /nfs/dbraw/zinc/43/44/03/338434403.db2.gz AVOXVTZXDZOJRF-KLAILNCOSA-N 1 0 316.514 5.168 20 30 DKEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(-c2cccs2)cc1 ZINC000442849808 338434547 /nfs/dbraw/zinc/43/45/47/338434547.db2.gz CPSAUEJBKSJHCG-GTPINHCMSA-N 1 0 324.493 5.396 20 30 DKEDRO CC(C)(C)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442852375 338434818 /nfs/dbraw/zinc/43/48/18/338434818.db2.gz XWYPAPNDVHLQMC-DAXOMENPSA-N 1 0 324.390 5.074 20 30 DKEDRO CC(C)(C)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442852377 338434881 /nfs/dbraw/zinc/43/48/81/338434881.db2.gz XWYPAPNDVHLQMC-VBNZEHGJSA-N 1 0 324.390 5.074 20 30 DKEDRO Cc1cc2cc([C@@H](C)[NH2+]CC3CCC(C#N)CC3)oc2cc1C ZINC000442864604 335644033 /nfs/dbraw/zinc/64/40/33/335644033.db2.gz GJXOJMMCTRIFEA-KLAILNCOSA-N 1 0 310.441 5.030 20 30 DKEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Cl)sc1Cl ZINC000442865615 338436110 /nfs/dbraw/zinc/43/61/10/338436110.db2.gz IONMFJKLKXFDTK-WHXUTIOJSA-N 1 0 317.285 5.035 20 30 DKEDRO N#CC1CCC(C[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000442866232 338436121 /nfs/dbraw/zinc/43/61/21/338436121.db2.gz KNZSEMLYTRGIHN-LADRWXRNSA-N 1 0 316.876 5.101 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1SC)c1ccc(C#N)cc1 ZINC000442867557 338436273 /nfs/dbraw/zinc/43/62/73/338436273.db2.gz YYURRVZFFPWYJZ-KBXCAEBGSA-N 1 0 310.466 5.082 20 30 DKEDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1SC)c1ccc(C#N)cc1 ZINC000442867558 338436213 /nfs/dbraw/zinc/43/62/13/338436213.db2.gz YYURRVZFFPWYJZ-KSSFIOAISA-N 1 0 310.466 5.082 20 30 DKEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc2cc(Cl)ccc2o1 ZINC000442867694 338436231 /nfs/dbraw/zinc/43/62/31/338436231.db2.gz MAKDHUZAUCEJKU-HSBZDZAISA-N 1 0 316.832 5.067 20 30 DKEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc2cc(Cl)ccc2o1 ZINC000442867696 338436255 /nfs/dbraw/zinc/43/62/55/338436255.db2.gz MAKDHUZAUCEJKU-IYXRBSQSSA-N 1 0 316.832 5.067 20 30 DKEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(-c2ccccc2)s1 ZINC000442868743 338436351 /nfs/dbraw/zinc/43/63/51/338436351.db2.gz RIOCXVAXIMHMNG-GTPINHCMSA-N 1 0 324.493 5.396 20 30 DKEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(-c2ccccc2)s1 ZINC000442868745 338436434 /nfs/dbraw/zinc/43/64/34/338436434.db2.gz RIOCXVAXIMHMNG-KLAILNCOSA-N 1 0 324.493 5.396 20 30 DKEDRO CC(C)[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc2ccccc2o1 ZINC000442871294 338436681 /nfs/dbraw/zinc/43/66/81/338436681.db2.gz FIAHRZHTTLXXGZ-ALLBUHFWSA-N 1 0 310.441 5.049 20 30 DKEDRO CC(C)[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc2ccccc2o1 ZINC000442871297 338436707 /nfs/dbraw/zinc/43/67/07/338436707.db2.gz FIAHRZHTTLXXGZ-PMTKGXAQSA-N 1 0 310.441 5.049 20 30 DKEDRO CC(C)(C#N)CCCC[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000444597185 338476061 /nfs/dbraw/zinc/47/60/61/338476061.db2.gz NEPJDAMOESVCAF-UHFFFAOYSA-N 1 0 323.484 5.067 20 30 DKEDRO CC(C)(C)[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(F)cc1 ZINC000444652239 338479117 /nfs/dbraw/zinc/47/91/17/338479117.db2.gz XIDNWKSHGXAODS-QGZVFWFLSA-N 1 0 304.453 5.223 20 30 DKEDRO CC(C)(C#N)CCCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000444660869 338479765 /nfs/dbraw/zinc/47/97/65/338479765.db2.gz SQMJKLWADPJQPB-UHFFFAOYSA-N 1 0 324.390 5.004 20 30 DKEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000444668607 338480719 /nfs/dbraw/zinc/48/07/19/338480719.db2.gz VXAVBZFFKAJGAZ-FQEVSTJZSA-N 1 0 324.443 5.225 20 30 DKEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000444668612 338480538 /nfs/dbraw/zinc/48/05/38/338480538.db2.gz VXAVBZFFKAJGAZ-HXUWFJFHSA-N 1 0 324.443 5.225 20 30 DKEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1C(F)(F)F ZINC000444670935 332696343 /nfs/dbraw/zinc/69/63/43/332696343.db2.gz HCELHBMKZOOHOW-ZDUSSCGKSA-N 1 0 312.379 5.076 20 30 DKEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cc(Cl)ccc1Cl ZINC000444670994 338480814 /nfs/dbraw/zinc/48/08/14/338480814.db2.gz CGLWIGKEJBXKEW-GFCCVEGCSA-N 1 0 313.272 5.364 20 30 DKEDRO CCC[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(F)cc1F ZINC000444677728 517613193 /nfs/dbraw/zinc/61/31/93/517613193.db2.gz URTLGINZDMEOKR-KRWDZBQOSA-N 1 0 308.416 5.116 20 30 DKEDRO CCC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(F)cc1F ZINC000444677733 332696859 /nfs/dbraw/zinc/69/68/59/332696859.db2.gz URTLGINZDMEOKR-QGZVFWFLSA-N 1 0 308.416 5.116 20 30 DKEDRO CC(C)Sc1ccc([C@H](C)[NH2+]CCCCC(C)(C)C#N)cc1 ZINC000444678082 338481729 /nfs/dbraw/zinc/48/17/29/338481729.db2.gz VRWBLXNSPORQSV-INIZCTEOSA-N 1 0 318.530 5.558 20 30 DKEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)cc1 ZINC000444678083 338481689 /nfs/dbraw/zinc/48/16/89/338481689.db2.gz VRWBLXNSPORQSV-MRXNPFEDSA-N 1 0 318.530 5.558 20 30 DKEDRO CC[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1OC(F)F ZINC000444678189 338481688 /nfs/dbraw/zinc/48/16/88/338481688.db2.gz YJBITXCCPQAVHU-HNNXBMFYSA-N 1 0 324.415 5.049 20 30 DKEDRO CC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1OC(F)F ZINC000444678200 338481721 /nfs/dbraw/zinc/48/17/21/338481721.db2.gz YJBITXCCPQAVHU-OAHLLOKOSA-N 1 0 324.415 5.049 20 30 DKEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cc2ccccc2s1 ZINC000444678346 332697699 /nfs/dbraw/zinc/69/76/99/332697699.db2.gz WIJFMTAKFQLAAF-CQSZACIVSA-N 1 0 300.471 5.272 20 30 DKEDRO CCSc1ccc([C@H](C)[NH2+]CCCCC(C)(C)C#N)cc1 ZINC000444679795 338481901 /nfs/dbraw/zinc/48/19/01/338481901.db2.gz CJADXRKMSLQRJP-HNNXBMFYSA-N 1 0 304.503 5.169 20 30 DKEDRO CCSc1ccc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)cc1 ZINC000444679796 338481835 /nfs/dbraw/zinc/48/18/35/338481835.db2.gz CJADXRKMSLQRJP-OAHLLOKOSA-N 1 0 304.503 5.169 20 30 DKEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(Cl)c1Cl ZINC000444683348 338482016 /nfs/dbraw/zinc/48/20/16/338482016.db2.gz GAGYIDRTDFZYJL-GFCCVEGCSA-N 1 0 313.272 5.364 20 30 DKEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(Cl)c1Cl ZINC000444683349 338482008 /nfs/dbraw/zinc/48/20/08/338482008.db2.gz GAGYIDRTDFZYJL-LBPRGKRZSA-N 1 0 313.272 5.364 20 30 DKEDRO CC(C)(C#N)CCCC[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000444684237 338482289 /nfs/dbraw/zinc/48/22/89/338482289.db2.gz IYSJLDOQINHRPR-UHFFFAOYSA-N 1 0 320.480 5.260 20 30 DKEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000444687889 338482644 /nfs/dbraw/zinc/48/26/44/338482644.db2.gz WWNHFTSOVBFJEV-CYBMUJFWSA-N 1 0 312.379 5.076 20 30 DKEDRO CC[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447512023 338553263 /nfs/dbraw/zinc/55/32/63/338553263.db2.gz WPTJPMFVYIUGIB-VQTJNVASSA-N 1 0 324.855 5.404 20 30 DKEDRO CC[C@H]([NH2+][C@@H](c1ccc(OC)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000447513663 338553399 /nfs/dbraw/zinc/55/33/99/338553399.db2.gz YAGRNTFQFIWCSQ-LEWJYISDSA-N 1 0 322.452 5.005 20 30 DKEDRO CC[C@H]([NH2+][C@H](c1ccc(OC)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000447513666 338553396 /nfs/dbraw/zinc/55/33/96/338553396.db2.gz YAGRNTFQFIWCSQ-SFTDATJTSA-N 1 0 322.452 5.005 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1ccc(C#N)cc1 ZINC000447517592 338553587 /nfs/dbraw/zinc/55/35/87/338553587.db2.gz SWQTUIIFNSSMAQ-KBXCAEBGSA-N 1 0 304.393 5.106 20 30 DKEDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000447520046 338553701 /nfs/dbraw/zinc/55/37/01/338553701.db2.gz SAFYGGKAKDHODZ-QGZVFWFLSA-N 1 0 319.235 5.106 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000447525569 338553942 /nfs/dbraw/zinc/55/39/42/338553942.db2.gz ARAIATSKDGGPDP-KBXCAEBGSA-N 1 0 320.461 5.575 20 30 DKEDRO CC[C@H]([NH2+][C@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000447525570 338553984 /nfs/dbraw/zinc/55/39/84/338553984.db2.gz ARAIATSKDGGPDP-KDOFPFPSSA-N 1 0 320.461 5.575 20 30 DKEDRO CC[C@H]([NH2+][C@@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000447525571 338553896 /nfs/dbraw/zinc/55/38/96/338553896.db2.gz ARAIATSKDGGPDP-KSSFIOAISA-N 1 0 320.461 5.575 20 30 DKEDRO CC[C@@H]([NH2+][C@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000447525572 338553964 /nfs/dbraw/zinc/55/39/64/338553964.db2.gz ARAIATSKDGGPDP-RDTXWAMCSA-N 1 0 320.461 5.575 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(Cl)s1)c1ccc(C#N)cc1 ZINC000447526011 338553881 /nfs/dbraw/zinc/55/38/81/338553881.db2.gz BSRSNJWATAMUPI-CABCVRRESA-N 1 0 318.873 5.465 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000447526012 338553962 /nfs/dbraw/zinc/55/39/62/338553962.db2.gz BSRSNJWATAMUPI-GJZGRUSLSA-N 1 0 318.873 5.465 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000447526013 338553971 /nfs/dbraw/zinc/55/39/71/338553971.db2.gz BSRSNJWATAMUPI-HUUCEWRRSA-N 1 0 318.873 5.465 20 30 DKEDRO CC[C@H]([NH2+][C@@H](c1ccccc1C)C1CC1)c1ccc(C#N)cc1 ZINC000447526553 338553888 /nfs/dbraw/zinc/55/38/88/338553888.db2.gz CXBNMMIZFPNZEV-LEWJYISDSA-N 1 0 304.437 5.059 20 30 DKEDRO CC[C@@H]([NH2+][C@H](c1ccccc1C)C1CC1)c1ccc(C#N)cc1 ZINC000447526555 338553952 /nfs/dbraw/zinc/55/39/52/338553952.db2.gz CXBNMMIZFPNZEV-RTWAWAEBSA-N 1 0 304.437 5.059 20 30 DKEDRO CC[C@H]([NH2+][C@H](c1ccccc1C)C1CC1)c1ccc(C#N)cc1 ZINC000447526556 338553924 /nfs/dbraw/zinc/55/39/24/338553924.db2.gz CXBNMMIZFPNZEV-SFTDATJTSA-N 1 0 304.437 5.059 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CC(C)C)c1cccs1)c1ccc(C#N)cc1 ZINC000447527678 338554113 /nfs/dbraw/zinc/55/41/13/338554113.db2.gz FRZJYGCVYJVFLN-QZTJIDSGSA-N 1 0 312.482 5.448 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CC(C)C)c1cccs1)c1ccc(C#N)cc1 ZINC000447527680 338554087 /nfs/dbraw/zinc/55/40/87/338554087.db2.gz FRZJYGCVYJVFLN-ROUUACIJSA-N 1 0 312.482 5.448 20 30 DKEDRO CC[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)c1ccc(C#N)cc1 ZINC000447528944 338554260 /nfs/dbraw/zinc/55/42/60/338554260.db2.gz IXSSLGFVBGGQAK-RTWAWAEBSA-N 1 0 322.427 5.279 20 30 DKEDRO CC[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1 ZINC000447531394 338554584 /nfs/dbraw/zinc/55/45/84/338554584.db2.gz PTKQGFWOVSUZRY-LEWJYISDSA-N 1 0 304.437 5.140 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1 ZINC000447531496 338554625 /nfs/dbraw/zinc/55/46/25/338554625.db2.gz PTKQGFWOVSUZRY-RTWAWAEBSA-N 1 0 304.437 5.140 20 30 DKEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(OC(C)C)c1)c1ccc(C#N)cc1 ZINC000447538013 338555133 /nfs/dbraw/zinc/55/51/33/338555133.db2.gz AHYYJWZHQFADQS-IIBYNOLFSA-N 1 0 322.452 5.147 20 30 DKEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC(C)C)c1)c1ccc(C#N)cc1 ZINC000447538014 338555137 /nfs/dbraw/zinc/55/51/37/338555137.db2.gz AHYYJWZHQFADQS-KKSFZXQISA-N 1 0 322.452 5.147 20 30 DKEDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000447539382 338555414 /nfs/dbraw/zinc/55/54/14/338555414.db2.gz ADOABYMEPJYDPZ-IWMITWMQSA-N 1 0 304.437 5.093 20 30 DKEDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000447539383 338555456 /nfs/dbraw/zinc/55/54/56/338555456.db2.gz ADOABYMEPJYDPZ-JHVJFLLYSA-N 1 0 304.437 5.093 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000447542047 338555497 /nfs/dbraw/zinc/55/54/97/338555497.db2.gz HZAXFSMKABBRBN-MOPGFXCFSA-N 1 0 312.844 5.404 20 30 DKEDRO CC[C@H]([NH2+][C@@H](CC)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000447542050 338555513 /nfs/dbraw/zinc/55/55/13/338555513.db2.gz HZAXFSMKABBRBN-OALUTQOASA-N 1 0 312.844 5.404 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000447542051 338555487 /nfs/dbraw/zinc/55/54/87/338555487.db2.gz HZAXFSMKABBRBN-RBUKOAKNSA-N 1 0 312.844 5.404 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000447542409 338555716 /nfs/dbraw/zinc/55/57/16/338555716.db2.gz OZXIYKCXSWHZML-RTBURBONSA-N 1 0 314.379 5.028 20 30 DKEDRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000447546766 338556115 /nfs/dbraw/zinc/55/61/15/338556115.db2.gz YQYABJQJDYXAIH-UXHICEINSA-N 1 0 322.452 5.149 20 30 DKEDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000447546768 338555960 /nfs/dbraw/zinc/55/59/60/338555960.db2.gz YQYABJQJDYXAIH-WOJBJXKFSA-N 1 0 322.452 5.149 20 30 DKEDRO CC[C@@H]([NH2+][C@H](c1ccc(C)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447547863 338556187 /nfs/dbraw/zinc/55/61/87/338556187.db2.gz DUIJIQROAOQQJB-NHCUHLMSSA-N 1 0 304.437 5.059 20 30 DKEDRO CC[C@@H]([NH2+]Cc1csc2ccccc12)c1ccc(C#N)cc1 ZINC000447549009 338556227 /nfs/dbraw/zinc/55/62/27/338556227.db2.gz IYKASYBXWSZEIO-GOSISDBHSA-N 1 0 306.434 5.014 20 30 DKEDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000447563366 338557100 /nfs/dbraw/zinc/55/71/00/338557100.db2.gz PPZJSPVNYFGIPZ-FQEVSTJZSA-N 1 0 316.404 5.059 20 30 DKEDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000447563368 338557102 /nfs/dbraw/zinc/55/71/02/338557102.db2.gz PPZJSPVNYFGIPZ-HXUWFJFHSA-N 1 0 316.404 5.059 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1)c1ccc(C#N)cc1 ZINC000447583584 338559114 /nfs/dbraw/zinc/55/91/14/338559114.db2.gz CACWCXIOGOZNNK-NHCUHLMSSA-N 1 0 322.427 5.198 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CC)c1cc(F)ccc1F)c1ccc(C#N)cc1 ZINC000447588541 338559900 /nfs/dbraw/zinc/55/99/00/338559900.db2.gz URPWUNGCFZYAGD-MOPGFXCFSA-N 1 0 314.379 5.028 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000447588545 338559903 /nfs/dbraw/zinc/55/99/03/338559903.db2.gz URPWUNGCFZYAGD-RBUKOAKNSA-N 1 0 314.379 5.028 20 30 DKEDRO CC[C@@H]([NH2+][C@H](CC)c1cc(F)ccc1F)c1ccc(C#N)cc1 ZINC000447588547 338559820 /nfs/dbraw/zinc/55/98/20/338559820.db2.gz URPWUNGCFZYAGD-RTBURBONSA-N 1 0 314.379 5.028 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)c1ccccc1 ZINC000447589610 338560151 /nfs/dbraw/zinc/56/01/51/338560151.db2.gz YOCMKPLJPRKMAC-LEWJYISDSA-N 1 0 304.437 5.306 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](CC)c1ccc(C#N)cc1)c1ccccc1 ZINC000447589611 338560138 /nfs/dbraw/zinc/56/01/38/338560138.db2.gz YOCMKPLJPRKMAC-NHCUHLMSSA-N 1 0 304.437 5.306 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)c1ccccc1 ZINC000447589613 338560020 /nfs/dbraw/zinc/56/00/20/338560020.db2.gz YOCMKPLJPRKMAC-SFTDATJTSA-N 1 0 304.437 5.306 20 30 DKEDRO CC[C@H]([NH2+]Cc1ccc(C2CCC2)cc1)c1ccc(C#N)cc1 ZINC000447592316 338560430 /nfs/dbraw/zinc/56/04/30/338560430.db2.gz KPLRACDHRWBDGZ-NRFANRHFSA-N 1 0 304.437 5.067 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000447899136 338570919 /nfs/dbraw/zinc/57/09/19/338570919.db2.gz QPSLXQHUADYYFO-MRXNPFEDSA-N 1 0 314.498 5.238 20 30 DKEDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000448020059 332178570 /nfs/dbraw/zinc/17/85/70/332178570.db2.gz ADOABYMEPJYDPZ-IPHXSNPTSA-N 1 0 304.437 5.093 20 30 DKEDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)c2ccccc21 ZINC000448024720 332190874 /nfs/dbraw/zinc/19/08/74/332190874.db2.gz ZWKXPVKFHHBOTC-UQIDSAAFSA-N 1 0 322.427 5.233 20 30 DKEDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)c2ccccc21 ZINC000448024721 332191067 /nfs/dbraw/zinc/19/10/67/332191067.db2.gz ZWKXPVKFHHBOTC-YFZFPPMRSA-N 1 0 322.427 5.233 20 30 DKEDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000448027210 332197216 /nfs/dbraw/zinc/19/72/16/332197216.db2.gz LWRDLQUOPOLRAP-IPHXSNPTSA-N 1 0 304.437 5.093 20 30 DKEDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000448027211 332197321 /nfs/dbraw/zinc/19/73/21/332197321.db2.gz LWRDLQUOPOLRAP-IWMITWMQSA-N 1 0 304.437 5.093 20 30 DKEDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C#N)c(F)c2)c2ccccc21 ZINC000448034010 332304887 /nfs/dbraw/zinc/30/48/87/332304887.db2.gz ZKWIWVXGZSIPAN-YFZFPPMRSA-N 1 0 322.427 5.233 20 30 DKEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000449061770 332808389 /nfs/dbraw/zinc/80/83/89/332808389.db2.gz HBEKBZGIXNWZRH-XOMBGVMMSA-N 1 0 311.256 5.116 20 30 DKEDRO CC1(C#N)CCC([NH2+][C@@H](Cc2ccccc2)c2cccs2)CC1 ZINC000449139558 338596408 /nfs/dbraw/zinc/59/64/08/338596408.db2.gz LGZLNVPEOQJWDV-FDYSRKEFSA-N 1 0 324.493 5.094 20 30 DKEDRO CC1(C#N)CCC([NH2+][C@H](Cc2ccccc2)c2cccs2)CC1 ZINC000449139559 338596323 /nfs/dbraw/zinc/59/63/23/338596323.db2.gz LGZLNVPEOQJWDV-QPIRBTGLSA-N 1 0 324.493 5.094 20 30 DKEDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449290223 338609961 /nfs/dbraw/zinc/60/99/61/338609961.db2.gz WQXYVXAZOJHUSN-ARWYELJZSA-N 1 0 324.390 5.051 20 30 DKEDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449290229 338609935 /nfs/dbraw/zinc/60/99/35/338609935.db2.gz WQXYVXAZOJHUSN-WIHSUSGWSA-N 1 0 324.390 5.051 20 30 DKEDRO CC1(C#N)CCC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000449773272 338651567 /nfs/dbraw/zinc/65/15/67/338651567.db2.gz MQNWFXSKBSXQFB-BARLLCKDSA-N 1 0 316.876 5.038 20 30 DKEDRO CC1(C#N)CCC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000449773288 338651543 /nfs/dbraw/zinc/65/15/43/338651543.db2.gz MQNWFXSKBSXQFB-IZIZEDOESA-N 1 0 316.876 5.038 20 30 DKEDRO CC1(C#N)CCC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000449773291 338651553 /nfs/dbraw/zinc/65/15/53/338651553.db2.gz MQNWFXSKBSXQFB-WEOZKBJRSA-N 1 0 316.876 5.038 20 30 DKEDRO Cc1cccc(Cl)c1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000451059205 338719841 /nfs/dbraw/zinc/71/98/41/338719841.db2.gz CILQSAWDTQJBPC-IBGZPJMESA-N 1 0 312.844 5.173 20 30 DKEDRO CC1(C#N)CCC([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000453166799 338801848 /nfs/dbraw/zinc/80/18/48/338801848.db2.gz WNHIUGIZBXWOOM-UHFFFAOYSA-N 1 0 323.267 5.045 20 30 DKEDRO C[C@@H]1CC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)c2sccc21 ZINC000453237015 338812100 /nfs/dbraw/zinc/81/21/00/338812100.db2.gz KXQMGPYSEJFXCY-ATZDWAIDSA-N 1 0 324.493 5.711 20 30 DKEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2ccccc2)s1 ZINC000453287419 338818974 /nfs/dbraw/zinc/81/89/74/338818974.db2.gz FTPDVXNLJXOHAU-VYDXJSESSA-N 1 0 310.466 5.148 20 30 DKEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2ccccc2)s1 ZINC000453287420 338818984 /nfs/dbraw/zinc/81/89/84/338818984.db2.gz FTPDVXNLJXOHAU-ZOBUZTSGSA-N 1 0 310.466 5.148 20 30 DKEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc2c(ccc3ccccc23)o1 ZINC000453287487 338818988 /nfs/dbraw/zinc/81/89/88/338818988.db2.gz GDRPZYXOXMMEBY-VYDXJSESSA-N 1 0 318.420 5.319 20 30 DKEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453287566 338819071 /nfs/dbraw/zinc/81/90/71/338819071.db2.gz GQMXBOSFVHBCSK-GBESFXJTSA-N 1 0 324.493 5.012 20 30 DKEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000453290630 338819502 /nfs/dbraw/zinc/81/95/02/338819502.db2.gz KVGCYFHIFKLJCJ-PZSREKOKSA-N 1 0 323.267 5.116 20 30 DKEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000461089970 339058940 /nfs/dbraw/zinc/05/89/40/339058940.db2.gz RYIZLNIWXIVLOW-PXAZEXFGSA-N 1 0 316.807 5.153 20 30 DKEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000461089971 339058956 /nfs/dbraw/zinc/05/89/56/339058956.db2.gz RYIZLNIWXIVLOW-SJCJKPOMSA-N 1 0 316.807 5.153 20 30 DKEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000461089972 339058978 /nfs/dbraw/zinc/05/89/78/339058978.db2.gz RYIZLNIWXIVLOW-SJKOYZFVSA-N 1 0 316.807 5.153 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000461089973 339059001 /nfs/dbraw/zinc/05/90/01/339059001.db2.gz RYIZLNIWXIVLOW-YVEFUNNKSA-N 1 0 316.807 5.153 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1 ZINC000461373438 339062423 /nfs/dbraw/zinc/06/24/23/339062423.db2.gz NLKFJXHGFIHYEA-GOSISDBHSA-N 1 0 301.380 5.421 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1 ZINC000461373439 339062517 /nfs/dbraw/zinc/06/25/17/339062517.db2.gz NLKFJXHGFIHYEA-SFHVURJKSA-N 1 0 301.380 5.421 20 30 DKEDRO CC[N@H+](Cc1ccc(C(F)F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000461393986 339062826 /nfs/dbraw/zinc/06/28/26/339062826.db2.gz DFLYLDKBLHPMQO-AWEZNQCLSA-N 1 0 314.379 5.079 20 30 DKEDRO CC[N@H+](Cc1ccc(C(F)F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000461393987 333104735 /nfs/dbraw/zinc/10/47/35/333104735.db2.gz DFLYLDKBLHPMQO-CQSZACIVSA-N 1 0 314.379 5.079 20 30 DKEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000462334669 339076020 /nfs/dbraw/zinc/07/60/20/339076020.db2.gz RQPBJOOUTKPPJO-GOSISDBHSA-N 1 0 322.452 5.015 20 30 DKEDRO CC#CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000462334671 339076024 /nfs/dbraw/zinc/07/60/24/339076024.db2.gz RQPBJOOUTKPPJO-SFHVURJKSA-N 1 0 322.452 5.015 20 30 DKEDRO CC(C)(CCC#N)C[NH2+]CC1(c2ccc(Cl)cc2)CCCC1 ZINC000462360903 339076693 /nfs/dbraw/zinc/07/66/93/339076693.db2.gz RFCVFEGLMALSJS-UHFFFAOYSA-N 1 0 318.892 5.071 20 30 DKEDRO CC(C)(CCC#N)C[NH2+]CC1(c2cccc(Cl)c2)CCCC1 ZINC000462365390 339076954 /nfs/dbraw/zinc/07/69/54/339076954.db2.gz LDLVIVWCGOYLDT-UHFFFAOYSA-N 1 0 318.892 5.071 20 30 DKEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)c2ccccc21 ZINC000462451587 339079105 /nfs/dbraw/zinc/07/91/05/339079105.db2.gz MRUKICDTLJYWIN-AWEZNQCLSA-N 1 0 320.823 5.216 20 30 DKEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)c2ccccc21 ZINC000462451588 339079179 /nfs/dbraw/zinc/07/91/79/339079179.db2.gz MRUKICDTLJYWIN-CQSZACIVSA-N 1 0 320.823 5.216 20 30 DKEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)c2ccccc21 ZINC000462454067 339079338 /nfs/dbraw/zinc/07/93/38/339079338.db2.gz GICJLLPMCUDYCY-AWEZNQCLSA-N 1 0 314.860 5.474 20 30 DKEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)c2ccccc21 ZINC000462454068 339079213 /nfs/dbraw/zinc/07/92/13/339079213.db2.gz GICJLLPMCUDYCY-CQSZACIVSA-N 1 0 314.860 5.474 20 30 DKEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)c2ccccc21 ZINC000462465508 339079424 /nfs/dbraw/zinc/07/94/24/339079424.db2.gz FBKCUFAWOUYAFK-AWEZNQCLSA-N 1 0 320.823 5.216 20 30 DKEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)c2ccccc21 ZINC000462465511 332929964 /nfs/dbraw/zinc/92/99/64/332929964.db2.gz FBKCUFAWOUYAFK-CQSZACIVSA-N 1 0 320.823 5.216 20 30 DKEDRO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(Cl)c2ccccc21 ZINC000462466524 339079550 /nfs/dbraw/zinc/07/95/50/339079550.db2.gz WHXVYMUEEZQGTL-AWEZNQCLSA-N 1 0 320.823 5.216 20 30 DKEDRO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(Cl)c2ccccc21 ZINC000462466526 339079505 /nfs/dbraw/zinc/07/95/05/339079505.db2.gz WHXVYMUEEZQGTL-CQSZACIVSA-N 1 0 320.823 5.216 20 30 DKEDRO Cc1cccc(C2(C[NH2+]CC(C)(C)CCC#N)CCCCC2)c1 ZINC000462686111 339084176 /nfs/dbraw/zinc/08/41/76/339084176.db2.gz PZQDTYTWULOMHH-UHFFFAOYSA-N 1 0 312.501 5.117 20 30 DKEDRO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462726500 339084963 /nfs/dbraw/zinc/08/49/63/339084963.db2.gz IYXKZBCCUZGIRT-IBGZPJMESA-N 1 0 312.844 5.089 20 30 DKEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462726501 339084995 /nfs/dbraw/zinc/08/49/95/339084995.db2.gz IYXKZBCCUZGIRT-LJQANCHMSA-N 1 0 312.844 5.089 20 30 DKEDRO CC(C)C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462728410 333097250 /nfs/dbraw/zinc/09/72/50/333097250.db2.gz UEOHVMXLLKPRFK-IBGZPJMESA-N 1 0 312.844 5.089 20 30 DKEDRO CC(C)C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462728411 333097265 /nfs/dbraw/zinc/09/72/65/333097265.db2.gz UEOHVMXLLKPRFK-LJQANCHMSA-N 1 0 312.844 5.089 20 30 DKEDRO Cc1cccc(Oc2ccccc2C[NH2+]CC(C)(C)CCC#N)c1 ZINC000462742453 339086311 /nfs/dbraw/zinc/08/63/11/339086311.db2.gz DXJPGSDSQNXACN-UHFFFAOYSA-N 1 0 322.452 5.207 20 30 DKEDRO CC(C)(CCC#N)C[NH2+]Cc1ccccc1Sc1ccccc1 ZINC000462745580 333106046 /nfs/dbraw/zinc/10/60/46/333106046.db2.gz POHAWEQUPOWARM-UHFFFAOYSA-N 1 0 324.493 5.257 20 30 DKEDRO Cc1ccccc1Oc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000462750375 339086847 /nfs/dbraw/zinc/08/68/47/339086847.db2.gz ZJARUIJHGHFOPW-UHFFFAOYSA-N 1 0 322.452 5.207 20 30 DKEDRO CC[C@@H](C)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462751733 339086915 /nfs/dbraw/zinc/08/69/15/339086915.db2.gz BFGMYHONWHYJHS-AUUYWEPGSA-N 1 0 312.844 5.089 20 30 DKEDRO CC[C@H](C)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462751734 339086854 /nfs/dbraw/zinc/08/68/54/339086854.db2.gz BFGMYHONWHYJHS-IFXJQAMLSA-N 1 0 312.844 5.089 20 30 DKEDRO CC[C@@H](C)[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462751735 339086951 /nfs/dbraw/zinc/08/69/51/339086951.db2.gz BFGMYHONWHYJHS-KUHUBIRLSA-N 1 0 312.844 5.089 20 30 DKEDRO CC[C@H](C)[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462751736 339086825 /nfs/dbraw/zinc/08/68/25/339086825.db2.gz BFGMYHONWHYJHS-LIRRHRJNSA-N 1 0 312.844 5.089 20 30 DKEDRO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462759490 333110038 /nfs/dbraw/zinc/11/00/38/333110038.db2.gz CRJGTIFLWLEIRJ-AUUYWEPGSA-N 1 0 312.844 5.089 20 30 DKEDRO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462759492 333109979 /nfs/dbraw/zinc/10/99/79/333109979.db2.gz CRJGTIFLWLEIRJ-IFXJQAMLSA-N 1 0 312.844 5.089 20 30 DKEDRO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462759495 333109970 /nfs/dbraw/zinc/10/99/70/333109970.db2.gz CRJGTIFLWLEIRJ-KUHUBIRLSA-N 1 0 312.844 5.089 20 30 DKEDRO CC[C@H](C)[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462759498 333110047 /nfs/dbraw/zinc/11/00/47/333110047.db2.gz CRJGTIFLWLEIRJ-LIRRHRJNSA-N 1 0 312.844 5.089 20 30 DKEDRO Cc1cccc(-c2cccc(C[NH2+]CC(C)(C)CCC#N)c2)c1 ZINC000462773210 339087930 /nfs/dbraw/zinc/08/79/30/339087930.db2.gz MIIIPYGKGXZKJN-UHFFFAOYSA-N 1 0 306.453 5.082 20 30 DKEDRO CCC(CC)(C[NH2+]CC(C)(C)CCC#N)c1ccc(Cl)cc1 ZINC000462776318 339088006 /nfs/dbraw/zinc/08/80/06/339088006.db2.gz RQXFJYYNGOKJQL-UHFFFAOYSA-N 1 0 320.908 5.317 20 30 DKEDRO Cc1ccccc1C1(C[NH2+]CC(C)(C)CCC#N)CCCCC1 ZINC000462779283 339088196 /nfs/dbraw/zinc/08/81/96/339088196.db2.gz OJTPBAACFSROQQ-UHFFFAOYSA-N 1 0 312.501 5.117 20 30 DKEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463281504 339113155 /nfs/dbraw/zinc/11/31/55/339113155.db2.gz KXGJURALLNTYJT-FHWLQOOXSA-N 1 0 324.493 5.012 20 30 DKEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463281505 339113078 /nfs/dbraw/zinc/11/30/78/339113078.db2.gz KXGJURALLNTYJT-OTWHNJEPSA-N 1 0 324.493 5.012 20 30 DKEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463281506 339113103 /nfs/dbraw/zinc/11/31/03/339113103.db2.gz KXGJURALLNTYJT-QRVBRYPASA-N 1 0 324.493 5.012 20 30 DKEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463281507 339113200 /nfs/dbraw/zinc/11/32/00/339113200.db2.gz KXGJURALLNTYJT-QYZOEREBSA-N 1 0 324.493 5.012 20 30 DKEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000463290668 339113648 /nfs/dbraw/zinc/11/36/48/339113648.db2.gz TWULLXWMBLHUPS-CDHQVMDDSA-N 1 0 324.855 5.101 20 30 DKEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000463290671 339113662 /nfs/dbraw/zinc/11/36/62/339113662.db2.gz TWULLXWMBLHUPS-UIAACRFSSA-N 1 0 324.855 5.101 20 30 DKEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000463290673 339113700 /nfs/dbraw/zinc/11/37/00/339113700.db2.gz TWULLXWMBLHUPS-XPGWFJOJSA-N 1 0 324.855 5.101 20 30 DKEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000463290675 339113626 /nfs/dbraw/zinc/11/36/26/339113626.db2.gz TWULLXWMBLHUPS-YSGRDPCXSA-N 1 0 324.855 5.101 20 30 DKEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000463301021 339114166 /nfs/dbraw/zinc/11/41/66/339114166.db2.gz LWKJADCMELRKNM-XPGWFJOJSA-N 1 0 324.855 5.101 20 30 DKEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000463301022 339114144 /nfs/dbraw/zinc/11/41/44/339114144.db2.gz LWKJADCMELRKNM-YSGRDPCXSA-N 1 0 324.855 5.101 20 30 DKEDRO C[C@@H]([NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000463904478 339128523 /nfs/dbraw/zinc/12/85/23/339128523.db2.gz HYRSLOPLSJCJKB-FOIQADDNSA-N 1 0 324.443 5.525 20 30 DKEDRO C[C@H]([NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000463904483 339128508 /nfs/dbraw/zinc/12/85/08/339128508.db2.gz HYRSLOPLSJCJKB-MGPUTAFESA-N 1 0 324.443 5.525 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000463904485 339128485 /nfs/dbraw/zinc/12/84/85/339128485.db2.gz HYRSLOPLSJCJKB-QRWLVFNGSA-N 1 0 324.443 5.525 20 30 DKEDRO C[C@H]([NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000463904486 339128496 /nfs/dbraw/zinc/12/84/96/339128496.db2.gz HYRSLOPLSJCJKB-YWZLYKJASA-N 1 0 324.443 5.525 20 30 DKEDRO C[C@@H](c1ccc2ccccc2c1)[N@H+](CCCSCC#N)C1CC1 ZINC000466736411 339214977 /nfs/dbraw/zinc/21/49/77/339214977.db2.gz WEWVZXDSWFHUED-INIZCTEOSA-N 1 0 324.493 5.012 20 30 DKEDRO C[C@H](c1ccc2ccccc2c1)[N@H+](CCCSCC#N)C1CC1 ZINC000466736412 339214991 /nfs/dbraw/zinc/21/49/91/339214991.db2.gz WEWVZXDSWFHUED-MRXNPFEDSA-N 1 0 324.493 5.012 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(SC)cc1)c1ccc(C#N)cc1 ZINC000467417924 339237491 /nfs/dbraw/zinc/23/74/91/339237491.db2.gz MHWYJCHXFQJUDI-IFXJQAMLSA-N 1 0 310.466 5.082 20 30 DKEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(SC)cc1)c1ccc(C#N)cc1 ZINC000467417925 339237518 /nfs/dbraw/zinc/23/75/18/339237518.db2.gz MHWYJCHXFQJUDI-LIRRHRJNSA-N 1 0 310.466 5.082 20 30 DKEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(SC)cc1)c1ccc(C#N)cc1 ZINC000467432714 339238195 /nfs/dbraw/zinc/23/81/95/339238195.db2.gz MHWYJCHXFQJUDI-AUUYWEPGSA-N 1 0 310.466 5.082 20 30 DKEDRO CC[C@H]([NH2+][C@H](C)c1ccc(SC)cc1)c1ccc(C#N)cc1 ZINC000467432715 339238162 /nfs/dbraw/zinc/23/81/62/339238162.db2.gz MHWYJCHXFQJUDI-KUHUBIRLSA-N 1 0 310.466 5.082 20 30 DKEDRO C=CCC[C@@H](N[C@@H](C)c1csc(C(C)C)n1)c1ccccc1 ZINC000469802822 339301131 /nfs/dbraw/zinc/30/11/31/339301131.db2.gz VXJVJNWMHORYHO-DOTOQJQBSA-N 1 0 314.498 5.625 20 30 DKEDRO C=CCC[C@@H](N[C@H](C)c1csc(C(C)C)n1)c1ccccc1 ZINC000469802829 339301101 /nfs/dbraw/zinc/30/11/01/339301101.db2.gz VXJVJNWMHORYHO-NVXWUHKLSA-N 1 0 314.498 5.625 20 30 DKEDRO C=CCC[C@H](N[C@@H](C)c1csc(C(C)C)n1)c1ccccc1 ZINC000469802831 339301125 /nfs/dbraw/zinc/30/11/25/339301125.db2.gz VXJVJNWMHORYHO-RDJZCZTQSA-N 1 0 314.498 5.625 20 30 DKEDRO C=CCC[C@H](N[C@H](C)c1csc(C(C)C)n1)c1ccccc1 ZINC000469802833 339301155 /nfs/dbraw/zinc/30/11/55/339301155.db2.gz VXJVJNWMHORYHO-WBVHZDCISA-N 1 0 314.498 5.625 20 30 DKEDRO CC[N@H+](Cc1cccc(C(F)F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000470718091 339325919 /nfs/dbraw/zinc/32/59/19/339325919.db2.gz OIFWNRZVPBAADA-AWEZNQCLSA-N 1 0 314.379 5.079 20 30 DKEDRO CC[N@H+](Cc1cccc(C(F)F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000470718092 339325853 /nfs/dbraw/zinc/32/58/53/339325853.db2.gz OIFWNRZVPBAADA-CQSZACIVSA-N 1 0 314.379 5.079 20 30 DKEDRO C=C(C)[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccc(F)c(F)c1 ZINC000470762595 339327104 /nfs/dbraw/zinc/32/71/04/339327104.db2.gz VTTMCBGAFLYMII-KRWDZBQOSA-N 1 0 323.333 5.309 20 30 DKEDRO C=C(C)[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccc(F)c(F)c1 ZINC000470762596 339326962 /nfs/dbraw/zinc/32/69/62/339326962.db2.gz VTTMCBGAFLYMII-QGZVFWFLSA-N 1 0 323.333 5.309 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000470775876 339327691 /nfs/dbraw/zinc/32/76/91/339327691.db2.gz ASWCUWQWTCGVHE-GOSISDBHSA-N 1 0 301.380 5.421 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000470775877 339327547 /nfs/dbraw/zinc/32/75/47/339327547.db2.gz ASWCUWQWTCGVHE-SFHVURJKSA-N 1 0 301.380 5.421 20 30 DKEDRO C=C(C)C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000471175906 339339544 /nfs/dbraw/zinc/33/95/44/339339544.db2.gz IWHMHRORSLXXHR-KRWDZBQOSA-N 1 0 310.441 5.178 20 30 DKEDRO C=C(C)C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000471175907 339339522 /nfs/dbraw/zinc/33/95/22/339339522.db2.gz IWHMHRORSLXXHR-QGZVFWFLSA-N 1 0 310.441 5.178 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1sccc1OC)c1ccccc1 ZINC000471578774 339347975 /nfs/dbraw/zinc/34/79/75/339347975.db2.gz RUBHDBOKZZMIFH-GDBMZVCRSA-N 1 0 301.455 5.115 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1sccc1OC)c1ccccc1 ZINC000471578775 339348000 /nfs/dbraw/zinc/34/80/00/339348000.db2.gz RUBHDBOKZZMIFH-GOEBONIOSA-N 1 0 301.455 5.115 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1sccc1OC)c1ccccc1 ZINC000471578776 339347962 /nfs/dbraw/zinc/34/79/62/339347962.db2.gz RUBHDBOKZZMIFH-HOCLYGCPSA-N 1 0 301.455 5.115 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H](C)c1sccc1OC)c1ccccc1 ZINC000471578777 339347893 /nfs/dbraw/zinc/34/78/93/339347893.db2.gz RUBHDBOKZZMIFH-ZBFHGGJFSA-N 1 0 301.455 5.115 20 30 DKEDRO CC(C)(C#N)CCC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000472227082 339366485 /nfs/dbraw/zinc/36/64/85/339366485.db2.gz UXSUWSWGOHDWBY-NRFANRHFSA-N 1 0 318.464 5.116 20 30 DKEDRO CC(C)(C#N)CCC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000472227107 339366503 /nfs/dbraw/zinc/36/65/03/339366503.db2.gz UXSUWSWGOHDWBY-OAQYLSRUSA-N 1 0 318.464 5.116 20 30 DKEDRO CC(C)(C#N)CCC[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000472238023 339367113 /nfs/dbraw/zinc/36/71/13/339367113.db2.gz FKOAPMOSRIDBRE-UHFFFAOYSA-N 1 0 320.427 5.039 20 30 DKEDRO CC(C)(C#N)CCC[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000472247294 339367545 /nfs/dbraw/zinc/36/75/45/339367545.db2.gz PBWNMKKAHLFSOM-UHFFFAOYSA-N 1 0 313.272 5.148 20 30 DKEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccccc1-c1ccccc1 ZINC000472248617 339367590 /nfs/dbraw/zinc/36/75/90/339367590.db2.gz FBEZZXDEGXHSEX-UHFFFAOYSA-N 1 0 306.453 5.115 20 30 DKEDRO Cc1ccccc1C1CC([N@H+](CCCC(C)(C)C#N)C2CC2)C1 ZINC000472255119 339367894 /nfs/dbraw/zinc/36/78/94/339367894.db2.gz HMYJMXMRFRCYNV-UHFFFAOYSA-N 1 0 310.485 5.035 20 30 DKEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000472425402 339371754 /nfs/dbraw/zinc/37/17/54/339371754.db2.gz NAXYYVMSAUWMJP-AWEZNQCLSA-N 1 0 304.865 5.195 20 30 DKEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000472425403 339371767 /nfs/dbraw/zinc/37/17/67/339371767.db2.gz NAXYYVMSAUWMJP-CQSZACIVSA-N 1 0 304.865 5.195 20 30 DKEDRO CC(C)(C#N)CCC[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000472427824 339371706 /nfs/dbraw/zinc/37/17/06/339371706.db2.gz DDYSSJLOYDEDCH-UHFFFAOYSA-N 1 0 320.427 5.039 20 30 DKEDRO CC[N@H+](CCCC(C)(C)C#N)Cc1ccc(Cl)c(Cl)c1 ZINC000472436917 339371801 /nfs/dbraw/zinc/37/18/01/339371801.db2.gz JWOWFGXUBBOHHM-UHFFFAOYSA-N 1 0 313.272 5.145 20 30 DKEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCC(C)(C)C#N ZINC000472437006 339371857 /nfs/dbraw/zinc/37/18/57/339371857.db2.gz BBAGRUMSQGZJAK-CYBMUJFWSA-N 1 0 312.379 5.028 20 30 DKEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCC(C)(C)C#N ZINC000472437007 339371950 /nfs/dbraw/zinc/37/19/50/339371950.db2.gz BBAGRUMSQGZJAK-ZDUSSCGKSA-N 1 0 312.379 5.028 20 30 DKEDRO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCC(C)(C)C#N ZINC000472439434 339371919 /nfs/dbraw/zinc/37/19/19/339371919.db2.gz LXILAMYSAXLCSF-GFCCVEGCSA-N 1 0 313.272 5.316 20 30 DKEDRO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCC(C)(C)C#N ZINC000472439435 339371846 /nfs/dbraw/zinc/37/18/46/339371846.db2.gz LXILAMYSAXLCSF-LBPRGKRZSA-N 1 0 313.272 5.316 20 30 DKEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCCC(C)(C)C#N ZINC000472443003 339371821 /nfs/dbraw/zinc/37/18/21/339371821.db2.gz GCZZMGPNGGXCKZ-CYBMUJFWSA-N 1 0 312.379 5.028 20 30 DKEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCCC(C)(C)C#N ZINC000472443004 339371886 /nfs/dbraw/zinc/37/18/86/339371886.db2.gz GCZZMGPNGGXCKZ-ZDUSSCGKSA-N 1 0 312.379 5.028 20 30 DKEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000472444287 339372004 /nfs/dbraw/zinc/37/20/04/339372004.db2.gz QECCNDNQTBPISH-FQEVSTJZSA-N 1 0 306.453 5.307 20 30 DKEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000472444288 339372066 /nfs/dbraw/zinc/37/20/66/339372066.db2.gz QECCNDNQTBPISH-HXUWFJFHSA-N 1 0 306.453 5.307 20 30 DKEDRO C[C@@H](c1ccccc1Cl)[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000472444943 339371963 /nfs/dbraw/zinc/37/19/63/339371963.db2.gz UEJVJDCUFZOVQY-AWEZNQCLSA-N 1 0 304.865 5.195 20 30 DKEDRO C[C@H](c1ccccc1Cl)[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000472444944 339371632 /nfs/dbraw/zinc/37/16/32/339371632.db2.gz UEJVJDCUFZOVQY-CQSZACIVSA-N 1 0 304.865 5.195 20 30 DKEDRO CC(C)(C#N)CCC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000472447892 339371990 /nfs/dbraw/zinc/37/19/90/339371990.db2.gz FTSQUIRUCHOALW-UHFFFAOYSA-N 1 0 306.453 5.134 20 30 DKEDRO N#CCCCC[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000476989153 339484011 /nfs/dbraw/zinc/48/40/11/339484011.db2.gz ITSXQOZCXSJUSE-UHFFFAOYSA-N 1 0 323.267 5.166 20 30 DKEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(SC)cc1)c1ccc(F)c(F)c1 ZINC000479399345 339533062 /nfs/dbraw/zinc/53/30/62/339533062.db2.gz VNQJAXFSUFHDKP-GOSISDBHSA-N 1 0 319.420 5.094 20 30 DKEDRO C=C(C)[C@H]([NH2+]Cc1ccc(SC)cc1)c1ccc(F)c(F)c1 ZINC000479399347 339533091 /nfs/dbraw/zinc/53/30/91/339533091.db2.gz VNQJAXFSUFHDKP-SFHVURJKSA-N 1 0 319.420 5.094 20 30 DKEDRO C=C(C)[C@@H]([NH2+]Cc1coc2ccccc12)c1ccc(F)c(F)c1 ZINC000479410094 339533565 /nfs/dbraw/zinc/53/35/65/339533565.db2.gz QQFFBSLNDOXVDS-LJQANCHMSA-N 1 0 313.347 5.118 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)c1ccccc1 ZINC000480214654 339563776 /nfs/dbraw/zinc/56/37/76/339563776.db2.gz PFDWJJNMRQXUKH-KSSFIOAISA-N 1 0 300.833 5.093 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cn1)c1ccccc1 ZINC000480214656 339563779 /nfs/dbraw/zinc/56/37/79/339563779.db2.gz PFDWJJNMRQXUKH-RDTXWAMCSA-N 1 0 300.833 5.093 20 30 DKEDRO C=C(C)[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000480658608 339581559 /nfs/dbraw/zinc/58/15/59/339581559.db2.gz LALWNSISXZUARL-KZULUSFZSA-N 1 0 305.343 5.072 20 30 DKEDRO C=C(C)[C@H]([NH2+][C@@H](C)c1sccc1C)c1ccc(F)c(F)c1 ZINC000480659199 336065531 /nfs/dbraw/zinc/06/55/31/336065531.db2.gz CVNHPDCDJQTTOG-LRDDRELGSA-N 1 0 307.409 5.303 20 30 DKEDRO C=C(C)[C@@H]([NH2+][C@H](C)c1sccc1C)c1ccc(F)c(F)c1 ZINC000480659200 336066016 /nfs/dbraw/zinc/06/60/16/336066016.db2.gz CVNHPDCDJQTTOG-MLGOLLRUSA-N 1 0 307.409 5.303 20 30 DKEDRO C=C(C)[C@H]([NH2+][C@H](C)c1sccc1C)c1ccc(F)c(F)c1 ZINC000480659201 336065863 /nfs/dbraw/zinc/06/58/63/336065863.db2.gz CVNHPDCDJQTTOG-WBMJQRKESA-N 1 0 307.409 5.303 20 30 DKEDRO C=C(C)[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480669014 339582343 /nfs/dbraw/zinc/58/23/43/339582343.db2.gz NXADLOAJXOAQQM-IAQYHMDHSA-N 1 0 321.333 5.293 20 30 DKEDRO C=C(C)[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480669016 339582335 /nfs/dbraw/zinc/58/23/35/339582335.db2.gz NXADLOAJXOAQQM-NHYWBVRUSA-N 1 0 321.333 5.293 20 30 DKEDRO C=C(C)[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480669018 339582403 /nfs/dbraw/zinc/58/24/03/339582403.db2.gz NXADLOAJXOAQQM-XHDPSFHLSA-N 1 0 321.333 5.293 20 30 DKEDRO C=C(C)[C@@H]([NH2+][C@H](CC)c1cccs1)c1ccc(F)c(F)c1 ZINC000480698731 339583868 /nfs/dbraw/zinc/58/38/68/339583868.db2.gz MXWZGOLWGURQQT-NVXWUHKLSA-N 1 0 307.409 5.384 20 30 DKEDRO C=C(C)[C@H]([NH2+][C@H](CC)c1cccs1)c1ccc(F)c(F)c1 ZINC000480698734 339583883 /nfs/dbraw/zinc/58/38/83/339583883.db2.gz MXWZGOLWGURQQT-WBVHZDCISA-N 1 0 307.409 5.384 20 30 DKEDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc2ccccc21 ZINC000480874500 339589200 /nfs/dbraw/zinc/58/92/00/339589200.db2.gz XVFPAPMNZKAXLB-CQSZACIVSA-N 1 0 320.823 5.216 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000480880358 339589543 /nfs/dbraw/zinc/58/95/43/339589543.db2.gz VLKUBGYZWDNYGV-IBGZPJMESA-N 1 0 310.828 5.009 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000480880359 339589504 /nfs/dbraw/zinc/58/95/04/339589504.db2.gz VLKUBGYZWDNYGV-LJQANCHMSA-N 1 0 310.828 5.009 20 30 DKEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccs1 ZINC000481043189 339594094 /nfs/dbraw/zinc/59/40/94/339594094.db2.gz DTIFWUADEPSRIS-MRXNPFEDSA-N 1 0 318.873 5.150 20 30 DKEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](c1ccccc1)C1CC1 ZINC000481664647 339609095 /nfs/dbraw/zinc/60/90/95/339609095.db2.gz HGMWYHNXXXSQNX-FCHUYYIVSA-N 1 0 316.448 5.067 20 30 DKEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000481664651 339609133 /nfs/dbraw/zinc/60/91/33/339609133.db2.gz HGMWYHNXXXSQNX-YADHBBJMSA-N 1 0 316.448 5.067 20 30 DKEDRO CC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1cccs1 ZINC000481667664 339609239 /nfs/dbraw/zinc/60/92/39/339609239.db2.gz HCQFXYGITFCIGC-MSOLQXFVSA-N 1 0 310.466 5.128 20 30 DKEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](c1cccs1)C1CC1 ZINC000481911111 339616422 /nfs/dbraw/zinc/61/64/22/339616422.db2.gz DCRIQPXPFYRVAG-AZUAARDMSA-N 1 0 322.477 5.128 20 30 DKEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](c1cccs1)C1CC1 ZINC000481911113 339616385 /nfs/dbraw/zinc/61/63/85/339616385.db2.gz DCRIQPXPFYRVAG-ICSRJNTNSA-N 1 0 322.477 5.128 20 30 DKEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](c1cccs1)C1CC1 ZINC000481911116 339616435 /nfs/dbraw/zinc/61/64/35/339616435.db2.gz DCRIQPXPFYRVAG-UYAOXDASSA-N 1 0 322.477 5.128 20 30 DKEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(SC2CCCC2)cc1 ZINC000482436153 339631167 /nfs/dbraw/zinc/63/11/67/339631167.db2.gz ISENGBNPSZSNNW-OAHLLOKOSA-N 1 0 302.487 5.066 20 30 DKEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2ccccc2Cl)s1 ZINC000482446240 339631682 /nfs/dbraw/zinc/63/16/82/339631682.db2.gz BXDAYEOOZWWZOJ-CYBMUJFWSA-N 1 0 318.873 5.413 20 30 DKEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(-c2ccccc2Cl)s1 ZINC000482446241 339631634 /nfs/dbraw/zinc/63/16/34/339631634.db2.gz BXDAYEOOZWWZOJ-ZDUSSCGKSA-N 1 0 318.873 5.413 20 30 DKEDRO CC[C@H]([NH2+]CCCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000482457376 339632323 /nfs/dbraw/zinc/63/23/23/339632323.db2.gz QNKXPHBMXBPGHI-FQEVSTJZSA-N 1 0 308.425 5.213 20 30 DKEDRO CCC(CC)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccs1 ZINC000484064935 339680450 /nfs/dbraw/zinc/68/04/50/339680450.db2.gz KKCRMPVDCJNOSN-GOSISDBHSA-N 1 0 316.445 5.026 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000486715425 339732266 /nfs/dbraw/zinc/73/22/66/339732266.db2.gz WLNDEFGADBCNEX-LJQANCHMSA-N 1 0 308.400 5.104 20 30 DKEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000487381106 339752532 /nfs/dbraw/zinc/75/25/32/339752532.db2.gz SMXALOJKQYUPAJ-FQEVSTJZSA-N 1 0 320.480 5.365 20 30 DKEDRO Cc1cc(C[NH2+][C@H](C)c2cccc(Cl)c2Cl)ccc1C#N ZINC000488105563 339770443 /nfs/dbraw/zinc/77/04/43/339770443.db2.gz CVQZRTMDISYSRT-GFCCVEGCSA-N 1 0 319.235 5.024 20 30 DKEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)ccc1C#N ZINC000488152221 339771977 /nfs/dbraw/zinc/77/19/77/339771977.db2.gz QDNOOEXMVZQPJB-INIZCTEOSA-N 1 0 324.493 5.218 20 30 DKEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)ccc1C#N ZINC000488152224 339772041 /nfs/dbraw/zinc/77/20/41/339772041.db2.gz QDNOOEXMVZQPJB-MRXNPFEDSA-N 1 0 324.493 5.218 20 30 DKEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)ccc1C#N ZINC000488189511 339772866 /nfs/dbraw/zinc/77/28/66/339772866.db2.gz ZSZWLNRFDBQFRJ-GFCCVEGCSA-N 1 0 319.235 5.024 20 30 DKEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)ccc1C#N ZINC000488189512 339772953 /nfs/dbraw/zinc/77/29/53/339772953.db2.gz ZSZWLNRFDBQFRJ-LBPRGKRZSA-N 1 0 319.235 5.024 20 30 DKEDRO C[C@H]([NH2+][C@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000495402822 339983074 /nfs/dbraw/zinc/98/30/74/339983074.db2.gz SKICEOHCXUGRGZ-HRAATJIYSA-N 1 0 304.437 5.140 20 30 DKEDRO C[C@@H]([NH2+][C@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000495402824 518178361 /nfs/dbraw/zinc/17/83/61/518178361.db2.gz SKICEOHCXUGRGZ-IIBYNOLFSA-N 1 0 304.437 5.140 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CC1CCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000495413725 339983568 /nfs/dbraw/zinc/98/35/68/339983568.db2.gz FTNMLVTXKYBAKR-VFNWGFHPSA-N 1 0 322.427 5.279 20 30 DKEDRO C[C@H]([NH2+][C@H](CC1CCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000495413889 339983565 /nfs/dbraw/zinc/98/35/65/339983565.db2.gz FTNMLVTXKYBAKR-YCRPNKLZSA-N 1 0 322.427 5.279 20 30 DKEDRO CC(C)(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000497807593 333294514 /nfs/dbraw/zinc/29/45/14/333294514.db2.gz CWKCRLVURFIVNZ-FQEVSTJZSA-N 1 0 318.420 5.181 20 30 DKEDRO CC(C)(C)[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000497807594 333294394 /nfs/dbraw/zinc/29/43/94/333294394.db2.gz CWKCRLVURFIVNZ-HXUWFJFHSA-N 1 0 318.420 5.181 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccccc1 ZINC000499609984 340040951 /nfs/dbraw/zinc/04/09/51/340040951.db2.gz JAGQAVAZUUGZCF-FQEVSTJZSA-N 1 0 302.421 5.032 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccccc1 ZINC000499609985 340040851 /nfs/dbraw/zinc/04/08/51/340040851.db2.gz JAGQAVAZUUGZCF-HXUWFJFHSA-N 1 0 302.421 5.032 20 30 DKEDRO CSc1ccc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1 ZINC000500225178 340053486 /nfs/dbraw/zinc/05/34/86/340053486.db2.gz HPLNZXYEYDPYOY-HNNXBMFYSA-N 1 0 324.493 5.060 20 30 DKEDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000501561510 340083752 /nfs/dbraw/zinc/08/37/52/340083752.db2.gz NMDNCKZGJPNYTB-OAHLLOKOSA-N 1 0 324.493 5.060 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1cnn(C2CCCC2)c1)c1ccccc1 ZINC000502405172 340102091 /nfs/dbraw/zinc/10/20/91/340102091.db2.gz LGHFHADYEOYIOP-DYESRHJHSA-N 1 0 323.484 5.356 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1cnn(C2CCCC2)c1)c1ccccc1 ZINC000502405177 340102041 /nfs/dbraw/zinc/10/20/41/340102041.db2.gz LGHFHADYEOYIOP-LAUBAEHRSA-N 1 0 323.484 5.356 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H](C)c1cnn(C2CCCC2)c1)c1ccccc1 ZINC000502405178 340101999 /nfs/dbraw/zinc/10/19/99/340101999.db2.gz LGHFHADYEOYIOP-UTKZUKDTSA-N 1 0 323.484 5.356 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1cnn(C2CCCC2)c1)c1ccccc1 ZINC000502405179 340101978 /nfs/dbraw/zinc/10/19/78/340101978.db2.gz LGHFHADYEOYIOP-UWJYYQICSA-N 1 0 323.484 5.356 20 30 DKEDRO CC(C)[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(F)cc1 ZINC000502499741 340106034 /nfs/dbraw/zinc/10/60/34/340106034.db2.gz HNCBQODIXSXNEC-FQEVSTJZSA-N 1 0 324.443 5.114 20 30 DKEDRO CC(C)[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(F)cc1 ZINC000502499742 340106022 /nfs/dbraw/zinc/10/60/22/340106022.db2.gz HNCBQODIXSXNEC-HXUWFJFHSA-N 1 0 324.443 5.114 20 30 DKEDRO CC[C@H]([NH2+][C@H](C)c1ccccc1SC)c1ccc(C#N)cc1 ZINC000503878691 340135686 /nfs/dbraw/zinc/13/56/86/340135686.db2.gz YYURRVZFFPWYJZ-KDOFPFPSSA-N 1 0 310.466 5.082 20 30 DKEDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1SC)c1ccc(C#N)cc1 ZINC000503878693 340135624 /nfs/dbraw/zinc/13/56/24/340135624.db2.gz YYURRVZFFPWYJZ-RDTXWAMCSA-N 1 0 310.466 5.082 20 30 DKEDRO CC[C@H]([NH2+][C@H](c1ccc(F)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000503885148 340135823 /nfs/dbraw/zinc/13/58/23/340135823.db2.gz KELAXDDBXHIRMA-PMACEKPBSA-N 1 0 310.416 5.135 20 30 DKEDRO CC[C@@H]([NH2+][C@H](c1ccc(F)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000503885149 340135785 /nfs/dbraw/zinc/13/57/85/340135785.db2.gz KELAXDDBXHIRMA-UXHICEINSA-N 1 0 310.416 5.135 20 30 DKEDRO CC[C@H]([NH2+][C@@H](c1ccc(F)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000503885150 340135740 /nfs/dbraw/zinc/13/57/40/340135740.db2.gz KELAXDDBXHIRMA-VQTJNVASSA-N 1 0 310.416 5.135 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000503885151 340135789 /nfs/dbraw/zinc/13/57/89/340135789.db2.gz KELAXDDBXHIRMA-WOJBJXKFSA-N 1 0 310.416 5.135 20 30 DKEDRO CC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccs1 ZINC000507629914 340226856 /nfs/dbraw/zinc/22/68/56/340226856.db2.gz LZMRVFSWWMFXJS-FDYSRKEFSA-N 1 0 324.493 5.193 20 30 DKEDRO CC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccs1 ZINC000507629915 340226914 /nfs/dbraw/zinc/22/69/14/340226914.db2.gz LZMRVFSWWMFXJS-QPIRBTGLSA-N 1 0 324.493 5.193 20 30 DKEDRO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC(C)(C)CCC#N ZINC000507668535 340227870 /nfs/dbraw/zinc/22/78/70/340227870.db2.gz JBFBQCZRKDYJRW-GFCCVEGCSA-N 1 0 313.272 5.316 20 30 DKEDRO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC(C)(C)CCC#N ZINC000507668538 340227815 /nfs/dbraw/zinc/22/78/15/340227815.db2.gz JBFBQCZRKDYJRW-LBPRGKRZSA-N 1 0 313.272 5.316 20 30 DKEDRO C[N@H+](Cc1ccccc1-c1ccccc1)CC(C)(C)CCC#N ZINC000510516695 340301628 /nfs/dbraw/zinc/30/16/28/340301628.db2.gz DRPNHWVMHKSKIT-UHFFFAOYSA-N 1 0 306.453 5.115 20 30 DKEDRO CC(C)(C#N)CCC[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511068143 340319986 /nfs/dbraw/zinc/31/99/86/340319986.db2.gz YWQAXXBLFMFNTJ-UHFFFAOYSA-N 1 0 322.855 5.021 20 30 DKEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000511759391 340337481 /nfs/dbraw/zinc/33/74/81/340337481.db2.gz UGYDPNYZMIHZSM-FQEVSTJZSA-N 1 0 306.453 5.307 20 30 DKEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000511759396 340337525 /nfs/dbraw/zinc/33/75/25/340337525.db2.gz UGYDPNYZMIHZSM-HXUWFJFHSA-N 1 0 306.453 5.307 20 30 DKEDRO C[C@@H](c1ccc2ccccc2c1)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000511776490 340338110 /nfs/dbraw/zinc/33/81/10/340338110.db2.gz LDJAOMHIPNMHGG-HNNXBMFYSA-N 1 0 316.404 5.030 20 30 DKEDRO C[C@H](c1ccc2ccccc2c1)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000511776491 340338095 /nfs/dbraw/zinc/33/80/95/340338095.db2.gz LDJAOMHIPNMHGG-OAHLLOKOSA-N 1 0 316.404 5.030 20 30 DKEDRO C=C(C)[C@H]([NH2+]Cc1ccc2occc2c1)c1ccc(F)c(F)c1 ZINC000511913163 340342784 /nfs/dbraw/zinc/34/27/84/340342784.db2.gz VXUQRWDYIMPRMZ-IBGZPJMESA-N 1 0 313.347 5.118 20 30 DKEDRO C=C(C)[C@@H]([NH2+]Cc1ccc2occc2c1)c1ccc(F)c(F)c1 ZINC000511913164 340342701 /nfs/dbraw/zinc/34/27/01/340342701.db2.gz VXUQRWDYIMPRMZ-LJQANCHMSA-N 1 0 313.347 5.118 20 30 DKEDRO C=CCOc1cccc(C[NH2+][C@H](CC)c2ccc(Cl)s2)c1 ZINC000512220638 340352887 /nfs/dbraw/zinc/35/28/87/340352887.db2.gz XCKGNUSCOTYGDU-OAHLLOKOSA-N 1 0 321.873 5.207 20 30 DKEDRO C[C@H]([NH2+][C@@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512280239 340355243 /nfs/dbraw/zinc/35/52/43/340355243.db2.gz OGGNMBTUNHANCK-BTYIYWSLSA-N 1 0 322.427 5.279 20 30 DKEDRO C[C@@H]([NH2+][C@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512280240 340355280 /nfs/dbraw/zinc/35/52/80/340355280.db2.gz OGGNMBTUNHANCK-QVKFZJNVSA-N 1 0 322.427 5.279 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512280241 340355265 /nfs/dbraw/zinc/35/52/65/340355265.db2.gz OGGNMBTUNHANCK-VFNWGFHPSA-N 1 0 322.427 5.279 20 30 DKEDRO C[C@H]([NH2+][C@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512280242 340355220 /nfs/dbraw/zinc/35/52/20/340355220.db2.gz OGGNMBTUNHANCK-YCRPNKLZSA-N 1 0 322.427 5.279 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512621515 340369522 /nfs/dbraw/zinc/36/95/22/340369522.db2.gz YWHQPUMWTNUFFW-KPZWWZAWSA-N 1 0 316.807 5.153 20 30 DKEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512621516 340369503 /nfs/dbraw/zinc/36/95/03/340369503.db2.gz YWHQPUMWTNUFFW-KZULUSFZSA-N 1 0 316.807 5.153 20 30 DKEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512621517 340369588 /nfs/dbraw/zinc/36/95/88/340369588.db2.gz YWHQPUMWTNUFFW-SGTLLEGYSA-N 1 0 316.807 5.153 20 30 DKEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512621518 340369549 /nfs/dbraw/zinc/36/95/49/340369549.db2.gz YWHQPUMWTNUFFW-XIKOKIGWSA-N 1 0 316.807 5.153 20 30 DKEDRO CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512625756 340369705 /nfs/dbraw/zinc/36/97/05/340369705.db2.gz QHGOMBIYZHDBSD-FOIQADDNSA-N 1 0 310.416 5.135 20 30 DKEDRO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512625757 340369700 /nfs/dbraw/zinc/36/97/00/340369700.db2.gz QHGOMBIYZHDBSD-MGPUTAFESA-N 1 0 310.416 5.135 20 30 DKEDRO CC(C)C[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512625759 340369773 /nfs/dbraw/zinc/36/97/73/340369773.db2.gz QHGOMBIYZHDBSD-QRWLVFNGSA-N 1 0 310.416 5.135 20 30 DKEDRO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512625760 340369670 /nfs/dbraw/zinc/36/96/70/340369670.db2.gz QHGOMBIYZHDBSD-YWZLYKJASA-N 1 0 310.416 5.135 20 30 DKEDRO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512625783 340369758 /nfs/dbraw/zinc/36/97/58/340369758.db2.gz QMDQPIWONFCKGW-CABCVRRESA-N 1 0 310.416 5.233 20 30 DKEDRO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512625786 340369637 /nfs/dbraw/zinc/36/96/37/340369637.db2.gz QMDQPIWONFCKGW-GJZGRUSLSA-N 1 0 310.416 5.233 20 30 DKEDRO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512625788 340369620 /nfs/dbraw/zinc/36/96/20/340369620.db2.gz QMDQPIWONFCKGW-HUUCEWRRSA-N 1 0 310.416 5.233 20 30 DKEDRO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512625789 340369752 /nfs/dbraw/zinc/36/97/52/340369752.db2.gz QMDQPIWONFCKGW-LSDHHAIUSA-N 1 0 310.416 5.233 20 30 DKEDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1F ZINC000512630008 340370003 /nfs/dbraw/zinc/37/00/03/340370003.db2.gz LENDNXRROQSOBD-BTYIYWSLSA-N 1 0 322.427 5.279 20 30 DKEDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1F ZINC000512630012 340369937 /nfs/dbraw/zinc/36/99/37/340369937.db2.gz LENDNXRROQSOBD-QVKFZJNVSA-N 1 0 322.427 5.279 20 30 DKEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1F ZINC000512630014 340369959 /nfs/dbraw/zinc/36/99/59/340369959.db2.gz LENDNXRROQSOBD-VFNWGFHPSA-N 1 0 322.427 5.279 20 30 DKEDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1F ZINC000512630016 340369999 /nfs/dbraw/zinc/36/99/99/340369999.db2.gz LENDNXRROQSOBD-YCRPNKLZSA-N 1 0 322.427 5.279 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc2ccccc2c1 ZINC000512632247 340370207 /nfs/dbraw/zinc/37/02/07/340370207.db2.gz YFQITNTZCNYBPD-CABCVRRESA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc2ccccc2c1 ZINC000512632248 340370215 /nfs/dbraw/zinc/37/02/15/340370215.db2.gz YFQITNTZCNYBPD-GJZGRUSLSA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc2ccccc2c1 ZINC000512632249 340370195 /nfs/dbraw/zinc/37/01/95/340370195.db2.gz YFQITNTZCNYBPD-HUUCEWRRSA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1ccc(C#N)cc1F ZINC000512632250 340370141 /nfs/dbraw/zinc/37/01/41/340370141.db2.gz YFQITNTZCNYBPD-LSDHHAIUSA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc2ccccc21 ZINC000512640899 340370514 /nfs/dbraw/zinc/37/05/14/340370514.db2.gz BGZMSMSMOMDROX-CABCVRRESA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1F ZINC000512640900 340370508 /nfs/dbraw/zinc/37/05/08/340370508.db2.gz BGZMSMSMOMDROX-GJZGRUSLSA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1F ZINC000512640901 340370405 /nfs/dbraw/zinc/37/04/05/340370405.db2.gz BGZMSMSMOMDROX-HUUCEWRRSA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1F ZINC000512640902 340370473 /nfs/dbraw/zinc/37/04/73/340370473.db2.gz BGZMSMSMOMDROX-LSDHHAIUSA-N 1 0 318.395 5.262 20 30 DKEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)s1 ZINC000512642385 340370595 /nfs/dbraw/zinc/37/05/95/340370595.db2.gz PDNTYDMNFCNRFX-HZMBPMFUSA-N 1 0 322.836 5.214 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)s1 ZINC000512642386 340370641 /nfs/dbraw/zinc/37/06/41/340370641.db2.gz PDNTYDMNFCNRFX-IINYFYTJSA-N 1 0 322.836 5.214 20 30 DKEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)s1 ZINC000512642387 340370624 /nfs/dbraw/zinc/37/06/24/340370624.db2.gz PDNTYDMNFCNRFX-QMTHXVAHSA-N 1 0 322.836 5.214 20 30 DKEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)s1 ZINC000512642388 340370655 /nfs/dbraw/zinc/37/06/55/340370655.db2.gz PDNTYDMNFCNRFX-YGRLFVJLSA-N 1 0 322.836 5.214 20 30 DKEDRO C[C@@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512655052 340371301 /nfs/dbraw/zinc/37/13/01/340371301.db2.gz REYSRZBGIPKWHX-AUUYWEPGSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512655053 340371311 /nfs/dbraw/zinc/37/13/11/340371311.db2.gz REYSRZBGIPKWHX-IFXJQAMLSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512655054 340371340 /nfs/dbraw/zinc/37/13/40/340371340.db2.gz REYSRZBGIPKWHX-KUHUBIRLSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512655055 340371289 /nfs/dbraw/zinc/37/12/89/340371289.db2.gz REYSRZBGIPKWHX-LIRRHRJNSA-N 1 0 310.416 5.135 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000512658965 340371418 /nfs/dbraw/zinc/37/14/18/340371418.db2.gz BGHOUUJIYXBSFG-KPZWWZAWSA-N 1 0 316.807 5.153 20 30 DKEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000512658966 340371505 /nfs/dbraw/zinc/37/15/05/340371505.db2.gz BGHOUUJIYXBSFG-KZULUSFZSA-N 1 0 316.807 5.153 20 30 DKEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000512658967 340371453 /nfs/dbraw/zinc/37/14/53/340371453.db2.gz BGHOUUJIYXBSFG-SGTLLEGYSA-N 1 0 316.807 5.153 20 30 DKEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000512658968 340371487 /nfs/dbraw/zinc/37/14/87/340371487.db2.gz BGHOUUJIYXBSFG-XIKOKIGWSA-N 1 0 316.807 5.153 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512659674 340371536 /nfs/dbraw/zinc/37/15/36/340371536.db2.gz JECHBTBVCMLGMV-FOIQADDNSA-N 1 0 308.400 5.055 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512659675 340371539 /nfs/dbraw/zinc/37/15/39/340371539.db2.gz JECHBTBVCMLGMV-MGPUTAFESA-N 1 0 308.400 5.055 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512659676 340371606 /nfs/dbraw/zinc/37/16/06/340371606.db2.gz JECHBTBVCMLGMV-QRWLVFNGSA-N 1 0 308.400 5.055 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512659677 340371568 /nfs/dbraw/zinc/37/15/68/340371568.db2.gz JECHBTBVCMLGMV-YWZLYKJASA-N 1 0 308.400 5.055 20 30 DKEDRO Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512659995 340371541 /nfs/dbraw/zinc/37/15/41/340371541.db2.gz KYBUEMIVEZVJFT-FOIQADDNSA-N 1 0 310.416 5.054 20 30 DKEDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512659998 340371647 /nfs/dbraw/zinc/37/16/47/340371647.db2.gz KYBUEMIVEZVJFT-YWZLYKJASA-N 1 0 310.416 5.054 20 30 DKEDRO CC(C)C[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccs1 ZINC000512668091 340372155 /nfs/dbraw/zinc/37/21/55/340372155.db2.gz SQRGQFGDNLNIFR-DYVFJYSZSA-N 1 0 316.445 5.197 20 30 DKEDRO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccs1 ZINC000512668092 340372147 /nfs/dbraw/zinc/37/21/47/340372147.db2.gz SQRGQFGDNLNIFR-GUYCJALGSA-N 1 0 316.445 5.197 20 30 DKEDRO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccs1 ZINC000512668093 340372225 /nfs/dbraw/zinc/37/22/25/340372225.db2.gz SQRGQFGDNLNIFR-SUMWQHHRSA-N 1 0 316.445 5.197 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cc2ccccc2s1 ZINC000512668845 340372157 /nfs/dbraw/zinc/37/21/57/340372157.db2.gz WVUXABQPJCWRHO-CHWSQXEVSA-N 1 0 324.424 5.324 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1F ZINC000512668847 340372164 /nfs/dbraw/zinc/37/21/64/340372164.db2.gz WVUXABQPJCWRHO-OLZOCXBDSA-N 1 0 324.424 5.324 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cc2ccccc2s1 ZINC000512668848 340372140 /nfs/dbraw/zinc/37/21/40/340372140.db2.gz WVUXABQPJCWRHO-QWHCGFSZSA-N 1 0 324.424 5.324 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cc2ccccc2s1 ZINC000512668850 340372199 /nfs/dbraw/zinc/37/21/99/340372199.db2.gz WVUXABQPJCWRHO-STQMWFEESA-N 1 0 324.424 5.324 20 30 DKEDRO CC(C)c1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000512833375 340379784 /nfs/dbraw/zinc/37/97/84/340379784.db2.gz KXNGZNYSXNCYKA-NRFANRHFSA-N 1 0 306.453 5.169 20 30 DKEDRO CC(C)c1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000512833377 340379825 /nfs/dbraw/zinc/37/98/25/340379825.db2.gz KXNGZNYSXNCYKA-OAQYLSRUSA-N 1 0 306.453 5.169 20 30 DKEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)cc1 ZINC000513098205 340393252 /nfs/dbraw/zinc/39/32/52/340393252.db2.gz CMHGVMUXNPZUHI-INIZCTEOSA-N 1 0 321.420 5.157 20 30 DKEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2oc3ccccc3c2C)cc1 ZINC000513098206 340393286 /nfs/dbraw/zinc/39/32/86/340393286.db2.gz CMHGVMUXNPZUHI-MRXNPFEDSA-N 1 0 321.420 5.157 20 30 DKEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)c1 ZINC000513104966 340393582 /nfs/dbraw/zinc/39/35/82/340393582.db2.gz PJTBYZYIAZDMIV-INIZCTEOSA-N 1 0 321.420 5.157 20 30 DKEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2oc3ccccc3c2C)c1 ZINC000513104967 340393464 /nfs/dbraw/zinc/39/34/64/340393464.db2.gz PJTBYZYIAZDMIV-MRXNPFEDSA-N 1 0 321.420 5.157 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000513671798 340418519 /nfs/dbraw/zinc/41/85/19/340418519.db2.gz FVZJSFUOBAMOOR-OAHLLOKOSA-N 1 0 309.331 5.096 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1ccco1 ZINC000513692069 340419746 /nfs/dbraw/zinc/41/97/46/340419746.db2.gz YEMFQHPTJSOZDV-CVEARBPZSA-N 1 0 317.429 5.253 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccc2cc(OC)ccc2c1)c1ccco1 ZINC000514086947 333259252 /nfs/dbraw/zinc/25/92/52/333259252.db2.gz DQSWKPPYYIFOJO-FQEVSTJZSA-N 1 0 321.420 5.239 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc2cc(OC)ccc2c1)c1ccco1 ZINC000514086948 333259328 /nfs/dbraw/zinc/25/93/28/333259328.db2.gz DQSWKPPYYIFOJO-HXUWFJFHSA-N 1 0 321.420 5.239 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000514105306 336354794 /nfs/dbraw/zinc/35/47/94/336354794.db2.gz QKLIJKGSEOUCGW-HNNXBMFYSA-N 1 0 309.331 5.096 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000514105307 336354871 /nfs/dbraw/zinc/35/48/71/336354871.db2.gz QKLIJKGSEOUCGW-OAHLLOKOSA-N 1 0 309.331 5.096 20 30 DKEDRO Cc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1C ZINC000516199288 338007204 /nfs/dbraw/zinc/00/72/04/338007204.db2.gz XLYYEUSPRWJUDT-GHTZIAJQSA-N 1 0 306.453 5.389 20 30 DKEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1C ZINC000516199289 338007209 /nfs/dbraw/zinc/00/72/09/338007209.db2.gz XLYYEUSPRWJUDT-NQIIRXRSSA-N 1 0 306.453 5.389 20 30 DKEDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1C ZINC000516199290 338007289 /nfs/dbraw/zinc/00/72/89/338007289.db2.gz XLYYEUSPRWJUDT-RXVVDRJESA-N 1 0 306.453 5.389 20 30 DKEDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1C ZINC000516199291 338007243 /nfs/dbraw/zinc/00/72/43/338007243.db2.gz XLYYEUSPRWJUDT-WIYYLYMNSA-N 1 0 306.453 5.389 20 30 DKEDRO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000516987448 340460790 /nfs/dbraw/zinc/46/07/90/340460790.db2.gz RRJGVQFIPFBNSC-JLTOFOAXSA-N 1 0 322.477 5.008 20 30 DKEDRO CSc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000516987450 340460786 /nfs/dbraw/zinc/46/07/86/340460786.db2.gz RRJGVQFIPFBNSC-VBKZILBWSA-N 1 0 322.477 5.008 20 30 DKEDRO CSc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000516987451 340460763 /nfs/dbraw/zinc/46/07/63/340460763.db2.gz RRJGVQFIPFBNSC-VLIAUNLRSA-N 1 0 322.477 5.008 20 30 DKEDRO CSc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000516987452 340460776 /nfs/dbraw/zinc/46/07/76/340460776.db2.gz RRJGVQFIPFBNSC-XOBRGWDASA-N 1 0 322.477 5.008 20 30 DKEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccc1)C1CCCC1)CC2 ZINC000517228296 340466050 /nfs/dbraw/zinc/46/60/50/340466050.db2.gz KBUQBDCNBOCCKZ-VXKWHMMOSA-N 1 0 316.448 5.067 20 30 DKEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000518784524 333219762 /nfs/dbraw/zinc/21/97/62/333219762.db2.gz IEFLQRIQOMUEMT-UHFFFAOYSA-N 1 0 324.855 5.161 20 30 DKEDRO CSc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000519829952 335898671 /nfs/dbraw/zinc/89/86/71/335898671.db2.gz VRPUIJZJWWUNGL-JLTOFOAXSA-N 1 0 322.477 5.008 20 30 DKEDRO CSc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000519829958 335898681 /nfs/dbraw/zinc/89/86/81/335898681.db2.gz VRPUIJZJWWUNGL-VBKZILBWSA-N 1 0 322.477 5.008 20 30 DKEDRO CSc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000519829959 335898638 /nfs/dbraw/zinc/89/86/38/335898638.db2.gz VRPUIJZJWWUNGL-VLIAUNLRSA-N 1 0 322.477 5.008 20 30 DKEDRO CSc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000519829960 335898725 /nfs/dbraw/zinc/89/87/25/335898725.db2.gz VRPUIJZJWWUNGL-XOBRGWDASA-N 1 0 322.477 5.008 20 30 DKEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)c1 ZINC000520219803 335942614 /nfs/dbraw/zinc/94/26/14/335942614.db2.gz LMJIOIDNUZRGKC-UHFFFAOYSA-N 1 0 324.855 5.161 20 30 DKEDRO CCSc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000520294067 335959215 /nfs/dbraw/zinc/95/92/15/335959215.db2.gz QFHJZWFCDIWMST-VBKZILBWSA-N 1 0 322.477 5.008 20 30 DKEDRO CCSc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000520294068 335959287 /nfs/dbraw/zinc/95/92/87/335959287.db2.gz QFHJZWFCDIWMST-VLIAUNLRSA-N 1 0 322.477 5.008 20 30 DKEDRO CCSc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000520294069 335959304 /nfs/dbraw/zinc/95/93/04/335959304.db2.gz QFHJZWFCDIWMST-XOBRGWDASA-N 1 0 322.477 5.008 20 30 DKEDRO CC1(C)C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000520850943 340476352 /nfs/dbraw/zinc/47/63/52/340476352.db2.gz MZILGMGQJGDVJK-NHCUHLMSSA-N 1 0 318.464 5.434 20 30 DKEDRO CC1(C)C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000520850944 340476290 /nfs/dbraw/zinc/47/62/90/340476290.db2.gz MZILGMGQJGDVJK-RTWAWAEBSA-N 1 0 318.464 5.434 20 30 DKEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 ZINC000520959473 340477991 /nfs/dbraw/zinc/47/79/91/340477991.db2.gz MRNCLPLUINUAMK-FQEVSTJZSA-N 1 0 324.855 5.233 20 30 DKEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2cccc3ccccc32)c1 ZINC000521823122 340534454 /nfs/dbraw/zinc/53/44/54/340534454.db2.gz INHOUNFLNQUKNY-KRWDZBQOSA-N 1 0 317.432 5.255 20 30 DKEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2cccc3ccccc32)c1 ZINC000521823123 340534261 /nfs/dbraw/zinc/53/42/61/340534261.db2.gz INHOUNFLNQUKNY-QGZVFWFLSA-N 1 0 317.432 5.255 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cc2ccccc2s1 ZINC000525955992 337460910 /nfs/dbraw/zinc/46/09/10/337460910.db2.gz LGKLNVCLRMOOII-CHWSQXEVSA-N 1 0 324.424 5.324 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)c1ccc(C#N)c(F)c1 ZINC000525955993 337460851 /nfs/dbraw/zinc/46/08/51/337460851.db2.gz LGKLNVCLRMOOII-OLZOCXBDSA-N 1 0 324.424 5.324 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cc2ccccc2s1 ZINC000525955994 337460884 /nfs/dbraw/zinc/46/08/84/337460884.db2.gz LGKLNVCLRMOOII-QWHCGFSZSA-N 1 0 324.424 5.324 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cc2ccccc2s1 ZINC000525955995 337460838 /nfs/dbraw/zinc/46/08/38/337460838.db2.gz LGKLNVCLRMOOII-STQMWFEESA-N 1 0 324.424 5.324 20 30 DKEDRO CC[C@@H](C)[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000530879312 331632005 /nfs/dbraw/zinc/63/20/05/331632005.db2.gz UXCVJHRJNDDUQQ-PXAZEXFGSA-N 1 0 318.873 5.150 20 30 DKEDRO CC[C@H](C)[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000530879313 331632013 /nfs/dbraw/zinc/63/20/13/331632013.db2.gz UXCVJHRJNDDUQQ-SJCJKPOMSA-N 1 0 318.873 5.150 20 30 DKEDRO CC[C@@H](C)[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000530879314 331632040 /nfs/dbraw/zinc/63/20/40/331632040.db2.gz UXCVJHRJNDDUQQ-SJKOYZFVSA-N 1 0 318.873 5.150 20 30 DKEDRO CCC(CC)([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000530885568 331632711 /nfs/dbraw/zinc/63/27/11/331632711.db2.gz IVHVBVTYPVOMIF-UHFFFAOYSA-N 1 0 318.873 5.078 20 30 DKEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000531696081 333546718 /nfs/dbraw/zinc/54/67/18/333546718.db2.gz HJPUMEUUGZNTRU-FZMZJTMJSA-N 1 0 304.846 5.075 20 30 DKEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000531696082 333546607 /nfs/dbraw/zinc/54/66/07/333546607.db2.gz HJPUMEUUGZNTRU-RISCZKNCSA-N 1 0 304.846 5.075 20 30 DKEDRO CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000531950921 334308890 /nfs/dbraw/zinc/30/88/90/334308890.db2.gz DSNZCFCBASUJBX-CVEARBPZSA-N 1 0 324.493 5.471 20 30 DKEDRO CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000531950922 334308680 /nfs/dbraw/zinc/30/86/80/334308680.db2.gz DSNZCFCBASUJBX-HOTGVXAUSA-N 1 0 324.493 5.471 20 30 DKEDRO CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000531950923 334308676 /nfs/dbraw/zinc/30/86/76/334308676.db2.gz DSNZCFCBASUJBX-HZPDHXFCSA-N 1 0 324.493 5.471 20 30 DKEDRO CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000531950924 334308741 /nfs/dbraw/zinc/30/87/41/334308741.db2.gz DSNZCFCBASUJBX-JKSUJKDBSA-N 1 0 324.493 5.471 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 ZINC000531951386 334309154 /nfs/dbraw/zinc/30/91/54/334309154.db2.gz MMQFRZBBRKYEPM-NEPJUHHUSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1 ZINC000531951387 334309147 /nfs/dbraw/zinc/30/91/47/334309147.db2.gz MMQFRZBBRKYEPM-NWDGAFQWSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 ZINC000531951388 334308938 /nfs/dbraw/zinc/30/89/38/334308938.db2.gz MMQFRZBBRKYEPM-RYUDHWBXSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 ZINC000531951389 334309090 /nfs/dbraw/zinc/30/90/90/334309090.db2.gz MMQFRZBBRKYEPM-VXGBXAGGSA-N 1 0 319.235 5.277 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000531951502 334309224 /nfs/dbraw/zinc/30/92/24/334309224.db2.gz OHGFTKGNKNOZEJ-CVEARBPZSA-N 1 0 316.404 5.230 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2ccccc2)o1 ZINC000531951503 334309473 /nfs/dbraw/zinc/30/94/73/334309473.db2.gz OHGFTKGNKNOZEJ-HOTGVXAUSA-N 1 0 316.404 5.230 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(-c2ccccc2)o1 ZINC000531951504 334309218 /nfs/dbraw/zinc/30/92/18/334309218.db2.gz OHGFTKGNKNOZEJ-HZPDHXFCSA-N 1 0 316.404 5.230 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2ccccc2)o1 ZINC000531951505 334309358 /nfs/dbraw/zinc/30/93/58/334309358.db2.gz OHGFTKGNKNOZEJ-JKSUJKDBSA-N 1 0 316.404 5.230 20 30 DKEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000531960200 334316479 /nfs/dbraw/zinc/31/64/79/334316479.db2.gz KJAUBKZJOBJWPA-CYBMUJFWSA-N 1 0 318.873 5.413 20 30 DKEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000531960204 334316574 /nfs/dbraw/zinc/31/65/74/334316574.db2.gz KJAUBKZJOBJWPA-ZDUSSCGKSA-N 1 0 318.873 5.413 20 30 DKEDRO CC(C)C[C@H]([NH2+]CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000531960500 334316453 /nfs/dbraw/zinc/31/64/53/334316453.db2.gz UMMDVPXYDAJTCI-INIZCTEOSA-N 1 0 312.379 5.076 20 30 DKEDRO CC(C)C[C@@H]([NH2+]CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000531960501 334316463 /nfs/dbraw/zinc/31/64/63/334316463.db2.gz UMMDVPXYDAJTCI-MRXNPFEDSA-N 1 0 312.379 5.076 20 30 DKEDRO N#CCCCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531960759 334317128 /nfs/dbraw/zinc/31/71/28/334317128.db2.gz JFVGBEBZUXAKDD-DLBZAZTESA-N 1 0 324.390 5.015 20 30 DKEDRO N#CCCCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000531960760 334317145 /nfs/dbraw/zinc/31/71/45/334317145.db2.gz JFVGBEBZUXAKDD-IAGOWNOFSA-N 1 0 324.390 5.015 20 30 DKEDRO N#CCCCC[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531960761 334317100 /nfs/dbraw/zinc/31/71/00/334317100.db2.gz JFVGBEBZUXAKDD-IRXDYDNUSA-N 1 0 324.390 5.015 20 30 DKEDRO N#CCCCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000531960762 334317038 /nfs/dbraw/zinc/31/70/38/334317038.db2.gz JFVGBEBZUXAKDD-SJORKVTESA-N 1 0 324.390 5.015 20 30 DKEDRO Cc1cc2cc([C@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)oc2cc1C ZINC000532206438 335917550 /nfs/dbraw/zinc/91/75/50/335917550.db2.gz RKADQQSCPCXWDB-CVEARBPZSA-N 1 0 318.420 5.333 20 30 DKEDRO Cc1cc2cc([C@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)oc2cc1C ZINC000532206439 335917436 /nfs/dbraw/zinc/91/74/36/335917436.db2.gz RKADQQSCPCXWDB-HOTGVXAUSA-N 1 0 318.420 5.333 20 30 DKEDRO Cc1cc2cc([C@@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)oc2cc1C ZINC000532206440 335917476 /nfs/dbraw/zinc/91/74/76/335917476.db2.gz RKADQQSCPCXWDB-HZPDHXFCSA-N 1 0 318.420 5.333 20 30 DKEDRO Cc1cc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)oc2cc1C ZINC000532206441 335917582 /nfs/dbraw/zinc/91/75/82/335917582.db2.gz RKADQQSCPCXWDB-JKSUJKDBSA-N 1 0 318.420 5.333 20 30 DKEDRO N#CCCCC[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000532215945 335919614 /nfs/dbraw/zinc/91/96/14/335919614.db2.gz FUMFOZLHZGJXSO-NRFANRHFSA-N 1 0 306.453 5.034 20 30 DKEDRO N#Cc1csc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)c1 ZINC000533104828 337817547 /nfs/dbraw/zinc/81/75/47/337817547.db2.gz OJKZFOIANKGPIS-IBGZPJMESA-N 1 0 310.466 5.031 20 30 DKEDRO N#Cc1csc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)c1 ZINC000533104829 337817631 /nfs/dbraw/zinc/81/76/31/337817631.db2.gz OJKZFOIANKGPIS-LJQANCHMSA-N 1 0 310.466 5.031 20 30 DKEDRO CCC(CC)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccs1 ZINC000533309785 337840584 /nfs/dbraw/zinc/84/05/84/337840584.db2.gz PAAHDCNRNCVLQR-GOSISDBHSA-N 1 0 316.445 5.026 20 30 DKEDRO CCC(CC)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccs1 ZINC000533309787 337840579 /nfs/dbraw/zinc/84/05/79/337840579.db2.gz PAAHDCNRNCVLQR-SFHVURJKSA-N 1 0 316.445 5.026 20 30 DKEDRO CC(C)(C)c1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000533496309 331548608 /nfs/dbraw/zinc/54/86/08/331548608.db2.gz HGIWKZQADNWORN-HXUWFJFHSA-N 1 0 306.453 5.119 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)c1ccccc1 ZINC000536831040 337734338 /nfs/dbraw/zinc/73/43/38/337734338.db2.gz GGZJAAWWNDSJDG-MAUKXSAKSA-N 1 0 322.477 5.654 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)c1ccccc1 ZINC000536831052 337734375 /nfs/dbraw/zinc/73/43/75/337734375.db2.gz GGZJAAWWNDSJDG-YJBOKZPZSA-N 1 0 322.477 5.654 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(F)c(OC)c1)c1ccccc1 ZINC000536833617 337734854 /nfs/dbraw/zinc/73/48/54/337734854.db2.gz PYOGDANMIQZJEW-DNVCBOLYSA-N 1 0 313.416 5.192 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(OC)c1)c1ccccc1 ZINC000536833621 337734760 /nfs/dbraw/zinc/73/47/60/337734760.db2.gz PYOGDANMIQZJEW-HNAYVOBHSA-N 1 0 313.416 5.192 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc(F)c(OC)c1)c1ccccc1 ZINC000536833622 337734878 /nfs/dbraw/zinc/73/48/78/337734878.db2.gz PYOGDANMIQZJEW-KXBFYZLASA-N 1 0 313.416 5.192 20 30 DKEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccccc1 ZINC000537016005 337866175 /nfs/dbraw/zinc/86/61/75/337866175.db2.gz STAFQFYHBYJNQV-KRWDZBQOSA-N 1 0 312.416 5.076 20 30 DKEDRO Cc1c2ccccc2oc1[C@H]([NH2+]CCCC(C)(C)C#N)C(C)C ZINC000537057846 337884728 /nfs/dbraw/zinc/88/47/28/337884728.db2.gz XCAFXPZZHOLWAK-GOSISDBHSA-N 1 0 312.457 5.358 20 30 DKEDRO CC(C)(C#N)CCC[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000537122319 337893243 /nfs/dbraw/zinc/89/32/43/337893243.db2.gz OACJCFOQOKKKDG-UHFFFAOYSA-N 1 0 304.865 5.029 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1cc(C)nc2ccccc12)c1ccccc1 ZINC000537154357 337902906 /nfs/dbraw/zinc/90/29/06/337902906.db2.gz IIAVWPXBJHLMJX-OAQYLSRUSA-N 1 0 316.448 5.340 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccn(C(CC)CC)n1)c1ccccc1 ZINC000537157591 337902044 /nfs/dbraw/zinc/90/20/44/337902044.db2.gz NVJLRKSQIIIDNP-FQEVSTJZSA-N 1 0 311.473 5.041 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccn(C(CC)CC)n1)c1ccccc1 ZINC000537157592 337901978 /nfs/dbraw/zinc/90/19/78/337901978.db2.gz NVJLRKSQIIIDNP-HXUWFJFHSA-N 1 0 311.473 5.041 20 30 DKEDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCCC1)c1cccc(C#N)c1 ZINC000537296542 337929170 /nfs/dbraw/zinc/92/91/70/337929170.db2.gz CUYWQDRCQQHZPV-BTYIYWSLSA-N 1 0 322.427 5.279 20 30 DKEDRO C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)c1cccc(C#N)c1 ZINC000537296544 337929161 /nfs/dbraw/zinc/92/91/61/337929161.db2.gz CUYWQDRCQQHZPV-QVKFZJNVSA-N 1 0 322.427 5.279 20 30 DKEDRO C[C@@H]([NH2+][C@H](c1cccc(F)c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000537296918 337929211 /nfs/dbraw/zinc/92/92/11/337929211.db2.gz YAIBBZFGQLEHRC-AUUYWEPGSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@H]([NH2+][C@H](c1cccc(F)c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000537296919 337929194 /nfs/dbraw/zinc/92/91/94/337929194.db2.gz YAIBBZFGQLEHRC-IFXJQAMLSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@H]([NH2+][C@@H](c1cccc(F)c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000537296921 337929089 /nfs/dbraw/zinc/92/90/89/337929089.db2.gz YAIBBZFGQLEHRC-LIRRHRJNSA-N 1 0 310.416 5.135 20 30 DKEDRO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000537328809 337931218 /nfs/dbraw/zinc/93/12/18/337931218.db2.gz FWKRBXDRIJIJES-PXAZEXFGSA-N 1 0 318.873 5.150 20 30 DKEDRO CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537400343 337935413 /nfs/dbraw/zinc/93/54/13/337935413.db2.gz XCMPREVWTRZBNH-FOIQADDNSA-N 1 0 310.416 5.135 20 30 DKEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)s1 ZINC000537407765 337933755 /nfs/dbraw/zinc/93/37/55/337933755.db2.gz ZUJDUJPDIABUGI-YGRLFVJLSA-N 1 0 322.836 5.214 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2n1)c1ccccc1 ZINC000537946263 331508504 /nfs/dbraw/zinc/50/85/04/331508504.db2.gz XHWBJDUIJGASRT-DYESRHJHSA-N 1 0 316.448 5.593 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1ccccc1 ZINC000537946264 331508472 /nfs/dbraw/zinc/50/84/72/331508472.db2.gz XHWBJDUIJGASRT-LAUBAEHRSA-N 1 0 316.448 5.593 20 30 DKEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2ccccc2c1 ZINC000537950263 331565763 /nfs/dbraw/zinc/56/57/63/331565763.db2.gz OUMHMEOVEAKKAJ-HTAPYJJXSA-N 1 0 314.432 5.535 20 30 DKEDRO CCCc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000537951265 340792849 /nfs/dbraw/zinc/79/28/49/340792849.db2.gz GXSNQNHASCLMFK-UTKZUKDTSA-N 1 0 306.453 5.335 20 30 DKEDRO CCCc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000537951266 340792872 /nfs/dbraw/zinc/79/28/72/340792872.db2.gz GXSNQNHASCLMFK-UWJYYQICSA-N 1 0 306.453 5.335 20 30 DKEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000538113911 340809827 /nfs/dbraw/zinc/80/98/27/340809827.db2.gz QSSODUREFNDHTO-QHCPKHFHSA-N 1 0 324.427 5.002 20 30 DKEDRO CC(C)(C#N)c1ccccc1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000538188867 340812512 /nfs/dbraw/zinc/81/25/12/340812512.db2.gz RMEZSTSQZLYRGH-UHFFFAOYSA-N 1 0 318.464 5.047 20 30 DKEDRO C[C@@H]([NH2+]CCCCC#N)c1ccccc1-c1ccc(Cl)cc1 ZINC000538215953 340813798 /nfs/dbraw/zinc/81/37/98/340813798.db2.gz VWRDBFZYPVFHMT-OAHLLOKOSA-N 1 0 312.844 5.351 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000538260121 340815297 /nfs/dbraw/zinc/81/52/97/340815297.db2.gz XPIQRRVVZKUKNX-MRXNPFEDSA-N 1 0 314.498 5.238 20 30 DKEDRO C[C@H]([NH2+][C@H](c1cccc(F)c1)C1CCCC1)c1cccc(C#N)c1 ZINC000538393155 340820326 /nfs/dbraw/zinc/82/03/26/340820326.db2.gz HJXJATIGQQMPJD-BTYIYWSLSA-N 1 0 322.427 5.279 20 30 DKEDRO CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000538393279 340820303 /nfs/dbraw/zinc/82/03/03/340820303.db2.gz LBLLLRUOPCJHHK-CVEARBPZSA-N 1 0 324.493 5.471 20 30 DKEDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000538393604 340820449 /nfs/dbraw/zinc/82/04/49/340820449.db2.gz BNFHARBHEGXQGP-AUUYWEPGSA-N 1 0 312.844 5.260 20 30 DKEDRO CCC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000538396216 340820871 /nfs/dbraw/zinc/82/08/71/340820871.db2.gz WQVWKFQVZHZDRJ-DJJJIMSYSA-N 1 0 314.379 5.028 20 30 DKEDRO CCC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000538396220 331514343 /nfs/dbraw/zinc/51/43/43/331514343.db2.gz WQVWKFQVZHZDRJ-YJYMSZOUSA-N 1 0 314.379 5.028 20 30 DKEDRO C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)c1cccc(C#N)c1 ZINC000538396673 340820940 /nfs/dbraw/zinc/82/09/40/340820940.db2.gz XVESLENQHQLYGT-JLTOFOAXSA-N 1 0 324.855 5.404 20 30 DKEDRO C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)c1cccc(C#N)c1 ZINC000538396675 340820813 /nfs/dbraw/zinc/82/08/13/340820813.db2.gz XVESLENQHQLYGT-VLIAUNLRSA-N 1 0 324.855 5.404 20 30 DKEDRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)c2ccccc21)c1cccc(C#N)c1 ZINC000538407917 340821737 /nfs/dbraw/zinc/82/17/37/340821737.db2.gz OWHIFMWRUNNUTR-FOIQADDNSA-N 1 0 304.437 5.022 20 30 DKEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)c2ccccc21)c1cccc(C#N)c1 ZINC000538407924 340821761 /nfs/dbraw/zinc/82/17/61/340821761.db2.gz OWHIFMWRUNNUTR-YWZLYKJASA-N 1 0 304.437 5.022 20 30 DKEDRO N#Cc1ccc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)s1 ZINC000538426261 340823273 /nfs/dbraw/zinc/82/32/73/340823273.db2.gz CNXJYNYBEQNVFE-LJQANCHMSA-N 1 0 310.466 5.031 20 30 DKEDRO CC1(C)CC[C@H]2C[C@H]([NH2+]Cc3cc(C#N)cs3)c3cccc1c32 ZINC000538487688 340827705 /nfs/dbraw/zinc/82/77/05/340827705.db2.gz TUJVNQAQSDPLAL-KSSFIOAISA-N 1 0 322.477 5.009 20 30 DKEDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCCC1)c1ccc(C#N)c(F)c1 ZINC000538508053 340829530 /nfs/dbraw/zinc/82/95/30/340829530.db2.gz SYSHQARJLLKVLC-YCRPNKLZSA-N 1 0 322.427 5.279 20 30 DKEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000538508362 340829679 /nfs/dbraw/zinc/82/96/79/340829679.db2.gz JUWQEYZAEIPHGO-KZULUSFZSA-N 1 0 316.807 5.153 20 30 DKEDRO C[C@@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000538508454 340829630 /nfs/dbraw/zinc/82/96/30/340829630.db2.gz MYSWSPVAQLPXRJ-AUUYWEPGSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000538508456 340829628 /nfs/dbraw/zinc/82/96/28/340829628.db2.gz MYSWSPVAQLPXRJ-KUHUBIRLSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000538508457 340829683 /nfs/dbraw/zinc/82/96/83/340829683.db2.gz MYSWSPVAQLPXRJ-LIRRHRJNSA-N 1 0 310.416 5.135 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000539046382 340867020 /nfs/dbraw/zinc/86/70/20/340867020.db2.gz DUHZYCUGEFSYKT-HRAATJIYSA-N 1 0 307.437 5.075 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000539046383 340867118 /nfs/dbraw/zinc/86/71/18/340867118.db2.gz DUHZYCUGEFSYKT-IERDGZPVSA-N 1 0 307.437 5.075 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000539046385 340867029 /nfs/dbraw/zinc/86/70/29/340867029.db2.gz DUHZYCUGEFSYKT-KKSFZXQISA-N 1 0 307.437 5.075 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc2c(s1)CCCC2 ZINC000539048177 340867341 /nfs/dbraw/zinc/86/73/41/340867341.db2.gz BOCHFUWWJUYQLX-CRAIPNDOSA-N 1 0 324.493 5.323 20 30 DKEDRO N#CCC[C@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)c1ccccc1 ZINC000539048284 340867490 /nfs/dbraw/zinc/86/74/90/340867490.db2.gz DETVGWGDGWHPDB-PMACEKPBSA-N 1 0 324.855 5.352 20 30 DKEDRO N#CCC[C@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)c1ccccc1 ZINC000539048286 340867388 /nfs/dbraw/zinc/86/73/88/340867388.db2.gz DETVGWGDGWHPDB-VQTJNVASSA-N 1 0 324.855 5.352 20 30 DKEDRO N#CCC[C@@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)c1ccccc1 ZINC000539048287 340867495 /nfs/dbraw/zinc/86/74/95/340867495.db2.gz DETVGWGDGWHPDB-WOJBJXKFSA-N 1 0 324.855 5.352 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000539051414 340867912 /nfs/dbraw/zinc/86/79/12/340867912.db2.gz ICYSQLPPSPIGTQ-BBRMVZONSA-N 1 0 323.358 5.657 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000539051416 340867917 /nfs/dbraw/zinc/86/79/17/340867917.db2.gz ICYSQLPPSPIGTQ-CZUORRHYSA-N 1 0 323.358 5.657 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000539051417 340867865 /nfs/dbraw/zinc/86/78/65/340867865.db2.gz ICYSQLPPSPIGTQ-XJKSGUPXSA-N 1 0 323.358 5.657 20 30 DKEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc2ccccc21 ZINC000539052180 340868104 /nfs/dbraw/zinc/86/81/04/340868104.db2.gz FSTAOZMUOSWBRJ-HTAPYJJXSA-N 1 0 314.432 5.535 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc2ccccc21 ZINC000539052190 340868087 /nfs/dbraw/zinc/86/80/87/340868087.db2.gz FSTAOZMUOSWBRJ-JTSKRJEESA-N 1 0 314.432 5.535 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc2ccccc21 ZINC000539052193 340868077 /nfs/dbraw/zinc/86/80/77/340868077.db2.gz FSTAOZMUOSWBRJ-VGSWGCGISA-N 1 0 314.432 5.535 20 30 DKEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000539257193 340878686 /nfs/dbraw/zinc/87/86/86/340878686.db2.gz QVZJPCYUSDJIRK-MSOLQXFVSA-N 1 0 324.468 5.056 20 30 DKEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000539257194 340878587 /nfs/dbraw/zinc/87/85/87/340878587.db2.gz QVZJPCYUSDJIRK-QZTJIDSGSA-N 1 0 324.468 5.056 20 30 DKEDRO CCC(CC)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccs1 ZINC000539275735 340879052 /nfs/dbraw/zinc/87/90/52/340879052.db2.gz BWMAQALACQJXQQ-GOSISDBHSA-N 1 0 316.445 5.026 20 30 DKEDRO CC(C)(C#N)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000539276824 340879097 /nfs/dbraw/zinc/87/90/97/340879097.db2.gz OARRJAYYGDVAAJ-NRFANRHFSA-N 1 0 320.480 5.280 20 30 DKEDRO CC(C)(C#N)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000539276825 340879193 /nfs/dbraw/zinc/87/91/93/340879193.db2.gz OARRJAYYGDVAAJ-OAQYLSRUSA-N 1 0 320.480 5.280 20 30 DKEDRO CCC(CC)[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccs1 ZINC000539279208 340879166 /nfs/dbraw/zinc/87/91/66/340879166.db2.gz AYXXQFWGJHARKW-SFHVURJKSA-N 1 0 316.445 5.026 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000539291033 340879583 /nfs/dbraw/zinc/87/95/83/340879583.db2.gz CALUKXIOUWHKJD-FQEVSTJZSA-N 1 0 318.420 5.139 20 30 DKEDRO N#CCCCC[NH2+][C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000539331357 340881434 /nfs/dbraw/zinc/88/14/34/340881434.db2.gz JDHSCSYRKMWTCP-FCHUYYIVSA-N 1 0 318.464 5.131 20 30 DKEDRO N#CCCCC[NH2+][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000539331364 340881418 /nfs/dbraw/zinc/88/14/18/340881418.db2.gz JDHSCSYRKMWTCP-FGZHOGPDSA-N 1 0 318.464 5.131 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000539359985 340882538 /nfs/dbraw/zinc/88/25/38/340882538.db2.gz VVESBDFPAFDXSJ-NRFANRHFSA-N 1 0 318.464 5.285 20 30 DKEDRO CC(C)(C#N)CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000539360346 340882533 /nfs/dbraw/zinc/88/25/33/340882533.db2.gz ZAPACYXEYHWWQB-FQEVSTJZSA-N 1 0 324.443 5.029 20 30 DKEDRO Cc1ccccc1[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000539493100 340886845 /nfs/dbraw/zinc/88/68/45/340886845.db2.gz JERSSJORCFOCPI-OAQYLSRUSA-N 1 0 318.464 5.037 20 30 DKEDRO COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000539494941 340887254 /nfs/dbraw/zinc/88/72/54/340887254.db2.gz WZQMEEGHCPPGOI-JXFKEZNVSA-N 1 0 322.452 5.005 20 30 DKEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000539494942 340887211 /nfs/dbraw/zinc/88/72/11/340887211.db2.gz WZQMEEGHCPPGOI-OXJNMPFZSA-N 1 0 322.452 5.005 20 30 DKEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000539494943 340887158 /nfs/dbraw/zinc/88/71/58/340887158.db2.gz WZQMEEGHCPPGOI-OXQOHEQNSA-N 1 0 322.452 5.005 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000539495700 331747258 /nfs/dbraw/zinc/74/72/58/331747258.db2.gz DBZNRJYCTCNXJN-VXGBXAGGSA-N 1 0 319.235 5.277 20 30 DKEDRO CCCC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000539496769 340887559 /nfs/dbraw/zinc/88/75/59/340887559.db2.gz UMYKQUDNLQZWRS-HRAATJIYSA-N 1 0 322.452 5.149 20 30 DKEDRO CCCC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000539496772 340887480 /nfs/dbraw/zinc/88/74/80/340887480.db2.gz UMYKQUDNLQZWRS-KKSFZXQISA-N 1 0 322.452 5.149 20 30 DKEDRO C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(C#N)cc1 ZINC000539496810 340887539 /nfs/dbraw/zinc/88/75/39/340887539.db2.gz MESCNTHNZCZESR-JLTOFOAXSA-N 1 0 324.855 5.404 20 30 DKEDRO C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(C#N)cc1 ZINC000539496819 340887563 /nfs/dbraw/zinc/88/75/63/340887563.db2.gz MESCNTHNZCZESR-VLIAUNLRSA-N 1 0 324.855 5.404 20 30 DKEDRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(C#N)cc1 ZINC000539496820 340887550 /nfs/dbraw/zinc/88/75/50/340887550.db2.gz MESCNTHNZCZESR-XOBRGWDASA-N 1 0 324.855 5.404 20 30 DKEDRO C[C@H]([NH2+][C@H](c1cccc(F)c1)C(C)(C)C)c1cccc(C#N)c1 ZINC000539496861 340887473 /nfs/dbraw/zinc/88/74/73/340887473.db2.gz NFGAMXWXWYRXNU-IFXJQAMLSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@@H]([NH2+][C@@H](c1cccc(F)c1)C(C)(C)C)c1cccc(C#N)c1 ZINC000539496862 340887586 /nfs/dbraw/zinc/88/75/86/340887586.db2.gz NFGAMXWXWYRXNU-KUHUBIRLSA-N 1 0 310.416 5.135 20 30 DKEDRO C[C@H]([NH2+][C@@H](c1cccc(F)c1)C(C)(C)C)c1cccc(C#N)c1 ZINC000539496864 340887606 /nfs/dbraw/zinc/88/76/06/340887606.db2.gz NFGAMXWXWYRXNU-LIRRHRJNSA-N 1 0 310.416 5.135 20 30 DKEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000539497241 340887638 /nfs/dbraw/zinc/88/76/38/340887638.db2.gz SAWCEEASBPFZQV-BXUZGUMPSA-N 1 0 304.846 5.075 20 30 DKEDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCCC1)c1cccc(C#N)c1 ZINC000539500195 340887993 /nfs/dbraw/zinc/88/79/93/340887993.db2.gz UBTSMRXQQYMODX-HRAATJIYSA-N 1 0 304.437 5.140 20 30 DKEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCCC1)c1cccc(C#N)c1 ZINC000539500196 340887966 /nfs/dbraw/zinc/88/79/66/340887966.db2.gz UBTSMRXQQYMODX-IERDGZPVSA-N 1 0 304.437 5.140 20 30 DKEDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000539608288 340892285 /nfs/dbraw/zinc/89/22/85/340892285.db2.gz CFPFEWJDKBESPN-YWZLYKJASA-N 1 0 310.416 5.054 20 30 DKEDRO CC(C)C[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cccs1 ZINC000539608471 340892264 /nfs/dbraw/zinc/89/22/64/340892264.db2.gz MRPBJDJDILUNOJ-DYVFJYSZSA-N 1 0 316.445 5.197 20 30 DKEDRO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccs1 ZINC000539608472 340892375 /nfs/dbraw/zinc/89/23/75/340892375.db2.gz MRPBJDJDILUNOJ-GUYCJALGSA-N 1 0 316.445 5.197 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000539610628 340892739 /nfs/dbraw/zinc/89/27/39/340892739.db2.gz IITVQAVILIKLBH-FOIQADDNSA-N 1 0 308.400 5.055 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000539610761 340892661 /nfs/dbraw/zinc/89/26/61/340892661.db2.gz IITVQAVILIKLBH-MGPUTAFESA-N 1 0 308.400 5.055 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000539610763 340892760 /nfs/dbraw/zinc/89/27/60/340892760.db2.gz IITVQAVILIKLBH-QRWLVFNGSA-N 1 0 308.400 5.055 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccoc1)c1ccc(C(F)(F)F)cc1 ZINC000540149037 340917267 /nfs/dbraw/zinc/91/72/67/340917267.db2.gz LJYGTFHFXZCRMB-CXAGYDPISA-N 1 0 323.358 5.657 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccoc1)c1ccc(C(F)(F)F)cc1 ZINC000540149038 340917214 /nfs/dbraw/zinc/91/72/14/340917214.db2.gz LJYGTFHFXZCRMB-DYVFJYSZSA-N 1 0 323.358 5.657 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccc(C(F)(F)F)cc1 ZINC000540149040 340917225 /nfs/dbraw/zinc/91/72/25/340917225.db2.gz LJYGTFHFXZCRMB-SUMWQHHRSA-N 1 0 323.358 5.657 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(F)c1)c1ccccc1 ZINC000540150278 340917439 /nfs/dbraw/zinc/91/74/39/340917439.db2.gz GQGFYPDOENAQKD-DNVCBOLYSA-N 1 0 313.416 5.192 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(F)c1)c1ccccc1 ZINC000540150280 340917447 /nfs/dbraw/zinc/91/74/47/340917447.db2.gz GQGFYPDOENAQKD-KXBFYZLASA-N 1 0 313.416 5.192 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H](C)c1sc(CC)nc1C)c1ccccc1 ZINC000540150307 340917436 /nfs/dbraw/zinc/91/74/36/340917436.db2.gz IBVDHOVEJWHYSI-PBHICJAKSA-N 1 0 314.498 5.372 20 30 DKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1sc(CC)nc1C)c1ccccc1 ZINC000540150309 340917481 /nfs/dbraw/zinc/91/74/81/340917481.db2.gz IBVDHOVEJWHYSI-WMLDXEAASA-N 1 0 314.498 5.372 20 30 DKEDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1C ZINC000540151859 340917714 /nfs/dbraw/zinc/91/77/14/340917714.db2.gz BJGWRPMIILPTAS-WIYYLYMNSA-N 1 0 306.453 5.308 20 30 DKEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540326080 340927084 /nfs/dbraw/zinc/92/70/84/340927084.db2.gz IASCICZOXHQYEJ-MSOLQXFVSA-N 1 0 324.468 5.056 20 30 DKEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540326083 340927072 /nfs/dbraw/zinc/92/70/72/340927072.db2.gz IASCICZOXHQYEJ-ROUUACIJSA-N 1 0 324.468 5.056 20 30 DKEDRO CC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(C)cc1 ZINC000540355494 340928303 /nfs/dbraw/zinc/92/83/03/340928303.db2.gz GCDKPSZVWCCHLL-HXUWFJFHSA-N 1 0 306.453 5.037 20 30 DKEDRO CCC(CC)[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccs1 ZINC000540378562 333265543 /nfs/dbraw/zinc/26/55/43/333265543.db2.gz AEBWCFGVPYDXNG-GOSISDBHSA-N 1 0 316.445 5.026 20 30 DKEDRO CCC(CC)[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccs1 ZINC000540378569 333265585 /nfs/dbraw/zinc/26/55/85/333265585.db2.gz AEBWCFGVPYDXNG-SFHVURJKSA-N 1 0 316.445 5.026 20 30 DKEDRO CCC(CC)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccs1 ZINC000540381760 340928880 /nfs/dbraw/zinc/92/88/80/340928880.db2.gz XYROUSUZZAEXFD-GOSISDBHSA-N 1 0 316.445 5.026 20 30 DKEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CCCC(C)(C)C#N ZINC000540426531 340930975 /nfs/dbraw/zinc/93/09/75/340930975.db2.gz GMRGNCZXIAJNEJ-GOSISDBHSA-N 1 0 316.489 5.092 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccccc1OC(F)F)c1ccccc1 ZINC000540456168 340932015 /nfs/dbraw/zinc/93/20/15/340932015.db2.gz GFUBWWIAHQJPLR-KRWDZBQOSA-N 1 0 317.379 5.085 20 30 DKEDRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000540525313 340934850 /nfs/dbraw/zinc/93/48/50/340934850.db2.gz SWGGRRHXRADVFD-BBNYVJOESA-N 1 0 324.855 5.260 20 30 DKEDRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000540525314 340934886 /nfs/dbraw/zinc/93/48/86/340934886.db2.gz SWGGRRHXRADVFD-RYMBOPBQSA-N 1 0 324.855 5.260 20 30 DKEDRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540525316 340934899 /nfs/dbraw/zinc/93/48/99/340934899.db2.gz SWGGRRHXRADVFD-WZBLMQSHSA-N 1 0 324.855 5.260 20 30 DKEDRO CC(C)(C)C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000540589204 340936620 /nfs/dbraw/zinc/93/66/20/340936620.db2.gz QKIJXCABCSGLAE-KRWDZBQOSA-N 1 0 316.445 5.026 20 30 DKEDRO C[C@@H]([NH2+][C@H](c1ccccc1F)C1CCCC1)c1cccc(C#N)c1 ZINC000540591031 340936806 /nfs/dbraw/zinc/93/68/06/340936806.db2.gz DDPWIPWTEIBDAZ-VFNWGFHPSA-N 1 0 322.427 5.279 20 30 DKEDRO Cc1ccccc1[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(C)(C)C ZINC000540592175 518191025 /nfs/dbraw/zinc/19/10/25/518191025.db2.gz UEFZTYROKPPWQG-OXQOHEQNSA-N 1 0 306.453 5.305 20 30 DKEDRO Cc1ccccc1[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(C)(C)C ZINC000540592176 340937013 /nfs/dbraw/zinc/93/70/13/340937013.db2.gz UEFZTYROKPPWQG-UZLBHIALSA-N 1 0 306.453 5.305 20 30 DKEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000540594503 340937346 /nfs/dbraw/zinc/93/73/46/340937346.db2.gz KPVJKOLGGFINLI-YJYMSZOUSA-N 1 0 314.379 5.028 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2cc(Cl)ccc2o1 ZINC000540596825 340937812 /nfs/dbraw/zinc/93/78/12/340937812.db2.gz JFWHSXLOZHVJSF-STQMWFEESA-N 1 0 324.811 5.370 20 30 DKEDRO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)C ZINC000540598546 340937925 /nfs/dbraw/zinc/93/79/25/340937925.db2.gz GUSDHOCARSCLJR-SFHVURJKSA-N 1 0 324.449 5.161 20 30 DKEDRO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000540613677 340938854 /nfs/dbraw/zinc/93/88/54/340938854.db2.gz LZPJIGKWMPPQAY-KRWDZBQOSA-N 1 0 318.873 5.150 20 30 DKEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000540613684 340938961 /nfs/dbraw/zinc/93/89/61/340938961.db2.gz LZPJIGKWMPPQAY-QGZVFWFLSA-N 1 0 318.873 5.150 20 30 DKEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000540705560 340942258 /nfs/dbraw/zinc/94/22/58/340942258.db2.gz TZPSNTLPFSBAKT-KPZWWZAWSA-N 1 0 316.807 5.153 20 30 DKEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000540705562 340942279 /nfs/dbraw/zinc/94/22/79/340942279.db2.gz TZPSNTLPFSBAKT-SGTLLEGYSA-N 1 0 316.807 5.153 20 30 DKEDRO C[C@H]([NH2+]Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541090973 340958833 /nfs/dbraw/zinc/95/88/33/340958833.db2.gz XQSHXRJRDHKTDT-KRWDZBQOSA-N 1 0 312.416 5.076 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccco1 ZINC000541176031 340960749 /nfs/dbraw/zinc/96/07/49/340960749.db2.gz OTBOZNDPBIFHNC-HZPDHXFCSA-N 1 0 316.404 5.230 20 30 DKEDRO CCC(CC)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccs1 ZINC000541325507 340967237 /nfs/dbraw/zinc/96/72/37/340967237.db2.gz AHDSOKYVNHKUNN-LJQANCHMSA-N 1 0 312.482 5.081 20 30 DKEDRO N#CCc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000541327983 340967382 /nfs/dbraw/zinc/96/73/82/340967382.db2.gz KXPDRFHQQMECLK-FQEVSTJZSA-N 1 0 324.855 5.037 20 30 DKEDRO N#CCc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000541327985 340967295 /nfs/dbraw/zinc/96/72/95/340967295.db2.gz KXPDRFHQQMECLK-HXUWFJFHSA-N 1 0 324.855 5.037 20 30 DKEDRO N#CCc1ccc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)cc1 ZINC000541329197 340967272 /nfs/dbraw/zinc/96/72/72/340967272.db2.gz ZVKUPULIYNGYHP-QFIPXVFZSA-N 1 0 318.464 5.164 20 30 DKEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(-c2ccccc2Cl)s1 ZINC000541568528 340975022 /nfs/dbraw/zinc/97/50/22/340975022.db2.gz VFPHWLDJCHQOAP-GFCCVEGCSA-N 1 0 304.846 5.023 20 30 DKEDRO C[C@H]([NH2+]CCCC#N)c1ccc(-c2ccccc2Cl)s1 ZINC000541568529 340975108 /nfs/dbraw/zinc/97/51/08/340975108.db2.gz VFPHWLDJCHQOAP-LBPRGKRZSA-N 1 0 304.846 5.023 20 30 DKEDRO C[C@H]([NH2+]CCCC#N)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000541738827 340981715 /nfs/dbraw/zinc/98/17/15/340981715.db2.gz SNRYEBFXVTXASL-NSHDSACASA-N 1 0 322.836 5.162 20 30 DKEDRO CC(C)(C)C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000542255062 341002276 /nfs/dbraw/zinc/00/22/76/341002276.db2.gz AVZYUVXWIXNUME-FQEVSTJZSA-N 1 0 306.453 5.020 20 30 DKEDRO CC(C)(C)C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000542255063 341002333 /nfs/dbraw/zinc/00/23/33/341002333.db2.gz AVZYUVXWIXNUME-HXUWFJFHSA-N 1 0 306.453 5.020 20 30 DKEDRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000542260041 341002352 /nfs/dbraw/zinc/00/23/52/341002352.db2.gz VJZTXXFISWHWEO-INIZCTEOSA-N 1 0 324.493 5.104 20 30 DKEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000542260045 341002424 /nfs/dbraw/zinc/00/24/24/341002424.db2.gz VJZTXXFISWHWEO-MRXNPFEDSA-N 1 0 324.493 5.104 20 30 DKEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000542493471 341010324 /nfs/dbraw/zinc/01/03/24/341010324.db2.gz BCMNNIPKRSXZKO-BTYIYWSLSA-N 1 0 320.411 5.018 20 30 DKEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000542493477 341010244 /nfs/dbraw/zinc/01/02/44/341010244.db2.gz BCMNNIPKRSXZKO-QVKFZJNVSA-N 1 0 320.411 5.018 20 30 DKEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000542493478 341010308 /nfs/dbraw/zinc/01/03/08/341010308.db2.gz BCMNNIPKRSXZKO-VFNWGFHPSA-N 1 0 320.411 5.018 20 30 DKEDRO C=CC[C@H](C)[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000542493479 341010314 /nfs/dbraw/zinc/01/03/14/341010314.db2.gz BCMNNIPKRSXZKO-YCRPNKLZSA-N 1 0 320.411 5.018 20 30 DKEDRO CC(C)[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)cc1F ZINC000542919828 341026465 /nfs/dbraw/zinc/02/64/65/341026465.db2.gz UUAFVHRDPRJKRB-INIZCTEOSA-N 1 0 310.844 5.096 20 30 DKEDRO CC(C)[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)cc1F ZINC000542919829 341026475 /nfs/dbraw/zinc/02/64/75/341026475.db2.gz UUAFVHRDPRJKRB-MRXNPFEDSA-N 1 0 310.844 5.096 20 30 DKEDRO CC(C)(C)C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000543185030 341035821 /nfs/dbraw/zinc/03/58/21/341035821.db2.gz IBNSTUCBIHPMMY-FQEVSTJZSA-N 1 0 324.443 5.159 20 30 DKEDRO CC(C)(C)C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000543185039 341035810 /nfs/dbraw/zinc/03/58/10/341035810.db2.gz IBNSTUCBIHPMMY-HXUWFJFHSA-N 1 0 324.443 5.159 20 30 DKEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)C(c1ccccc1)c1ccccc1 ZINC000543487715 341047122 /nfs/dbraw/zinc/04/71/22/341047122.db2.gz RZADDXWLNLLNNG-GOSISDBHSA-N 1 0 320.480 5.127 20 30 DKEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)C(c1ccccc1)c1ccccc1 ZINC000543487716 341047200 /nfs/dbraw/zinc/04/72/00/341047200.db2.gz RZADDXWLNLLNNG-SFHVURJKSA-N 1 0 320.480 5.127 20 30 DKEDRO C[C@H]([NH2+]Cc1ccsc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543877334 341062321 /nfs/dbraw/zinc/06/23/21/341062321.db2.gz YBADFECZIDQDBC-HNNXBMFYSA-N 1 0 318.445 5.138 20 30 DKEDRO C[C@@H]([NH2+]Cc1ccsc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543877335 341062390 /nfs/dbraw/zinc/06/23/90/341062390.db2.gz YBADFECZIDQDBC-OAHLLOKOSA-N 1 0 318.445 5.138 20 30 DKEDRO CCC(CC)[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000544120904 341070959 /nfs/dbraw/zinc/07/09/59/341070959.db2.gz UAWWHGPBOGTNLA-NRFANRHFSA-N 1 0 306.453 5.020 20 30 DKEDRO CCC(CC)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000544120905 341071030 /nfs/dbraw/zinc/07/10/30/341071030.db2.gz UAWWHGPBOGTNLA-OAQYLSRUSA-N 1 0 306.453 5.020 20 30 DKEDRO N#CCC[C@@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000544369823 341078665 /nfs/dbraw/zinc/07/86/65/341078665.db2.gz DKNJKNNXJQKKGL-LYBXBRPPSA-N 1 0 324.855 5.221 20 30 DKEDRO N#CCC[C@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000544369827 341078644 /nfs/dbraw/zinc/07/86/44/341078644.db2.gz DKNJKNNXJQKKGL-UUKMXZOPSA-N 1 0 324.855 5.221 20 30 DKEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000544387106 341079613 /nfs/dbraw/zinc/07/96/13/341079613.db2.gz VPVQLDJPRHDEIW-GFCCVEGCSA-N 1 0 304.846 5.023 20 30 DKEDRO C[C@H]([NH2+]CCCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000544387108 341079677 /nfs/dbraw/zinc/07/96/77/341079677.db2.gz VPVQLDJPRHDEIW-LBPRGKRZSA-N 1 0 304.846 5.023 20 30 DKEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(Cl)c2ccccc21 ZINC000545902420 341145173 /nfs/dbraw/zinc/14/51/73/341145173.db2.gz BNBRLINGFMEKGE-CYBMUJFWSA-N 1 0 300.833 5.084 20 30 DKEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(Cl)c2ccccc21 ZINC000545902425 341145146 /nfs/dbraw/zinc/14/51/46/341145146.db2.gz BNBRLINGFMEKGE-ZDUSSCGKSA-N 1 0 300.833 5.084 20 30 DKEDRO Cc1ccccc1C([NH2+]CCCC(C)(C)C#N)c1ccccc1C ZINC000546180034 341156306 /nfs/dbraw/zinc/15/63/06/341156306.db2.gz DDLSLWRBMKOAAI-UHFFFAOYSA-N 1 0 320.480 5.312 20 30 DKEDRO CC(C)Oc1ccc2ccccc2c1C[NH2+]CC(C)(C)CCC#N ZINC000547334109 341206583 /nfs/dbraw/zinc/20/65/83/341206583.db2.gz HJVFULXIWUAGFH-UHFFFAOYSA-N 1 0 324.468 5.047 20 30 DKEDRO CC(C)(C#N)CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000548928216 341281343 /nfs/dbraw/zinc/28/13/43/341281343.db2.gz TYAOGVAOAIAGQW-ACDBMABISA-N 1 0 310.485 5.117 20 30 DKEDRO C[C@H]([NH2+]Cc1ccc(-c2ccsc2)cc1)c1ccc(C#N)cc1 ZINC000549166682 341287810 /nfs/dbraw/zinc/28/78/10/341287810.db2.gz SZWFLFYYLROKNK-HNNXBMFYSA-N 1 0 318.445 5.138 20 30 DKEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccsc2)cc1)c1ccc(C#N)cc1 ZINC000549166683 341287801 /nfs/dbraw/zinc/28/78/01/341287801.db2.gz SZWFLFYYLROKNK-OAHLLOKOSA-N 1 0 318.445 5.138 20 30 DKEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1-c1ccc(Cl)cc1 ZINC000549927991 341307109 /nfs/dbraw/zinc/30/71/09/341307109.db2.gz JQKUCKSCPPHZKA-DAYGRLMNSA-N 1 0 324.855 5.350 20 30 DKEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1-c1ccc(Cl)cc1 ZINC000549927994 341307123 /nfs/dbraw/zinc/30/71/23/341307123.db2.gz JQKUCKSCPPHZKA-HDMKZQKVSA-N 1 0 324.855 5.350 20 30 DKEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1-c1ccc(Cl)cc1 ZINC000549927995 341307116 /nfs/dbraw/zinc/30/71/16/341307116.db2.gz JQKUCKSCPPHZKA-MPGHIAIKSA-N 1 0 324.855 5.350 20 30 DKEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1-c1ccc(Cl)cc1 ZINC000549927996 341307034 /nfs/dbraw/zinc/30/70/34/341307034.db2.gz JQKUCKSCPPHZKA-RLFYNMQTSA-N 1 0 324.855 5.350 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000550827520 341323766 /nfs/dbraw/zinc/32/37/66/341323766.db2.gz MLLRHSCYQAPXNZ-BEFAXECRSA-N 1 0 312.844 5.426 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000550827521 341323812 /nfs/dbraw/zinc/32/38/12/341323812.db2.gz MLLRHSCYQAPXNZ-DNVCBOLYSA-N 1 0 312.844 5.426 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000550827522 341323853 /nfs/dbraw/zinc/32/38/53/341323853.db2.gz MLLRHSCYQAPXNZ-HNAYVOBHSA-N 1 0 312.844 5.426 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000550827523 341323729 /nfs/dbraw/zinc/32/37/29/341323729.db2.gz MLLRHSCYQAPXNZ-KXBFYZLASA-N 1 0 312.844 5.426 20 30 DKEDRO CCc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000550828961 341323733 /nfs/dbraw/zinc/32/37/33/341323733.db2.gz QDNXAZHFHATPHV-DYESRHJHSA-N 1 0 306.453 5.335 20 30 DKEDRO CCc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000550828962 341323758 /nfs/dbraw/zinc/32/37/58/341323758.db2.gz QDNXAZHFHATPHV-LAUBAEHRSA-N 1 0 306.453 5.335 20 30 DKEDRO CCc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550828963 341323718 /nfs/dbraw/zinc/32/37/18/341323718.db2.gz QDNXAZHFHATPHV-UTKZUKDTSA-N 1 0 306.453 5.335 20 30 DKEDRO CCc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550828964 341323720 /nfs/dbraw/zinc/32/37/20/341323720.db2.gz QDNXAZHFHATPHV-UWJYYQICSA-N 1 0 306.453 5.335 20 30 DKEDRO CC(C)c1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550829093 341323869 /nfs/dbraw/zinc/32/38/69/341323869.db2.gz AVJXVFRLACUPLI-AVRDEDQJSA-N 1 0 320.480 5.896 20 30 DKEDRO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550829094 341323867 /nfs/dbraw/zinc/32/38/67/341323867.db2.gz AVJXVFRLACUPLI-GCJKJVERSA-N 1 0 320.480 5.896 20 30 DKEDRO CC(C)c1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000550829095 341323912 /nfs/dbraw/zinc/32/39/12/341323912.db2.gz AVJXVFRLACUPLI-PGRDOPGGSA-N 1 0 320.480 5.896 20 30 DKEDRO CC(C)c1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000550829096 341323937 /nfs/dbraw/zinc/32/39/37/341323937.db2.gz AVJXVFRLACUPLI-XMSQKQJNSA-N 1 0 320.480 5.896 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000550829552 341323920 /nfs/dbraw/zinc/32/39/20/341323920.db2.gz XWFGJQHMYPKRFO-PMACEKPBSA-N 1 0 324.855 5.352 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000550829553 341323863 /nfs/dbraw/zinc/32/38/63/341323863.db2.gz XWFGJQHMYPKRFO-UXHICEINSA-N 1 0 324.855 5.352 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000550829554 341323962 /nfs/dbraw/zinc/32/39/62/341323962.db2.gz XWFGJQHMYPKRFO-VQTJNVASSA-N 1 0 324.855 5.352 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000550829555 341323902 /nfs/dbraw/zinc/32/39/02/341323902.db2.gz XWFGJQHMYPKRFO-WOJBJXKFSA-N 1 0 324.855 5.352 20 30 DKEDRO CCCc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550834681 341324079 /nfs/dbraw/zinc/32/40/79/341324079.db2.gz BXDZVJCNLVUDDN-AVRDEDQJSA-N 1 0 320.480 5.725 20 30 DKEDRO CCCc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550834682 341324105 /nfs/dbraw/zinc/32/41/05/341324105.db2.gz BXDZVJCNLVUDDN-GCJKJVERSA-N 1 0 320.480 5.725 20 30 DKEDRO CCCc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000550834683 341324064 /nfs/dbraw/zinc/32/40/64/341324064.db2.gz BXDZVJCNLVUDDN-PGRDOPGGSA-N 1 0 320.480 5.725 20 30 DKEDRO CCCc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000550834684 341324055 /nfs/dbraw/zinc/32/40/55/341324055.db2.gz BXDZVJCNLVUDDN-XMSQKQJNSA-N 1 0 320.480 5.725 20 30 DKEDRO C=CCC(C)(C)C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000550856022 341324556 /nfs/dbraw/zinc/32/45/56/341324556.db2.gz QEQOGEOOHIBAGY-FQEVSTJZSA-N 1 0 320.436 5.109 20 30 DKEDRO C=CCC(C)(C)C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000550856023 341324579 /nfs/dbraw/zinc/32/45/79/341324579.db2.gz QEQOGEOOHIBAGY-HXUWFJFHSA-N 1 0 320.436 5.109 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c2ccccc21)c1ccc(C#N)cc1 ZINC000551007059 341328946 /nfs/dbraw/zinc/32/89/46/341328946.db2.gz CRPVYCZTKWRYNZ-CABCVRRESA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c2ccccc21)c1ccc(C#N)cc1 ZINC000551007069 341328908 /nfs/dbraw/zinc/32/89/08/341328908.db2.gz CRPVYCZTKWRYNZ-GJZGRUSLSA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)c2ccccc21)c1ccc(C#N)cc1 ZINC000551007070 341328920 /nfs/dbraw/zinc/32/89/20/341328920.db2.gz CRPVYCZTKWRYNZ-HUUCEWRRSA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000551007071 341328971 /nfs/dbraw/zinc/32/89/71/341328971.db2.gz CRPVYCZTKWRYNZ-LSDHHAIUSA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c2ccccc21)c1cccc(C#N)c1 ZINC000551039152 341330018 /nfs/dbraw/zinc/33/00/18/341330018.db2.gz MHCWFIYUOLWUQF-CABCVRRESA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c2ccccc21)c1cccc(C#N)c1 ZINC000551039153 341329976 /nfs/dbraw/zinc/32/99/76/341329976.db2.gz MHCWFIYUOLWUQF-GJZGRUSLSA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)c2ccccc21)c1cccc(C#N)c1 ZINC000551039154 341329965 /nfs/dbraw/zinc/32/99/65/341329965.db2.gz MHCWFIYUOLWUQF-HUUCEWRRSA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000551039155 341329955 /nfs/dbraw/zinc/32/99/55/341329955.db2.gz MHCWFIYUOLWUQF-LSDHHAIUSA-N 1 0 318.395 5.262 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000551204097 341333760 /nfs/dbraw/zinc/33/37/60/341333760.db2.gz ABEVUWNBBPVBSB-DZGCQCFKSA-N 1 0 318.873 5.487 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000551204109 341333839 /nfs/dbraw/zinc/33/38/39/341333839.db2.gz ABEVUWNBBPVBSB-HIFRSBDPSA-N 1 0 318.873 5.487 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000551204111 341333812 /nfs/dbraw/zinc/33/38/12/341333812.db2.gz ABEVUWNBBPVBSB-UKRRQHHQSA-N 1 0 318.873 5.487 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000551204113 341333833 /nfs/dbraw/zinc/33/38/33/341333833.db2.gz ABEVUWNBBPVBSB-ZFWWWQNUSA-N 1 0 318.873 5.487 20 30 DKEDRO CCc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000551204873 341333798 /nfs/dbraw/zinc/33/37/98/341333798.db2.gz GNHJQZUVAASPMX-CRAIPNDOSA-N 1 0 312.482 5.396 20 30 DKEDRO CCc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000551204874 341333831 /nfs/dbraw/zinc/33/38/31/341333831.db2.gz GNHJQZUVAASPMX-MAUKXSAKSA-N 1 0 312.482 5.396 20 30 DKEDRO CCc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000551204875 341333836 /nfs/dbraw/zinc/33/38/36/341333836.db2.gz GNHJQZUVAASPMX-QAPCUYQASA-N 1 0 312.482 5.396 20 30 DKEDRO CCc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000551204876 341333843 /nfs/dbraw/zinc/33/38/43/341333843.db2.gz GNHJQZUVAASPMX-YJBOKZPZSA-N 1 0 312.482 5.396 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000551212327 341334046 /nfs/dbraw/zinc/33/40/46/341334046.db2.gz ZJTDQMFEIINTNC-PMACEKPBSA-N 1 0 324.855 5.352 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000551212328 341334083 /nfs/dbraw/zinc/33/40/83/341334083.db2.gz ZJTDQMFEIINTNC-UXHICEINSA-N 1 0 324.855 5.352 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000551212329 341334115 /nfs/dbraw/zinc/33/41/15/341334115.db2.gz ZJTDQMFEIINTNC-VQTJNVASSA-N 1 0 324.855 5.352 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000551212330 341334101 /nfs/dbraw/zinc/33/41/01/341334101.db2.gz ZJTDQMFEIINTNC-WOJBJXKFSA-N 1 0 324.855 5.352 20 30 DKEDRO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000551353665 341339327 /nfs/dbraw/zinc/33/93/27/341339327.db2.gz KUYVZVNKRYHAIB-GFCCVEGCSA-N 1 0 319.235 5.058 20 30 DKEDRO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000551353668 341339291 /nfs/dbraw/zinc/33/92/91/341339291.db2.gz KUYVZVNKRYHAIB-LBPRGKRZSA-N 1 0 319.235 5.058 20 30 DKEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)s1 ZINC000551555075 341345248 /nfs/dbraw/zinc/34/52/48/341345248.db2.gz RKAPLASGPNUDAX-AWEZNQCLSA-N 1 0 316.857 5.003 20 30 DKEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)s1 ZINC000551555087 341345165 /nfs/dbraw/zinc/34/51/65/341345165.db2.gz RKAPLASGPNUDAX-CQSZACIVSA-N 1 0 316.857 5.003 20 30 DKEDRO CCSc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551556188 341345150 /nfs/dbraw/zinc/34/51/50/341345150.db2.gz HQUFALVUJGAGEI-HNNXBMFYSA-N 1 0 322.477 5.010 20 30 DKEDRO CCSc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551556189 341345107 /nfs/dbraw/zinc/34/51/07/341345107.db2.gz HQUFALVUJGAGEI-OAHLLOKOSA-N 1 0 322.477 5.010 20 30 DKEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000551581671 341346322 /nfs/dbraw/zinc/34/63/22/341346322.db2.gz PYIFDCVBESGTBE-UHFFFAOYSA-N 1 0 324.427 5.004 20 30 DKEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000551787866 341351390 /nfs/dbraw/zinc/35/13/90/341351390.db2.gz NQQPLXJRWCZKIS-DLBZAZTESA-N 1 0 322.452 5.149 20 30 DKEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000551787867 341351374 /nfs/dbraw/zinc/35/13/74/341351374.db2.gz NQQPLXJRWCZKIS-IAGOWNOFSA-N 1 0 322.452 5.149 20 30 DKEDRO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000551787868 341351405 /nfs/dbraw/zinc/35/14/05/341351405.db2.gz NQQPLXJRWCZKIS-IRXDYDNUSA-N 1 0 322.452 5.149 20 30 DKEDRO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000551787869 341351505 /nfs/dbraw/zinc/35/15/05/341351505.db2.gz NQQPLXJRWCZKIS-SJORKVTESA-N 1 0 322.452 5.149 20 30 DKEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2ccccc2s1 ZINC000551806504 341352363 /nfs/dbraw/zinc/35/23/63/341352363.db2.gz NOCUIVZKAUFOJU-AWEZNQCLSA-N 1 0 318.445 5.113 20 30 DKEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2ccccc2s1 ZINC000551806505 341352499 /nfs/dbraw/zinc/35/24/99/341352499.db2.gz NOCUIVZKAUFOJU-CQSZACIVSA-N 1 0 318.445 5.113 20 30 DKEDRO CC(C)c1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551810989 341352516 /nfs/dbraw/zinc/35/25/16/341352516.db2.gz AEEWVYFDFPBHMP-INIZCTEOSA-N 1 0 304.437 5.022 20 30 DKEDRO CC(C)c1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551810993 341352612 /nfs/dbraw/zinc/35/26/12/341352612.db2.gz AEEWVYFDFPBHMP-MRXNPFEDSA-N 1 0 304.437 5.022 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1cc2c(s1)CCCC2)c1ccco1 ZINC000552040232 341364010 /nfs/dbraw/zinc/36/40/10/341364010.db2.gz NZSUOAMVJFBIRF-INIZCTEOSA-N 1 0 301.455 5.017 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1cc2c(s1)CCCC2)c1ccco1 ZINC000552040233 341363997 /nfs/dbraw/zinc/36/39/97/341363997.db2.gz NZSUOAMVJFBIRF-MRXNPFEDSA-N 1 0 301.455 5.017 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccc2[nH]c(C)c(C)c2c1)c1ccco1 ZINC000552047547 341364927 /nfs/dbraw/zinc/36/49/27/341364927.db2.gz QFZMPOSDFHRJDZ-IBGZPJMESA-N 1 0 308.425 5.175 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc2[nH]c(C)c(C)c2c1)c1ccco1 ZINC000552047548 341364931 /nfs/dbraw/zinc/36/49/31/341364931.db2.gz QFZMPOSDFHRJDZ-LJQANCHMSA-N 1 0 308.425 5.175 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)c1ccco1 ZINC000552058368 341365823 /nfs/dbraw/zinc/36/58/23/341365823.db2.gz DVQIHXBTXQQTLQ-FQEVSTJZSA-N 1 0 318.420 5.139 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)c1ccco1 ZINC000552058369 341365687 /nfs/dbraw/zinc/36/56/87/341365687.db2.gz DVQIHXBTXQQTLQ-HXUWFJFHSA-N 1 0 318.420 5.139 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1ccco1 ZINC000552065489 341366666 /nfs/dbraw/zinc/36/66/66/341366666.db2.gz BYMIXLRKLUDCPP-FQEVSTJZSA-N 1 0 318.420 5.139 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1ccco1 ZINC000552065490 341366732 /nfs/dbraw/zinc/36/67/32/341366732.db2.gz BYMIXLRKLUDCPP-HXUWFJFHSA-N 1 0 318.420 5.139 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000552083454 341368083 /nfs/dbraw/zinc/36/80/83/341368083.db2.gz GEIMEOWCZMVIGP-JOCHJYFZSA-N 1 0 318.464 5.090 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000552083455 341368230 /nfs/dbraw/zinc/36/82/30/341368230.db2.gz GEIMEOWCZMVIGP-QFIPXVFZSA-N 1 0 318.464 5.090 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1ccco1 ZINC000552285048 341384178 /nfs/dbraw/zinc/38/41/78/341384178.db2.gz AOPQUVGLKXLJFP-IBGZPJMESA-N 1 0 324.468 5.067 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1ccco1 ZINC000552285049 341384130 /nfs/dbraw/zinc/38/41/30/341384130.db2.gz AOPQUVGLKXLJFP-LJQANCHMSA-N 1 0 324.468 5.067 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1cccc2ccccc21)c1ccccc1 ZINC000552313206 341385708 /nfs/dbraw/zinc/38/57/08/341385708.db2.gz UOUDZCAXTANYSC-JOCHJYFZSA-N 1 0 314.432 5.365 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1cccc2ccccc21)c1ccccc1 ZINC000552313207 341385714 /nfs/dbraw/zinc/38/57/14/341385714.db2.gz UOUDZCAXTANYSC-QFIPXVFZSA-N 1 0 314.432 5.365 20 30 DKEDRO CCCc1cccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000552313208 341385689 /nfs/dbraw/zinc/38/56/89/341385689.db2.gz UTJGHWSCSSYERK-NRFANRHFSA-N 1 0 306.453 5.164 20 30 DKEDRO CCCc1cccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000552313209 341385682 /nfs/dbraw/zinc/38/56/82/341385682.db2.gz UTJGHWSCSSYERK-OAQYLSRUSA-N 1 0 306.453 5.164 20 30 DKEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000553513504 341430899 /nfs/dbraw/zinc/43/08/99/341430899.db2.gz WPWRZTDRSZFRQL-UHFFFAOYSA-N 1 0 316.832 5.020 20 30 DKEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000553873776 341437493 /nfs/dbraw/zinc/43/74/93/341437493.db2.gz QLSWXFSVCGIJFP-YADHBBJMSA-N 1 0 316.448 5.067 20 30 DKEDRO CC(C)(CCC#N)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000554072460 341442694 /nfs/dbraw/zinc/44/26/94/341442694.db2.gz GMMKHNCEQWKRKQ-INIZCTEOSA-N 1 0 324.390 5.076 20 30 DKEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000554072466 341442693 /nfs/dbraw/zinc/44/26/93/341442693.db2.gz GMMKHNCEQWKRKQ-MRXNPFEDSA-N 1 0 324.390 5.076 20 30 DKEDRO CC(C)(CCC#N)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000554359738 341451143 /nfs/dbraw/zinc/45/11/43/341451143.db2.gz PPOWIRIRCAATNH-FQEVSTJZSA-N 1 0 324.443 5.029 20 30 DKEDRO CC(C)(CCC#N)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000554359739 341451134 /nfs/dbraw/zinc/45/11/34/341451134.db2.gz PPOWIRIRCAATNH-HXUWFJFHSA-N 1 0 324.443 5.029 20 30 DKEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-c2ccccc2)s1 ZINC000554365988 341451489 /nfs/dbraw/zinc/45/14/89/341451489.db2.gz FCURKLLWHAGIAX-HNNXBMFYSA-N 1 0 312.482 5.396 20 30 DKEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000554367015 341451524 /nfs/dbraw/zinc/45/15/24/341451524.db2.gz QNYPMUSFESVJFR-OAHLLOKOSA-N 1 0 313.272 5.364 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(C2CCC2)cc1)c1ccccc1 ZINC000555586902 341486057 /nfs/dbraw/zinc/48/60/57/341486057.db2.gz KLPBKAIXIBNEAX-JOCHJYFZSA-N 1 0 318.464 5.479 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1ccc(C2CCC2)cc1)c1ccccc1 ZINC000555586903 341485992 /nfs/dbraw/zinc/48/59/92/341485992.db2.gz KLPBKAIXIBNEAX-QFIPXVFZSA-N 1 0 318.464 5.479 20 30 DKEDRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000556197541 341496933 /nfs/dbraw/zinc/49/69/33/341496933.db2.gz JTNUPBABADYTNA-GHTZIAJQSA-N 1 0 306.453 5.389 20 30 DKEDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000556197542 341496945 /nfs/dbraw/zinc/49/69/45/341496945.db2.gz JTNUPBABADYTNA-NQIIRXRSSA-N 1 0 306.453 5.389 20 30 DKEDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000556197544 341496965 /nfs/dbraw/zinc/49/69/65/341496965.db2.gz JTNUPBABADYTNA-WIYYLYMNSA-N 1 0 306.453 5.389 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc2c(s1)CCC2 ZINC000556198227 341496932 /nfs/dbraw/zinc/49/69/32/341496932.db2.gz QVTBIRZTWNDNCJ-MAUKXSAKSA-N 1 0 324.493 5.323 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc2c(s1)CCC2 ZINC000556198228 341496954 /nfs/dbraw/zinc/49/69/54/341496954.db2.gz QVTBIRZTWNDNCJ-QAPCUYQASA-N 1 0 324.493 5.323 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc2c(s1)CCC2 ZINC000556198229 341497038 /nfs/dbraw/zinc/49/70/38/341497038.db2.gz QVTBIRZTWNDNCJ-YJBOKZPZSA-N 1 0 324.493 5.323 20 30 DKEDRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000556202702 341497063 /nfs/dbraw/zinc/49/70/63/341497063.db2.gz RONHNNWEQGWZCW-FXAWDEMLSA-N 1 0 322.452 5.089 20 30 DKEDRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000556202708 341497070 /nfs/dbraw/zinc/49/70/70/341497070.db2.gz RONHNNWEQGWZCW-PXNSSMCTSA-N 1 0 322.452 5.089 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000556203083 341497125 /nfs/dbraw/zinc/49/71/25/341497125.db2.gz ZXTNXIKXPFZMTI-PMACEKPBSA-N 1 0 324.855 5.352 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000556203086 341497122 /nfs/dbraw/zinc/49/71/22/341497122.db2.gz ZXTNXIKXPFZMTI-UXHICEINSA-N 1 0 324.855 5.352 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000556203099 341497107 /nfs/dbraw/zinc/49/71/07/341497107.db2.gz ZXTNXIKXPFZMTI-VQTJNVASSA-N 1 0 324.855 5.352 20 30 DKEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000556203101 341497058 /nfs/dbraw/zinc/49/70/58/341497058.db2.gz ZXTNXIKXPFZMTI-WOJBJXKFSA-N 1 0 324.855 5.352 20 30 DKEDRO CC[C@H]([NH2+]Cc1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000556218658 341497782 /nfs/dbraw/zinc/49/77/82/341497782.db2.gz YFSZKFMRDRGQQV-SFHVURJKSA-N 1 0 306.434 5.014 20 30 DKEDRO CCSc1ccccc1[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556600710 331719281 /nfs/dbraw/zinc/71/92/81/331719281.db2.gz ISKCBGAZHOQPPG-HNNXBMFYSA-N 1 0 322.477 5.010 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccccc1 ZINC000556908490 331751664 /nfs/dbraw/zinc/75/16/64/331751664.db2.gz RPGJWLONWPLWCG-JOCHJYFZSA-N 1 0 314.432 5.365 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1ccc2ccccc2c1)c1ccccc1 ZINC000556908491 331751683 /nfs/dbraw/zinc/75/16/83/331751683.db2.gz RPGJWLONWPLWCG-QFIPXVFZSA-N 1 0 314.432 5.365 20 30 DKEDRO CC(C)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000556908806 331751950 /nfs/dbraw/zinc/75/19/50/331751950.db2.gz WDLZUWKEZAFZTD-NRFANRHFSA-N 1 0 306.453 5.335 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000557273500 331779929 /nfs/dbraw/zinc/77/99/29/331779929.db2.gz LLGGZMGNUFBHIT-JTSKRJEESA-N 1 0 318.464 5.261 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000557273501 331779910 /nfs/dbraw/zinc/77/99/10/331779910.db2.gz LLGGZMGNUFBHIT-VGOFRKELSA-N 1 0 318.464 5.261 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000557273502 331780000 /nfs/dbraw/zinc/78/00/00/331780000.db2.gz LLGGZMGNUFBHIT-VGSWGCGISA-N 1 0 318.464 5.261 20 30 DKEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-c2ccccc2)cc1 ZINC000557665591 331807187 /nfs/dbraw/zinc/80/71/87/331807187.db2.gz WGJVNDDVXVCINZ-HNNXBMFYSA-N 1 0 318.445 5.138 20 30 DKEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-c2ccccc2)cc1 ZINC000557665593 331807018 /nfs/dbraw/zinc/80/70/18/331807018.db2.gz WGJVNDDVXVCINZ-OAHLLOKOSA-N 1 0 318.445 5.138 20 30 DKEDRO CCC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000558158302 331880601 /nfs/dbraw/zinc/88/06/01/331880601.db2.gz UQHOJLIXZJMVID-LJQANCHMSA-N 1 0 312.844 5.037 20 30 DKEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-c2cccs2)cc1 ZINC000558236768 331886105 /nfs/dbraw/zinc/88/61/05/331886105.db2.gz ZPPYQZLVZOPQCS-HNNXBMFYSA-N 1 0 312.482 5.396 20 30 DKEDRO COc1ccc([C@@H](CCC(C)C)[NH2+]CC(C)(C)CCC#N)cc1 ZINC000558238727 331886158 /nfs/dbraw/zinc/88/61/58/331886158.db2.gz JCVQXOVXJVHADL-LJQANCHMSA-N 1 0 316.489 5.092 20 30 DKEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000558239738 331886384 /nfs/dbraw/zinc/88/63/84/331886384.db2.gz YOSKNKMATQWAQL-MRXNPFEDSA-N 1 0 312.482 5.198 20 30 DKEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(F)c(Cl)cc1Cl ZINC000558243964 331887160 /nfs/dbraw/zinc/88/71/60/331887160.db2.gz NAAKSICQOKINNN-SNVBAGLBSA-N 1 0 317.235 5.113 20 30 DKEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc2cc(Cl)ccc2o1 ZINC000558409134 331903620 /nfs/dbraw/zinc/90/36/20/331903620.db2.gz OTTAADPVCBNCJT-ZDUSSCGKSA-N 1 0 324.811 5.003 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(C)C)nc1C)c1ccccc1 ZINC000559147610 331982398 /nfs/dbraw/zinc/98/23/98/331982398.db2.gz AMWQVVUFFAPCHE-OAQYLSRUSA-N 1 0 308.469 5.311 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000559859765 332286290 /nfs/dbraw/zinc/28/62/90/332286290.db2.gz OHMVVBXKDGXXSH-BEFAXECRSA-N 1 0 312.844 5.426 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000559859770 332286229 /nfs/dbraw/zinc/28/62/29/332286229.db2.gz OHMVVBXKDGXXSH-DNVCBOLYSA-N 1 0 312.844 5.426 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000559859772 332286316 /nfs/dbraw/zinc/28/63/16/332286316.db2.gz OHMVVBXKDGXXSH-HNAYVOBHSA-N 1 0 312.844 5.426 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000559859774 332286350 /nfs/dbraw/zinc/28/63/50/332286350.db2.gz OHMVVBXKDGXXSH-KXBFYZLASA-N 1 0 312.844 5.426 20 30 DKEDRO Cc1cccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1C ZINC000559860428 332286364 /nfs/dbraw/zinc/28/63/64/332286364.db2.gz ULQGMWMWYLLRMD-GHTZIAJQSA-N 1 0 306.453 5.389 20 30 DKEDRO Cc1cccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1C ZINC000559860429 332286298 /nfs/dbraw/zinc/28/62/98/332286298.db2.gz ULQGMWMWYLLRMD-NQIIRXRSSA-N 1 0 306.453 5.389 20 30 DKEDRO Cc1cccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1C ZINC000559860430 332286222 /nfs/dbraw/zinc/28/62/22/332286222.db2.gz ULQGMWMWYLLRMD-RXVVDRJESA-N 1 0 306.453 5.389 20 30 DKEDRO Cc1cccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1C ZINC000559860431 332286301 /nfs/dbraw/zinc/28/63/01/332286301.db2.gz ULQGMWMWYLLRMD-WIYYLYMNSA-N 1 0 306.453 5.389 20 30 DKEDRO C[C@@H]1[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559861671 332286519 /nfs/dbraw/zinc/28/65/19/332286519.db2.gz CEAFVAWGUBJPGE-AGOPTVSRSA-N 1 0 318.464 5.203 20 30 DKEDRO C[C@@H]1[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559861676 332286536 /nfs/dbraw/zinc/28/65/36/332286536.db2.gz CEAFVAWGUBJPGE-GUGJDKNPSA-N 1 0 318.464 5.203 20 30 DKEDRO C[C@@H]1[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559861677 332286631 /nfs/dbraw/zinc/28/66/31/332286631.db2.gz CEAFVAWGUBJPGE-KVJIRVJXSA-N 1 0 318.464 5.203 20 30 DKEDRO C[C@@H]1[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559861679 332286515 /nfs/dbraw/zinc/28/65/15/332286515.db2.gz CEAFVAWGUBJPGE-ZHNGQKSSSA-N 1 0 318.464 5.203 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000559861904 332286569 /nfs/dbraw/zinc/28/65/69/332286569.db2.gz DLTUDCRLALAWPB-BDTNDASRSA-N 1 0 318.464 5.347 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000559861905 332286563 /nfs/dbraw/zinc/28/65/63/332286563.db2.gz DLTUDCRLALAWPB-FKBYEOEOSA-N 1 0 318.464 5.347 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000559861906 332286582 /nfs/dbraw/zinc/28/65/82/332286582.db2.gz DLTUDCRLALAWPB-FSSWDIPSSA-N 1 0 318.464 5.347 20 30 DKEDRO N#CCCC[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000559861907 332286688 /nfs/dbraw/zinc/28/66/88/332286688.db2.gz DLTUDCRLALAWPB-VSKRKVRLSA-N 1 0 318.464 5.347 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000559863023 332286554 /nfs/dbraw/zinc/28/65/54/332286554.db2.gz NCWXECGQORJKSF-AGOPTVSRSA-N 1 0 318.464 5.203 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000559863024 332286560 /nfs/dbraw/zinc/28/65/60/332286560.db2.gz NCWXECGQORJKSF-KDXIVRHGSA-N 1 0 318.464 5.203 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000559863025 332286691 /nfs/dbraw/zinc/28/66/91/332286691.db2.gz NCWXECGQORJKSF-MNAPGUCWSA-N 1 0 318.464 5.203 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000559863026 332286629 /nfs/dbraw/zinc/28/66/29/332286629.db2.gz NCWXECGQORJKSF-MQGJPIDWSA-N 1 0 318.464 5.203 20 30 DKEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000559863339 332286868 /nfs/dbraw/zinc/28/68/68/332286868.db2.gz RTUVWVCIGCSIOO-BBTUJRGHSA-N 1 0 306.453 5.203 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000559863340 332287010 /nfs/dbraw/zinc/28/70/10/332287010.db2.gz RTUVWVCIGCSIOO-LQWHRVPQSA-N 1 0 306.453 5.203 20 30 DKEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000559863341 332286925 /nfs/dbraw/zinc/28/69/25/332286925.db2.gz RTUVWVCIGCSIOO-LVCYWYKZSA-N 1 0 306.453 5.203 20 30 DKEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000559863342 332286848 /nfs/dbraw/zinc/28/68/48/332286848.db2.gz RTUVWVCIGCSIOO-WFXMLNOXSA-N 1 0 306.453 5.203 20 30 DKEDRO N#CCCC[C@@H]([NH2+]C1CC(c2cccc(F)c2)C1)c1ccccc1 ZINC000559864147 332285750 /nfs/dbraw/zinc/28/57/50/332285750.db2.gz SDVGHVNCCQYZRH-DQVLVPHSSA-N 1 0 322.427 5.096 20 30 DKEDRO N#CCCC[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)c1ccccc1 ZINC000559864155 332285692 /nfs/dbraw/zinc/28/56/92/332285692.db2.gz SDVGHVNCCQYZRH-MNLRITNHSA-N 1 0 322.427 5.096 20 30 DKEDRO N#CCCC[C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)c1ccccc1 ZINC000559864623 332285774 /nfs/dbraw/zinc/28/57/74/332285774.db2.gz OZOUCLFABNVPPQ-DQVLVPHSSA-N 1 0 322.427 5.096 20 30 DKEDRO N#CCCC[C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)c1ccccc1 ZINC000559864624 332285725 /nfs/dbraw/zinc/28/57/25/332285725.db2.gz OZOUCLFABNVPPQ-MNLRITNHSA-N 1 0 322.427 5.096 20 30 DKEDRO C[C@@H](CCc1ccccc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000559866091 332286396 /nfs/dbraw/zinc/28/63/96/332286396.db2.gz UNDFQTWDWAXFMI-GHTZIAJQSA-N 1 0 306.453 5.032 20 30 DKEDRO C[C@H](CCc1ccccc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000559866093 332286276 /nfs/dbraw/zinc/28/62/76/332286276.db2.gz UNDFQTWDWAXFMI-NQIIRXRSSA-N 1 0 306.453 5.032 20 30 DKEDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000559866094 332286305 /nfs/dbraw/zinc/28/63/05/332286305.db2.gz UNDFQTWDWAXFMI-RXVVDRJESA-N 1 0 306.453 5.032 20 30 DKEDRO C[C@H](CCc1ccccc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000559866096 332286346 /nfs/dbraw/zinc/28/63/46/332286346.db2.gz UNDFQTWDWAXFMI-WIYYLYMNSA-N 1 0 306.453 5.032 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1ccco1 ZINC000559875988 332288237 /nfs/dbraw/zinc/28/82/37/332288237.db2.gz CZMVZKUUVJVSDG-INIZCTEOSA-N 1 0 305.368 5.188 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1ccco1 ZINC000559876002 332288213 /nfs/dbraw/zinc/28/82/13/332288213.db2.gz CZMVZKUUVJVSDG-MRXNPFEDSA-N 1 0 305.368 5.188 20 30 DKEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(-c2cccs2)cc1 ZINC000559888990 332289349 /nfs/dbraw/zinc/28/93/49/332289349.db2.gz XOEJPJINSXBYPL-HNNXBMFYSA-N 1 0 318.445 5.138 20 30 DKEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(-c2cccs2)cc1 ZINC000559888992 332289280 /nfs/dbraw/zinc/28/92/80/332289280.db2.gz XOEJPJINSXBYPL-OAHLLOKOSA-N 1 0 318.445 5.138 20 30 DKEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc2ccccc21 ZINC000560260931 332324866 /nfs/dbraw/zinc/32/48/66/332324866.db2.gz FBFQHVZNFFTVDK-INIZCTEOSA-N 1 0 312.416 5.051 20 30 DKEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc2ccccc21 ZINC000560260932 332325174 /nfs/dbraw/zinc/32/51/74/332325174.db2.gz FBFQHVZNFFTVDK-MRXNPFEDSA-N 1 0 312.416 5.051 20 30 DKEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC000560269168 332325711 /nfs/dbraw/zinc/32/57/11/332325711.db2.gz PKEAFERLCKJVJE-INIZCTEOSA-N 1 0 312.416 5.051 20 30 DKEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC000560269395 332325731 /nfs/dbraw/zinc/32/57/31/332325731.db2.gz PKEAFERLCKJVJE-MRXNPFEDSA-N 1 0 312.416 5.051 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccco1 ZINC000560528764 332351857 /nfs/dbraw/zinc/35/18/57/332351857.db2.gz QXOYYKYPZCFCQR-FQEVSTJZSA-N 1 0 318.420 5.139 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccco1 ZINC000560528769 332351981 /nfs/dbraw/zinc/35/19/81/332351981.db2.gz QXOYYKYPZCFCQR-HXUWFJFHSA-N 1 0 318.420 5.139 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1oc2ccc(F)cc2c1C)c1ccco1 ZINC000560530678 332352991 /nfs/dbraw/zinc/35/29/91/332352991.db2.gz REYSKTZJEBBEMD-INIZCTEOSA-N 1 0 313.372 5.270 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1oc2ccc(F)cc2c1C)c1ccco1 ZINC000560530679 332352713 /nfs/dbraw/zinc/35/27/13/332352713.db2.gz REYSKTZJEBBEMD-MRXNPFEDSA-N 1 0 313.372 5.270 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccc(OCC)c(Cl)c1)c1ccco1 ZINC000560538493 332354975 /nfs/dbraw/zinc/35/49/75/332354975.db2.gz SEROYKDWGRHVCV-INIZCTEOSA-N 1 0 319.832 5.129 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OCC)c(Cl)c1)c1ccco1 ZINC000560538495 332355007 /nfs/dbraw/zinc/35/50/07/332355007.db2.gz SEROYKDWGRHVCV-MRXNPFEDSA-N 1 0 319.832 5.129 20 30 DKEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccco1 ZINC000560546893 332357313 /nfs/dbraw/zinc/35/73/13/332357313.db2.gz XTDJVNQIHXAOKJ-GOSISDBHSA-N 1 0 311.425 5.008 20 30 DKEDRO C=CCC[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccco1 ZINC000560546894 332357127 /nfs/dbraw/zinc/35/71/27/332357127.db2.gz XTDJVNQIHXAOKJ-SFHVURJKSA-N 1 0 311.425 5.008 20 30 DKEDRO CCCOc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000560561086 332358670 /nfs/dbraw/zinc/35/86/70/332358670.db2.gz DAOCDXPDSIKTNW-NRFANRHFSA-N 1 0 322.452 5.000 20 30 DKEDRO CCCOc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000560561087 332358557 /nfs/dbraw/zinc/35/85/57/332358557.db2.gz DAOCDXPDSIKTNW-OAQYLSRUSA-N 1 0 322.452 5.000 20 30 DKEDRO CC[C@@H](C[NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000560563611 332361591 /nfs/dbraw/zinc/36/15/91/332361591.db2.gz BJWRWYYRKWIYPJ-GHTZIAJQSA-N 1 0 306.453 5.205 20 30 DKEDRO CC[C@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000560563616 332361573 /nfs/dbraw/zinc/36/15/73/332361573.db2.gz BJWRWYYRKWIYPJ-NQIIRXRSSA-N 1 0 306.453 5.205 20 30 DKEDRO CC[C@@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000560563617 332361524 /nfs/dbraw/zinc/36/15/24/332361524.db2.gz BJWRWYYRKWIYPJ-RXVVDRJESA-N 1 0 306.453 5.205 20 30 DKEDRO CC[C@H](C[NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000560563618 332361550 /nfs/dbraw/zinc/36/15/50/332361550.db2.gz BJWRWYYRKWIYPJ-WIYYLYMNSA-N 1 0 306.453 5.205 20 30 DKEDRO CC(C)Cc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000560565683 332360258 /nfs/dbraw/zinc/36/02/58/332360258.db2.gz ZBVVKHAWUDAIMD-JOCHJYFZSA-N 1 0 320.480 5.410 20 30 DKEDRO CC(C)Cc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000560565690 332360255 /nfs/dbraw/zinc/36/02/55/332360255.db2.gz ZBVVKHAWUDAIMD-QFIPXVFZSA-N 1 0 320.480 5.410 20 30 DKEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000560907962 332393288 /nfs/dbraw/zinc/39/32/88/332393288.db2.gz DCKAVGMAQGIMPW-ACJLOTCBSA-N 1 0 316.807 5.175 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000560907966 332393240 /nfs/dbraw/zinc/39/32/40/332393240.db2.gz DCKAVGMAQGIMPW-FZKQIMNGSA-N 1 0 316.807 5.175 20 30 DKEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000560907967 332393293 /nfs/dbraw/zinc/39/32/93/332393293.db2.gz DCKAVGMAQGIMPW-SCLBCKFNSA-N 1 0 316.807 5.175 20 30 DKEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000560907968 332393203 /nfs/dbraw/zinc/39/32/03/332393203.db2.gz DCKAVGMAQGIMPW-UGSOOPFHSA-N 1 0 316.807 5.175 20 30 DKEDRO CC(C)C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccs1 ZINC000561139587 332416306 /nfs/dbraw/zinc/41/63/06/332416306.db2.gz DXFPTKPCURMCDJ-RBUKOAKNSA-N 1 0 324.493 5.374 20 30 DKEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)s1 ZINC000561355799 332441188 /nfs/dbraw/zinc/44/11/88/332441188.db2.gz MCUSTUBSRWTPSG-IBGZPJMESA-N 1 0 310.466 5.031 20 30 DKEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(Cl)sc1Cl ZINC000562039988 332535639 /nfs/dbraw/zinc/53/56/39/332535639.db2.gz UPSFPIVFQWIZQY-VIFPVBQESA-N 1 0 305.274 5.035 20 30 DKEDRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC(C)(C)CCC#N ZINC000562894685 332637646 /nfs/dbraw/zinc/63/76/46/332637646.db2.gz RNHPYUPGZAFEPE-KAMYIIQDSA-N 1 0 324.390 5.028 20 30 DKEDRO CC(C)(C)[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000563330072 333592321 /nfs/dbraw/zinc/59/23/21/333592321.db2.gz JQACLYQMAXVVNU-PMACEKPBSA-N 1 0 322.427 5.062 20 30 DKEDRO CC(C)(C)[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000563330080 333592306 /nfs/dbraw/zinc/59/23/06/333592306.db2.gz JQACLYQMAXVVNU-VQTJNVASSA-N 1 0 322.427 5.062 20 30 DKEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-c2ccccc2)cc1 ZINC000563741411 334981002 /nfs/dbraw/zinc/98/10/02/334981002.db2.gz WVSCNLANWXYFIJ-QGZVFWFLSA-N 1 0 306.453 5.334 20 30 DKEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](CC1CCC1)c1ccccc1)CC2 ZINC000564433754 331783927 /nfs/dbraw/zinc/78/39/27/331783927.db2.gz VYGYIXOAIDJVMT-FCHUYYIVSA-N 1 0 316.448 5.067 20 30 DKEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](CC1CCC1)c1ccccc1)CC2 ZINC000564433755 331783919 /nfs/dbraw/zinc/78/39/19/331783919.db2.gz VYGYIXOAIDJVMT-FGZHOGPDSA-N 1 0 316.448 5.067 20 30 DKEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CC1CCC1)c1ccccc1)CC2 ZINC000564433759 331783788 /nfs/dbraw/zinc/78/37/88/331783788.db2.gz VYGYIXOAIDJVMT-YADHBBJMSA-N 1 0 316.448 5.067 20 30 DKEDRO C=CCC[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000565109638 341517479 /nfs/dbraw/zinc/51/74/79/341517479.db2.gz HTELNAUDAYRVGU-PMACEKPBSA-N 1 0 307.437 5.067 20 30 DKEDRO CC(C)(C)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000565437486 341527377 /nfs/dbraw/zinc/52/73/77/341527377.db2.gz IEHZIZNPMNXDAH-NRFANRHFSA-N 1 0 320.480 5.509 20 30 DKEDRO CC(C)(C)c1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000565437495 341527366 /nfs/dbraw/zinc/52/73/66/341527366.db2.gz IEHZIZNPMNXDAH-OAQYLSRUSA-N 1 0 320.480 5.509 20 30 DKEDRO CC(C)[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000565568332 341531334 /nfs/dbraw/zinc/53/13/34/341531334.db2.gz BOBHVZBITFNWSL-PMACEKPBSA-N 1 0 324.855 5.186 20 30 DKEDRO CC(C)[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000565568335 341531322 /nfs/dbraw/zinc/53/13/22/341531322.db2.gz BOBHVZBITFNWSL-UXHICEINSA-N 1 0 324.855 5.186 20 30 DKEDRO CC(C)[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000565568337 341531372 /nfs/dbraw/zinc/53/13/72/341531372.db2.gz BOBHVZBITFNWSL-VQTJNVASSA-N 1 0 324.855 5.186 20 30 DKEDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000565568338 341531306 /nfs/dbraw/zinc/53/13/06/341531306.db2.gz BOBHVZBITFNWSL-WOJBJXKFSA-N 1 0 324.855 5.186 20 30 DKEDRO CC(C)(C)[C@H]([NH2+]CC(C)(C)CCC#N)c1cc2ccccc2o1 ZINC000566756205 341567297 /nfs/dbraw/zinc/56/72/97/341567297.db2.gz ZNWPYIWTXLHLFK-GOSISDBHSA-N 1 0 312.457 5.440 20 30 DKEDRO CC(C)(C)[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc2ccccc2o1 ZINC000566756206 341567238 /nfs/dbraw/zinc/56/72/38/341567238.db2.gz ZNWPYIWTXLHLFK-SFHVURJKSA-N 1 0 312.457 5.440 20 30 DKEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(F)c3ccccc32)ccc1C#N ZINC000567306779 341594417 /nfs/dbraw/zinc/59/44/17/341594417.db2.gz JYLHRYDGZUGBHW-OAHLLOKOSA-N 1 0 318.395 5.010 20 30 DKEDRO C[C@@H](CCc1ccccc1F)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000568116559 341652350 /nfs/dbraw/zinc/65/23/50/341652350.db2.gz FWXCFEUHKAJVSP-LAUBAEHRSA-N 1 0 324.443 5.172 20 30 DKEDRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000568116561 341652341 /nfs/dbraw/zinc/65/23/41/341652341.db2.gz FWXCFEUHKAJVSP-UWJYYQICSA-N 1 0 324.443 5.172 20 30 DKEDRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000568656716 341677843 /nfs/dbraw/zinc/67/78/43/341677843.db2.gz LJZOMLGKWFVVBX-UTKZUKDTSA-N 1 0 324.443 5.172 20 30 DKEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2s1 ZINC000568936761 341685956 /nfs/dbraw/zinc/68/59/56/341685956.db2.gz WRJYOHZFYRHISA-FZKQIMNGSA-N 1 0 318.445 5.111 20 30 DKEDRO CCSc1ccc([C@@H](C)[NH2+][C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000569432989 332082432 /nfs/dbraw/zinc/08/24/32/332082432.db2.gz ZLIYYZKYDKRNCR-FOIQADDNSA-N 1 0 324.493 5.472 20 30 DKEDRO CCSc1ccc([C@H](C)[NH2+][C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000569432996 332082401 /nfs/dbraw/zinc/08/24/01/332082401.db2.gz ZLIYYZKYDKRNCR-MGPUTAFESA-N 1 0 324.493 5.472 20 30 DKEDRO CCSc1ccc([C@@H](C)[NH2+][C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000569432998 332082333 /nfs/dbraw/zinc/08/23/33/332082333.db2.gz ZLIYYZKYDKRNCR-QRWLVFNGSA-N 1 0 324.493 5.472 20 30 DKEDRO CCSc1ccc([C@H](C)[NH2+][C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000569432999 332082405 /nfs/dbraw/zinc/08/24/05/332082405.db2.gz ZLIYYZKYDKRNCR-YWZLYKJASA-N 1 0 324.493 5.472 20 30 DKEDRO CCCc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000570521641 332767144 /nfs/dbraw/zinc/76/71/44/332767144.db2.gz YAHFJRQMZJTQPO-NRFANRHFSA-N 1 0 306.453 5.164 20 30 DKEDRO CCCc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000570521642 332767186 /nfs/dbraw/zinc/76/71/86/332767186.db2.gz YAHFJRQMZJTQPO-OAQYLSRUSA-N 1 0 306.453 5.164 20 30 DKEDRO Cc1cc(C)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1C ZINC000570620407 332783118 /nfs/dbraw/zinc/78/31/18/332783118.db2.gz RKPAIKFDPDDVMT-NRFANRHFSA-N 1 0 306.453 5.137 20 30 DKEDRO Cc1cc(C)c(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1C ZINC000570620408 332783016 /nfs/dbraw/zinc/78/30/16/332783016.db2.gz RKPAIKFDPDDVMT-OAQYLSRUSA-N 1 0 306.453 5.137 20 30 DKEDRO Cc1cc([C@@H]([NH2+]CCCC#N)c2cccc(Cl)c2)c(C)s1 ZINC000571010339 333478798 /nfs/dbraw/zinc/47/87/98/333478798.db2.gz YNNNOXINVYTWOR-KRWDZBQOSA-N 1 0 318.873 5.001 20 30 DKEDRO C=CCC[C@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)c1ccco1 ZINC000573143532 341718599 /nfs/dbraw/zinc/71/85/99/341718599.db2.gz PASCDVQSNJPNEG-OLZOCXBDSA-N 1 0 307.846 5.279 20 30 DKEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1Cl ZINC000573858322 341741481 /nfs/dbraw/zinc/74/14/81/341741481.db2.gz FTFZFPQPRCTOEM-DNVCBOLYSA-N 1 0 312.844 5.426 20 30 DKEDRO CC[C@@H](Cc1ccccc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000574059311 341747376 /nfs/dbraw/zinc/74/73/76/341747376.db2.gz LCPSEMDOGWJTAG-LEWJYISDSA-N 1 0 306.453 5.032 20 30 DKEDRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000574059313 341747353 /nfs/dbraw/zinc/74/73/53/341747353.db2.gz LCPSEMDOGWJTAG-RTWAWAEBSA-N 1 0 306.453 5.032 20 30 DKEDRO CC(C)(CCC#N)C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000574185273 341751283 /nfs/dbraw/zinc/75/12/83/341751283.db2.gz RTQFXLBPPSCAFW-FQEVSTJZSA-N 1 0 324.443 5.029 20 30 DKEDRO CC(C)[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000574611234 341763798 /nfs/dbraw/zinc/76/37/98/341763798.db2.gz HGMWFEHPFHQUCA-PMACEKPBSA-N 1 0 324.855 5.186 20 30 DKEDRO C[C@@H](CC[NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000574791032 341768870 /nfs/dbraw/zinc/76/88/70/341768870.db2.gz HXRYSFKADPOHCT-GHTZIAJQSA-N 1 0 306.453 5.205 20 30 DKEDRO C[C@H](CC[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000574791037 341768926 /nfs/dbraw/zinc/76/89/26/341768926.db2.gz HXRYSFKADPOHCT-NQIIRXRSSA-N 1 0 306.453 5.205 20 30 DKEDRO CCC(CC)[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cccs1 ZINC000574946074 332858176 /nfs/dbraw/zinc/85/81/76/332858176.db2.gz OKRQOBKPQYWBSP-AZUAARDMSA-N 1 0 324.493 5.374 20 30 DKEDRO C[C@H]([NH2+]Cc1ccc(C2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000576069597 341824193 /nfs/dbraw/zinc/82/41/93/341824193.db2.gz UANZVMZYLSRFSA-INIZCTEOSA-N 1 0 304.437 5.067 20 30 DKEDRO CC(C)[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000576486429 341848866 /nfs/dbraw/zinc/84/88/66/341848866.db2.gz NVCCATHOAFVHEY-LEWJYISDSA-N 1 0 316.448 5.022 20 30 DKEDRO CC(C)[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000576486430 341848846 /nfs/dbraw/zinc/84/88/46/341848846.db2.gz NVCCATHOAFVHEY-NHCUHLMSSA-N 1 0 316.448 5.022 20 30 DKEDRO CC(C)CCOc1ccc([C@H](C)[NH2+]CC(C)(C)CCC#N)cc1 ZINC000576852007 341866410 /nfs/dbraw/zinc/86/64/10/341866410.db2.gz ROKVRTJTGDIVRR-KRWDZBQOSA-N 1 0 316.489 5.092 20 30 DKEDRO C/C(=C\c1ccccc1)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000577166464 341892870 /nfs/dbraw/zinc/89/28/70/341892870.db2.gz DFQDYQNKLNOFHQ-LAYTVVDLSA-N 1 0 304.437 5.115 20 30 DKEDRO C/C(=C/c1ccccc1)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000577166470 341892868 /nfs/dbraw/zinc/89/28/68/341892868.db2.gz DFQDYQNKLNOFHQ-VUANCPLDSA-N 1 0 304.437 5.115 20 30 DKEDRO C/C(=C\c1ccccc1)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000577166471 341892983 /nfs/dbraw/zinc/89/29/83/341892983.db2.gz DFQDYQNKLNOFHQ-XXJLXKPQSA-N 1 0 304.437 5.115 20 30 DKEDRO N#CCCC[C@H]([NH2+]Cc1cc2ccccc2s1)c1ccccc1 ZINC000577236864 341899569 /nfs/dbraw/zinc/89/95/69/341899569.db2.gz WBJZKFAMAOFGRH-IBGZPJMESA-N 1 0 320.461 5.426 20 30 DKEDRO N#CCCC[C@@H]([NH2+]Cc1cc2ccccc2s1)c1ccccc1 ZINC000577236865 341899594 /nfs/dbraw/zinc/89/95/94/341899594.db2.gz WBJZKFAMAOFGRH-LJQANCHMSA-N 1 0 320.461 5.426 20 30 DKEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000577271093 341901496 /nfs/dbraw/zinc/90/14/96/341901496.db2.gz UYYBSGOVDNEYLC-LAUBAEHRSA-N 1 0 324.443 5.172 20 30 DKEDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000577271095 341901511 /nfs/dbraw/zinc/90/15/11/341901511.db2.gz UYYBSGOVDNEYLC-UTKZUKDTSA-N 1 0 324.443 5.172 20 30 DKEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000577271097 341901507 /nfs/dbraw/zinc/90/15/07/341901507.db2.gz UYYBSGOVDNEYLC-UWJYYQICSA-N 1 0 324.443 5.172 20 30 DKEDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1C ZINC000577634383 341926034 /nfs/dbraw/zinc/92/60/34/341926034.db2.gz PONOLNLNSWRPIQ-DENIHFKCSA-N 1 0 320.480 5.698 20 30 DKEDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1C ZINC000577634386 341925958 /nfs/dbraw/zinc/92/59/58/341925958.db2.gz PONOLNLNSWRPIQ-KNQAVFIVSA-N 1 0 320.480 5.698 20 30 DKEDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1C ZINC000577634390 341925923 /nfs/dbraw/zinc/92/59/23/341925923.db2.gz PONOLNLNSWRPIQ-UGKGYDQZSA-N 1 0 320.480 5.698 20 30 DKEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(C)(C)CCC#N)cc1Cl ZINC000577667385 341928202 /nfs/dbraw/zinc/92/82/02/341928202.db2.gz NIMLIDLZGXFERM-AWEZNQCLSA-N 1 0 322.880 5.108 20 30 DKEDRO CC[C@@H]([NH2+]Cc1ccc2sccc2c1)c1ccc(C#N)cc1 ZINC000580249295 333040764 /nfs/dbraw/zinc/04/07/64/333040764.db2.gz BJNXEGDAXKBPTD-GOSISDBHSA-N 1 0 306.434 5.014 20 30 DKEDRO CC[C@H]([NH2+]Cc1ccc2sccc2c1)c1ccc(C#N)cc1 ZINC000580249296 333040875 /nfs/dbraw/zinc/04/08/75/333040875.db2.gz BJNXEGDAXKBPTD-SFHVURJKSA-N 1 0 306.434 5.014 20 30 DKEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc2cc(OC)ccc2c1 ZINC000580360959 336259741 /nfs/dbraw/zinc/25/97/41/336259741.db2.gz GZWMLWFYAHIQTI-FQEVSTJZSA-N 1 0 324.468 5.219 20 30 DKEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc2cc(OC)ccc2c1 ZINC000580360960 336259666 /nfs/dbraw/zinc/25/96/66/336259666.db2.gz GZWMLWFYAHIQTI-HXUWFJFHSA-N 1 0 324.468 5.219 20 30 DKEDRO CC[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000580399925 337395577 /nfs/dbraw/zinc/39/55/77/337395577.db2.gz ONNARIWIHSXGDB-INIZCTEOSA-N 1 0 319.235 5.106 20 30 DKEDRO CC[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000580399926 337395589 /nfs/dbraw/zinc/39/55/89/337395589.db2.gz ONNARIWIHSXGDB-MRXNPFEDSA-N 1 0 319.235 5.106 20 30 DKEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc2cc(Cl)ccc2o1 ZINC000580591282 341882976 /nfs/dbraw/zinc/88/29/76/341882976.db2.gz AZXXDJZBEFCFOH-LBPRGKRZSA-N 1 0 304.821 5.067 20 30 DKEDRO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000582645794 337120117 /nfs/dbraw/zinc/12/01/17/337120117.db2.gz WRKKZRLZEBYXRE-PMACEKPBSA-N 1 0 304.437 5.022 20 30 DKEDRO CC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000582645795 337120148 /nfs/dbraw/zinc/12/01/48/337120148.db2.gz WRKKZRLZEBYXRE-UXHICEINSA-N 1 0 304.437 5.022 20 30 DKEDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000582645796 337120033 /nfs/dbraw/zinc/12/00/33/337120033.db2.gz WRKKZRLZEBYXRE-VQTJNVASSA-N 1 0 304.437 5.022 20 30 DKEDRO CC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000582645797 337120119 /nfs/dbraw/zinc/12/01/19/337120119.db2.gz WRKKZRLZEBYXRE-WOJBJXKFSA-N 1 0 304.437 5.022 20 30 DKEDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1OC(C)C)c1ccc(C#N)cc1 ZINC000583544867 335708490 /nfs/dbraw/zinc/70/84/90/335708490.db2.gz IVSSQWAUYCLOHS-JXFKEZNVSA-N 1 0 322.452 5.147 20 30 DKEDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1OC(C)C)c1ccc(C#N)cc1 ZINC000583544869 335708395 /nfs/dbraw/zinc/70/83/95/335708395.db2.gz IVSSQWAUYCLOHS-OXQOHEQNSA-N 1 0 322.452 5.147 20 30 DKEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000584194921 331862460 /nfs/dbraw/zinc/86/24/60/331862460.db2.gz FCNXOLJSQBPBHI-UHFFFAOYSA-N 1 0 316.832 5.020 20 30 DKEDRO