smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccsc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000548993235 567960357 /nfs/dbraw/zinc/96/03/57/567960357.db2.gz HMJKQWFRNSZIDZ-VZKPYBMVSA-N 2 0 374.981 5.414 20 0 FKADRP Cc1ccsc1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000548993236 567960364 /nfs/dbraw/zinc/96/03/64/567960364.db2.gz HMJKQWFRNSZIDZ-ZJVRTDGDSA-N 2 0 374.981 5.414 20 0 FKADRP FC(F)(F)c1cccc([C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C2CC2)c1 ZINC000549237775 567999067 /nfs/dbraw/zinc/99/90/67/567999067.db2.gz ZQPCVCHVZFXVGA-HXUWFJFHSA-N 2 0 366.471 5.153 20 0 FKADRP CCc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000549261931 567998435 /nfs/dbraw/zinc/99/84/35/567998435.db2.gz QNEPUSNVRHLSDU-DTFZGZDNSA-N 2 0 372.940 5.199 20 0 FKADRP CCc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000549261939 567998396 /nfs/dbraw/zinc/99/83/96/567998396.db2.gz QNEPUSNVRHLSDU-SQWHNCPASA-N 2 0 372.940 5.199 20 0 FKADRP CCc1nc2cc(C[NH2+][C@@H](c3ccc(C)o3)C3CCC3)ccc2n1C1CC1 ZINC000549626345 568034767 /nfs/dbraw/zinc/03/47/67/568034767.db2.gz LIFWYUALCIBXFG-HSZRJFAPSA-N 2 0 363.505 5.466 20 0 FKADRP CCc1nc2cc(C[NH2+][C@H](c3ccc(C)o3)C3CCC3)ccc2n1C1CC1 ZINC000549626346 568034835 /nfs/dbraw/zinc/03/48/35/568034835.db2.gz LIFWYUALCIBXFG-QHCPKHFHSA-N 2 0 363.505 5.466 20 0 FKADRP CCc1nc2cc(C[NH2+][C@@H](CC)c3ccc(OC)cc3)ccc2n1C1CC1 ZINC000549626517 568034774 /nfs/dbraw/zinc/03/47/74/568034774.db2.gz NHTPSMOEFKUBKX-FQEVSTJZSA-N 2 0 363.505 5.183 20 0 FKADRP CCc1nc2cc(C[NH2+][C@H](CC)c3ccc(OC)cc3)ccc2n1C1CC1 ZINC000549626518 568034847 /nfs/dbraw/zinc/03/48/47/568034847.db2.gz NHTPSMOEFKUBKX-HXUWFJFHSA-N 2 0 363.505 5.183 20 0 FKADRP Cc1sccc1C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000550099807 568044442 /nfs/dbraw/zinc/04/44/42/568044442.db2.gz OTDXGSZNDIPSMI-UHFFFAOYSA-N 2 0 350.531 5.075 20 0 FKADRP C[N@H+](Cc1ccccc1CNCc1c(F)cccc1F)C1CCCCC1 ZINC000550577599 568074654 /nfs/dbraw/zinc/07/46/54/568074654.db2.gz JLHPNSYCTVZVDB-UHFFFAOYSA-N 2 0 358.476 5.019 20 0 FKADRP CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000550846511 568109410 /nfs/dbraw/zinc/10/94/10/568109410.db2.gz GOGDEOBISZOHTI-FQEVSTJZSA-N 2 0 366.549 5.138 20 0 FKADRP CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000550846514 568109451 /nfs/dbraw/zinc/10/94/51/568109451.db2.gz GOGDEOBISZOHTI-HXUWFJFHSA-N 2 0 366.549 5.138 20 0 FKADRP Cc1nc(-c2cc([C@H](C)[NH2+]CCCCC[NH+]3CCCC3)cs2)cs1 ZINC000550881628 568116046 /nfs/dbraw/zinc/11/60/46/568116046.db2.gz ABBGNLYRVMQNJH-HNNXBMFYSA-N 2 0 363.596 5.097 20 0 FKADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CCCCC[NH+]3CCCC3)cs2)cs1 ZINC000550881630 568116054 /nfs/dbraw/zinc/11/60/54/568116054.db2.gz ABBGNLYRVMQNJH-OAHLLOKOSA-N 2 0 363.596 5.097 20 0 FKADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000550886982 568118257 /nfs/dbraw/zinc/11/82/57/568118257.db2.gz UXHRAAMYOMTCDP-KRWDZBQOSA-N 2 0 357.567 5.035 20 0 FKADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000550886983 568118274 /nfs/dbraw/zinc/11/82/74/568118274.db2.gz UXHRAAMYOMTCDP-QGZVFWFLSA-N 2 0 357.567 5.035 20 0 FKADRP CCC(CC)c1cc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)on1 ZINC000550911150 568119516 /nfs/dbraw/zinc/11/95/16/568119516.db2.gz YCODFDVIDOMTJQ-UHFFFAOYSA-N 2 0 369.553 5.111 20 0 FKADRP C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063487 568139037 /nfs/dbraw/zinc/13/90/37/568139037.db2.gz RBRPGLPBDKDRPV-LQGLAIQGSA-N 2 0 371.528 5.235 20 0 FKADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063488 568139085 /nfs/dbraw/zinc/13/90/85/568139085.db2.gz RBRPGLPBDKDRPV-OWAUWMPXSA-N 2 0 371.528 5.235 20 0 FKADRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063489 568139018 /nfs/dbraw/zinc/13/90/18/568139018.db2.gz RBRPGLPBDKDRPV-PNTFMKQHSA-N 2 0 371.528 5.235 20 0 FKADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000551063490 568139031 /nfs/dbraw/zinc/13/90/31/568139031.db2.gz RBRPGLPBDKDRPV-QTLGCAHFSA-N 2 0 371.528 5.235 20 0 FKADRP CC(F)(F)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000551238670 568179942 /nfs/dbraw/zinc/17/99/42/568179942.db2.gz AMJSIZYFFFXZIM-DKUWSORSSA-N 2 0 370.487 5.084 20 0 FKADRP CC(F)(F)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000551238671 568179972 /nfs/dbraw/zinc/17/99/72/568179972.db2.gz AMJSIZYFFFXZIM-KOUNCHBCSA-N 2 0 370.487 5.084 20 0 FKADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cccc2ccccc21 ZINC000551369346 568219882 /nfs/dbraw/zinc/21/98/82/568219882.db2.gz YWEPIAADIKLDNK-IBGZPJMESA-N 2 0 374.528 5.164 20 0 FKADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cccc2ccccc21 ZINC000551369347 568219850 /nfs/dbraw/zinc/21/98/50/568219850.db2.gz YWEPIAADIKLDNK-LJQANCHMSA-N 2 0 374.528 5.164 20 0 FKADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000551533495 568231601 /nfs/dbraw/zinc/23/16/01/568231601.db2.gz GZBUZTQJAUGIKK-INIZCTEOSA-N 2 0 360.929 5.040 20 0 FKADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000551533497 568231621 /nfs/dbraw/zinc/23/16/21/568231621.db2.gz GZBUZTQJAUGIKK-MRXNPFEDSA-N 2 0 360.929 5.040 20 0 FKADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551555985 568231965 /nfs/dbraw/zinc/23/19/65/568231965.db2.gz NGWWFVCYCDKHTA-HNNXBMFYSA-N 2 0 365.974 5.064 20 0 FKADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551555986 568231998 /nfs/dbraw/zinc/23/19/98/568231998.db2.gz NGWWFVCYCDKHTA-OAHLLOKOSA-N 2 0 365.974 5.064 20 0 FKADRP Clc1cccc([C@@H]([NH2+]Cc2cnc3n2CCCC3)C2CCCCC2)c1 ZINC000551811422 568250945 /nfs/dbraw/zinc/25/09/45/568250945.db2.gz BCPCMJAWVCFMGV-NRFANRHFSA-N 2 0 357.929 5.284 20 0 FKADRP Clc1cccc([C@H]([NH2+]Cc2cnc3n2CCCC3)C2CCCCC2)c1 ZINC000551811423 568250950 /nfs/dbraw/zinc/25/09/50/568250950.db2.gz BCPCMJAWVCFMGV-OAQYLSRUSA-N 2 0 357.929 5.284 20 0 FKADRP Cc1cccnc1[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000552048022 568254335 /nfs/dbraw/zinc/25/43/35/568254335.db2.gz DLZKCJAPZNTYHM-VNXZQDSDSA-N 2 0 365.565 5.120 20 0 FKADRP Cc1cccnc1[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000552048023 568254370 /nfs/dbraw/zinc/25/43/70/568254370.db2.gz DLZKCJAPZNTYHM-XPPIMPSXSA-N 2 0 365.565 5.120 20 0 FKADRP CC(C)CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccoc1 ZINC000552063752 568255215 /nfs/dbraw/zinc/25/52/15/568255215.db2.gz LIAMQPHCVHPIBR-QHCPKHFHSA-N 2 0 370.537 5.020 20 0 FKADRP CCC(CC)[C@@H]1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000552282301 568267269 /nfs/dbraw/zinc/26/72/69/568267269.db2.gz ABHBLBQOOQYPLL-KTKPDYKZSA-N 2 0 372.597 5.003 20 0 FKADRP CCC(CC)[C@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000552282302 568267329 /nfs/dbraw/zinc/26/73/29/568267329.db2.gz ABHBLBQOOQYPLL-UEUFPXFLSA-N 2 0 372.597 5.003 20 0 FKADRP CCC(CC)[C@H]1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000552282303 568267305 /nfs/dbraw/zinc/26/73/05/568267305.db2.gz ABHBLBQOOQYPLL-UGAUIIJPSA-N 2 0 372.597 5.003 20 0 FKADRP CCC(CC)[C@@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000552282304 568267280 /nfs/dbraw/zinc/26/72/80/568267280.db2.gz ABHBLBQOOQYPLL-WDTLCOQZSA-N 2 0 372.597 5.003 20 0 FKADRP CSc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1F ZINC000552555179 568271755 /nfs/dbraw/zinc/27/17/55/568271755.db2.gz KUMHETTTZYZQNS-INIZCTEOSA-N 2 0 360.542 5.239 20 0 FKADRP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1F ZINC000552555180 568271771 /nfs/dbraw/zinc/27/17/71/568271771.db2.gz KUMHETTTZYZQNS-MRXNPFEDSA-N 2 0 360.542 5.239 20 0 FKADRP FC(F)(F)c1cscc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000554977092 568407475 /nfs/dbraw/zinc/40/74/75/568407475.db2.gz JPOLLOCYTJITQK-UHFFFAOYSA-N 2 0 368.468 5.043 20 0 FKADRP CSC1(C[NH2+][C@@H](C)c2cc3c(ccc4ccccc34)o2)CC[NH+](C)CC1 ZINC000554997735 568410008 /nfs/dbraw/zinc/41/00/08/568410008.db2.gz BNCNLJDSVXIUQG-INIZCTEOSA-N 2 0 368.546 5.064 20 0 FKADRP CSC1(C[NH2+][C@H](C)c2cc3c(ccc4ccccc34)o2)CC[NH+](C)CC1 ZINC000554997736 568409996 /nfs/dbraw/zinc/40/99/96/568409996.db2.gz BNCNLJDSVXIUQG-MRXNPFEDSA-N 2 0 368.546 5.064 20 0 FKADRP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccs1 ZINC000555232585 568412160 /nfs/dbraw/zinc/41/21/60/568412160.db2.gz IMIBPQAZLCOLOE-FQCOAQKJSA-N 2 0 374.981 5.666 20 0 FKADRP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccs1 ZINC000555232586 568412214 /nfs/dbraw/zinc/41/22/14/568412214.db2.gz IMIBPQAZLCOLOE-MXPIYFSTSA-N 2 0 374.981 5.666 20 0 FKADRP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccs1 ZINC000555232587 568412193 /nfs/dbraw/zinc/41/21/93/568412193.db2.gz IMIBPQAZLCOLOE-QIOKEVSGSA-N 2 0 374.981 5.666 20 0 FKADRP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccs1 ZINC000555232588 568412149 /nfs/dbraw/zinc/41/21/49/568412149.db2.gz IMIBPQAZLCOLOE-VLCCKYJDSA-N 2 0 374.981 5.666 20 0 FKADRP Cc1ccc([C@@H](C)[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000555232726 568412207 /nfs/dbraw/zinc/41/22/07/568412207.db2.gz LHLUSCGBUXEMPE-DSSYBXBYSA-N 2 0 372.940 5.506 20 0 FKADRP Cc1ccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000555232727 568412237 /nfs/dbraw/zinc/41/22/37/568412237.db2.gz LHLUSCGBUXEMPE-GEKQFBOUSA-N 2 0 372.940 5.506 20 0 FKADRP Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000555232728 568412118 /nfs/dbraw/zinc/41/21/18/568412118.db2.gz LHLUSCGBUXEMPE-NIJYUZCSSA-N 2 0 372.940 5.506 20 0 FKADRP Cc1ccc([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000555232729 568412114 /nfs/dbraw/zinc/41/21/14/568412114.db2.gz LHLUSCGBUXEMPE-RGCNIUKASA-N 2 0 372.940 5.506 20 0 FKADRP Cc1sccc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000555586630 568421073 /nfs/dbraw/zinc/42/10/73/568421073.db2.gz ZETHKKZQEQJOOR-KRIYCRJKSA-N 2 0 374.981 5.414 20 0 FKADRP Cc1sccc1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000555586631 568421069 /nfs/dbraw/zinc/42/10/69/568421069.db2.gz ZETHKKZQEQJOOR-VCYXJBJXSA-N 2 0 374.981 5.414 20 0 FKADRP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1 ZINC000556295648 568431654 /nfs/dbraw/zinc/43/16/54/568431654.db2.gz HPVVSTNJYQEOGR-JOCHJYFZSA-N 2 0 372.940 5.054 20 0 FKADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1 ZINC000556295654 568431626 /nfs/dbraw/zinc/43/16/26/568431626.db2.gz HPVVSTNJYQEOGR-QFIPXVFZSA-N 2 0 372.940 5.054 20 0 FKADRP C[N@H+](Cc1cccc(SCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000558109606 568471828 /nfs/dbraw/zinc/47/18/28/568471828.db2.gz BFCSZXKZUHAOLA-CBQGHPETSA-N 2 0 366.574 5.036 20 0 FKADRP Cc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000558789677 568477388 /nfs/dbraw/zinc/47/73/88/568477388.db2.gz KRXLLAVPWPGIDU-VZKPYBMVSA-N 2 0 374.981 5.414 20 0 FKADRP Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000558789678 568477359 /nfs/dbraw/zinc/47/73/59/568477359.db2.gz KRXLLAVPWPGIDU-ZJVRTDGDSA-N 2 0 374.981 5.414 20 0 FKADRP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000558871855 568476810 /nfs/dbraw/zinc/47/68/10/568476810.db2.gz XPAXZHZANAASTK-BFTUFISMSA-N 2 0 368.952 5.605 20 0 FKADRP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000558871859 568476768 /nfs/dbraw/zinc/47/67/68/568476768.db2.gz XPAXZHZANAASTK-PNJPCPQFSA-N 2 0 368.952 5.605 20 0 FKADRP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000558871861 568476762 /nfs/dbraw/zinc/47/67/62/568476762.db2.gz XPAXZHZANAASTK-SQCUUSGMSA-N 2 0 368.952 5.605 20 0 FKADRP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000558871862 568476755 /nfs/dbraw/zinc/47/67/55/568476755.db2.gz XPAXZHZANAASTK-ZCYFJUBSSA-N 2 0 368.952 5.605 20 0 FKADRP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccoc1 ZINC000558968277 568488938 /nfs/dbraw/zinc/48/89/38/568488938.db2.gz LOALARXODQVYML-RHVDRVBNSA-N 2 0 358.913 5.198 20 0 FKADRP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccoc1 ZINC000558968278 568489048 /nfs/dbraw/zinc/48/90/48/568489048.db2.gz LOALARXODQVYML-RPYAVSSWSA-N 2 0 358.913 5.198 20 0 FKADRP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccoc1 ZINC000558968279 568488979 /nfs/dbraw/zinc/48/89/79/568488979.db2.gz LOALARXODQVYML-YEUANBQQSA-N 2 0 358.913 5.198 20 0 FKADRP C[N@@H+]1CC[C@H](N[C@@H](CC(F)(F)F)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559741094 568494943 /nfs/dbraw/zinc/49/49/43/568494943.db2.gz OTWCXQLEYQKIIN-UFYCRDLUSA-N 2 0 362.439 5.105 20 0 FKADRP C[N@@H+]1CC[C@H](N[C@H](CC(F)(F)F)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559741096 568494992 /nfs/dbraw/zinc/49/49/92/568494992.db2.gz OTWCXQLEYQKIIN-XUVXKRRUSA-N 2 0 362.439 5.105 20 0 FKADRP C[N@@H+]1CC[C@H](N[C@H](CC(F)(F)F)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559741098 568494980 /nfs/dbraw/zinc/49/49/80/568494980.db2.gz OTWCXQLEYQKIIN-ZCNNSNEGSA-N 2 0 362.439 5.105 20 0 FKADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)c2ccccc21 ZINC000559766332 568490158 /nfs/dbraw/zinc/49/01/58/568490158.db2.gz CHGBRVYWWHGHKY-HNNXBMFYSA-N 2 0 354.444 5.030 20 0 FKADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)c2ccccc21 ZINC000559766333 568490079 /nfs/dbraw/zinc/49/00/79/568490079.db2.gz CHGBRVYWWHGHKY-OAHLLOKOSA-N 2 0 354.444 5.030 20 0 FKADRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(Cl)c1 ZINC000559872042 568500796 /nfs/dbraw/zinc/50/07/96/568500796.db2.gz YERUGPUFOSZAMP-KRWDZBQOSA-N 2 0 372.940 5.013 20 0 FKADRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(Cl)c1 ZINC000559872146 568500749 /nfs/dbraw/zinc/50/07/49/568500749.db2.gz YERUGPUFOSZAMP-QGZVFWFLSA-N 2 0 372.940 5.013 20 0 FKADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCC2CC(OC(C)(C)C)C2)CC1 ZINC000559899795 568504197 /nfs/dbraw/zinc/50/41/97/568504197.db2.gz MIZDINNFDOYGAS-UHFFFAOYSA-N 2 0 372.597 5.003 20 0 FKADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000559905011 568501461 /nfs/dbraw/zinc/50/14/61/568501461.db2.gz SCRAPBNXSOGIQM-UHFFFAOYSA-N 2 0 358.476 5.157 20 0 FKADRP CCCC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000560263672 568523216 /nfs/dbraw/zinc/52/32/16/568523216.db2.gz YLSQXRDYZQQKLJ-DEOSSOPVSA-N 2 0 366.549 5.181 20 0 FKADRP CCCC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000560263673 568523237 /nfs/dbraw/zinc/52/32/37/568523237.db2.gz YLSQXRDYZQQKLJ-XMMPIXPASA-N 2 0 366.549 5.181 20 0 FKADRP C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(Oc2ccccc2)c(F)c1 ZINC000560267477 568530242 /nfs/dbraw/zinc/53/02/42/568530242.db2.gz PSIZYUROPLIXNN-INIZCTEOSA-N 2 0 365.452 5.002 20 0 FKADRP C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(Oc2ccccc2)c(F)c1 ZINC000560267481 568530164 /nfs/dbraw/zinc/53/01/64/568530164.db2.gz PSIZYUROPLIXNN-MRXNPFEDSA-N 2 0 365.452 5.002 20 0 FKADRP C[C@H](CCCC(F)(F)F)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000560545825 568547131 /nfs/dbraw/zinc/54/71/31/568547131.db2.gz XNLNRTSXCZRIDY-IPJUCJBFSA-N 2 0 356.476 5.140 20 0 FKADRP C[C@@H](CCCC(F)(F)F)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000560545835 568547063 /nfs/dbraw/zinc/54/70/63/568547063.db2.gz XNLNRTSXCZRIDY-IVMQYODDSA-N 2 0 356.476 5.140 20 0 FKADRP